Program PWSCF v.5.1.1 starts on 28Jun2015 at 9:29:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SBr.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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 21 6 2165 1603 234 Max 26 22 7 2178 1620 252 Sum 1239 1019 289 104353 77421 11945 bravais-lattice index = 14 lattice parameter (alat) = 8.1053 a.u. unit-cell volume = 1620.5625 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 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)= 8.105304 celldm(2)= 1.000000 celldm(3)= 3.145151 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.252313 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.252313 0.967646 0.000000 ) a(3) = ( 0.000000 0.000000 3.145151 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.260749 -0.000000 ) b(2) = ( 0.000000 1.033436 -0.000000 ) b(3) = ( 0.000000 0.000000 0.317950 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /home/autes/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 S 6.00 32.06500 S( 1.00) Br 7.00 79.90400 Br( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 336 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 2) = ( 0.0083179 0.0107650 -0.0000000), wk = 0.0029762 k( 3) = ( 0.0166359 0.0215299 -0.0000000), wk = 0.0029762 k( 4) = ( 0.0249538 0.0322949 -0.0000000), wk = 0.0029762 k( 5) = ( 0.0332718 0.0430598 -0.0000000), wk = 0.0029762 k( 6) = ( 0.0415897 0.0538248 -0.0000000), wk = 0.0029762 k( 7) = ( 0.0499077 0.0645898 -0.0000000), wk = 0.0029762 k( 8) = ( 0.0582256 0.0753547 -0.0000000), wk = 0.0029762 k( 9) = ( 0.0665436 0.0861197 -0.0000000), wk = 0.0029762 k( 10) = ( 0.0748615 0.0968846 -0.0000000), wk = 0.0029762 k( 11) = ( 0.0831795 0.1076496 -0.0000000), wk = 0.0029762 k( 12) = ( 0.0914974 0.1184145 -0.0000000), wk = 0.0029762 k( 13) = ( 0.0998153 0.1291795 -0.0000000), wk = 0.0029762 k( 14) = ( 0.1081333 0.1399445 -0.0000000), wk = 0.0029762 k( 15) = ( 0.1164512 0.1507094 -0.0000000), wk = 0.0029762 k( 16) = ( 0.1247692 0.1614744 -0.0000000), wk = 0.0029762 k( 17) = ( 0.1330871 0.1722393 -0.0000000), wk = 0.0029762 k( 18) = ( 0.1414051 0.1830043 -0.0000000), wk = 0.0029762 k( 19) = ( 0.1497230 0.1937693 -0.0000000), wk = 0.0029762 k( 20) = ( 0.1580410 0.2045342 -0.0000000), wk = 0.0029762 k( 21) = ( 0.1663589 0.2152992 -0.0000000), wk = 0.0029762 k( 22) = ( 0.1746768 0.2260641 -0.0000000), wk = 0.0029762 k( 23) = ( 0.1829948 0.2368291 -0.0000000), wk = 0.0029762 k( 24) = ( 0.1913127 0.2475940 -0.0000000), wk = 0.0029762 k( 25) = ( 0.1996307 0.2583590 -0.0000000), wk = 0.0029762 k( 26) = ( 0.2079486 0.2691240 -0.0000000), wk = 0.0029762 k( 27) = ( 0.2162666 0.2798889 -0.0000000), wk = 0.0029762 k( 28) = ( 0.2245845 0.2906539 -0.0000000), wk = 0.0029762 k( 29) = ( 0.2329025 0.3014188 -0.0000000), wk = 0.0029762 k( 30) = ( 0.2412204 0.3121838 -0.0000000), wk = 0.0029762 k( 31) = ( 0.2495383 0.3229488 -0.0000000), wk = 0.0029762 k( 32) = ( 0.2578563 0.3337137 -0.0000000), wk = 0.0029762 k( 33) = ( 0.2661742 0.3444787 -0.0000000), wk = 0.0029762 k( 34) = ( 0.2744922 0.3552436 -0.0000000), wk = 0.0029762 k( 35) = ( 0.2828101 0.3660086 -0.0000000), wk = 0.0029762 k( 36) = ( 0.2911281 0.3767736 -0.0000000), wk = 0.0029762 k( 37) = ( 0.2994460 0.3875385 -0.0000000), wk = 0.0029762 k( 38) = ( 0.3077640 0.3983035 -0.0000000), wk = 0.0029762 k( 39) = ( 0.3160819 0.4090684 -0.0000000), wk = 0.0029762 k( 40) = ( 0.3243998 0.4198334 -0.0000000), wk = 0.0029762 k( 41) = ( 0.3327178 0.4305983 -0.0000000), wk = 0.0029762 k( 42) = ( 0.3410357 0.4413633 -0.0000000), wk = 0.0029762 k( 43) = ( 0.3493537 0.4521283 -0.0000000), wk = 0.0029762 k( 44) = ( 0.3576716 0.4628932 -0.0000000), wk = 0.0029762 k( 45) = ( 0.3659896 0.4736582 -0.0000000), wk = 0.0029762 k( 46) = ( 0.3743075 0.4844231 -0.0000000), wk = 0.0029762 k( 47) = ( 0.3826254 0.4951881 -0.0000000), wk = 0.0029762 k( 48) = ( 0.3909434 0.5059530 -0.0000000), wk = 0.0029762 k( 49) = ( 0.3992613 0.5167180 -0.0000000), wk = 0.0029762 k( 50) = ( 0.3992613 0.5167180 -0.0000000), wk = 0.0029762 k( 51) = ( 0.3859526 0.5167180 -0.0000000), wk = 0.0029762 k( 52) = ( 0.3726439 0.5167180 -0.0000000), wk = 0.0029762 k( 53) = ( 0.3593352 0.5167180 -0.0000000), wk = 0.0029762 k( 54) = ( 0.3460265 0.5167180 -0.0000000), wk = 0.0029762 k( 55) = ( 0.3327178 0.5167180 -0.0000000), wk = 0.0029762 k( 56) = ( 0.3194091 0.5167180 -0.0000000), wk = 0.0029762 k( 57) = ( 0.3061004 0.5167180 -0.0000000), wk = 0.0029762 k( 58) = ( 0.2927917 0.5167180 -0.0000000), wk = 0.0029762 k( 59) = ( 0.2794829 0.5167180 -0.0000000), wk = 0.0029762 k( 60) = ( 0.2661742 0.5167180 -0.0000000), wk = 0.0029762 k( 61) = ( 0.2528655 0.5167180 -0.0000000), wk = 0.0029762 k( 62) = ( 0.2395568 0.5167180 -0.0000000), wk = 0.0029762 k( 63) = ( 0.2262481 0.5167180 -0.0000000), wk = 0.0029762 k( 64) = ( 0.2129394 0.5167180 -0.0000000), wk = 0.0029762 k( 65) = ( 0.1996307 0.5167180 -0.0000000), wk = 0.0029762 k( 66) = ( 0.1863220 0.5167180 -0.0000000), wk = 0.0029762 k( 67) = ( 0.1730133 0.5167180 -0.0000000), wk = 0.0029762 k( 68) = ( 0.1597045 0.5167180 -0.0000000), wk = 0.0029762 k( 69) = ( 0.1463958 0.5167180 -0.0000000), wk = 0.0029762 k( 70) = ( 0.1330871 0.5167180 -0.0000000), wk = 0.0029762 k( 71) = ( 0.1197784 0.5167180 -0.0000000), wk = 0.0029762 k( 72) = ( 0.1064697 0.5167180 -0.0000000), wk = 0.0029762 k( 73) = ( 0.0931610 0.5167180 -0.0000000), wk = 0.0029762 k( 74) = ( 0.0798523 0.5167180 -0.0000000), wk = 0.0029762 k( 75) = ( 0.0665436 0.5167180 -0.0000000), wk = 0.0029762 k( 76) = ( 0.0532348 0.5167180 -0.0000000), wk = 0.0029762 k( 77) = ( 0.0399261 0.5167180 -0.0000000), wk = 0.0029762 k( 78) = ( 0.0266174 0.5167180 -0.0000000), wk = 0.0029762 k( 79) = ( 0.0133087 0.5167180 -0.0000000), wk = 0.0029762 k( 80) = ( 0.0000000 0.5167180 -0.0000000), wk = 0.0029762 k( 81) = ( 0.0000000 0.5167180 -0.0000000), wk = 0.0029762 k( 82) = ( 0.0000000 0.5167180 0.0132479), wk = 0.0029762 k( 83) = ( 0.0000000 0.5167180 0.0264958), wk = 0.0029762 k( 84) = ( 0.0000000 0.5167180 0.0397437), wk = 0.0029762 k( 85) = ( 0.0000000 0.5167180 0.0529916), wk = 0.0029762 k( 86) = ( 0.0000000 0.5167180 0.0662395), wk = 0.0029762 k( 87) = ( 0.0000000 0.5167180 0.0794874), wk = 0.0029762 k( 88) = ( 0.0000000 0.5167180 0.0927354), wk = 0.0029762 k( 89) = ( 0.0000000 0.5167180 0.1059833), wk = 0.0029762 k( 90) = ( 0.0000000 0.5167180 0.1192312), wk = 0.0029762 k( 91) = ( 0.0000000 0.5167180 0.1324791), wk = 0.0029762 k( 92) = ( 0.0000000 0.5167180 0.1457270), wk = 0.0029762 k( 93) = ( 0.0000000 0.5167180 0.1589749), wk = 0.0029762 k( 94) = ( 0.0000000 0.5167180 0.1589749), wk = 0.0029762 k( 95) = ( 0.0133087 0.5167180 0.1589749), wk = 0.0029762 k( 96) = ( 0.0266174 0.5167180 0.1589749), wk = 0.0029762 k( 97) = ( 0.0399261 0.5167180 0.1589749), wk = 0.0029762 k( 98) = ( 0.0532348 0.5167180 0.1589749), wk = 0.0029762 k( 99) = ( 0.0665436 0.5167180 0.1589749), wk = 0.0029762 k( 100) = ( 0.0798523 0.5167180 0.1589749), wk = 0.0029762 k( 101) = ( 0.0931610 0.5167180 0.1589749), wk = 0.0029762 k( 102) = ( 0.1064697 0.5167180 0.1589749), wk = 0.0029762 k( 103) = ( 0.1197784 0.5167180 0.1589749), wk = 0.0029762 k( 104) = ( 0.1330871 0.5167180 0.1589749), wk = 0.0029762 k( 105) = ( 0.1463958 0.5167180 0.1589749), wk = 0.0029762 k( 106) = ( 0.1597045 0.5167180 0.1589749), wk = 0.0029762 k( 107) = ( 0.1730133 0.5167180 0.1589749), wk = 0.0029762 k( 108) = ( 0.1863220 0.5167180 0.1589749), wk = 0.0029762 k( 109) = ( 0.1996307 0.5167180 0.1589749), wk = 0.0029762 k( 110) = ( 0.2129394 0.5167180 0.1589749), wk = 0.0029762 k( 111) = ( 0.2262481 0.5167180 0.1589749), wk = 0.0029762 k( 112) = ( 0.2395568 0.5167180 0.1589749), wk = 0.0029762 k( 113) = ( 0.2528655 0.5167180 0.1589749), wk = 0.0029762 k( 114) = ( 0.2661742 0.5167180 0.1589749), wk = 0.0029762 k( 115) = ( 0.2794829 0.5167180 0.1589749), wk = 0.0029762 k( 116) = ( 0.2927917 0.5167180 0.1589749), wk = 0.0029762 k( 117) = ( 0.3061004 0.5167180 0.1589749), wk = 0.0029762 k( 118) = ( 0.3194091 0.5167180 0.1589749), wk = 0.0029762 k( 119) = ( 0.3327178 0.5167180 0.1589749), wk = 0.0029762 k( 120) = ( 0.3460265 0.5167180 0.1589749), wk = 0.0029762 k( 121) = ( 0.3593352 0.5167180 0.1589749), wk = 0.0029762 k( 122) = ( 0.3726439 0.5167180 0.1589749), wk = 0.0029762 k( 123) = ( 0.3859526 0.5167180 0.1589749), wk = 0.0029762 k( 124) = ( 0.3992613 0.5167180 0.1589749), wk = 0.0029762 k( 125) = ( 0.3992613 0.5167180 0.1589749), wk = 0.0029762 k( 126) = ( 0.3909434 0.5059530 0.1589749), wk = 0.0029762 k( 127) = ( 0.3826254 0.4951881 0.1589749), wk = 0.0029762 k( 128) = ( 0.3743075 0.4844231 0.1589749), wk = 0.0029762 k( 129) = ( 0.3659896 0.4736582 0.1589749), wk = 0.0029762 k( 130) = ( 0.3576716 0.4628932 0.1589749), wk = 0.0029762 k( 131) = ( 0.3493537 0.4521283 0.1589749), wk = 0.0029762 k( 132) = ( 0.3410357 0.4413633 0.1589749), wk = 0.0029762 k( 133) = ( 0.3327178 0.4305983 0.1589749), wk = 0.0029762 k( 134) = ( 0.3243998 0.4198334 0.1589749), wk = 0.0029762 k( 135) = ( 0.3160819 0.4090684 0.1589749), wk = 0.0029762 k( 136) = ( 0.3077640 0.3983035 0.1589749), wk = 0.0029762 k( 137) = ( 0.2994460 0.3875385 0.1589749), wk = 0.0029762 k( 138) = ( 0.2911281 0.3767736 0.1589749), wk = 0.0029762 k( 139) = ( 0.2828101 0.3660086 0.1589749), wk = 0.0029762 k( 140) = ( 0.2744922 0.3552436 0.1589749), wk = 0.0029762 k( 141) = ( 0.2661742 0.3444787 0.1589749), wk = 0.0029762 k( 142) = ( 0.2578563 0.3337137 0.1589749), wk = 0.0029762 k( 143) = ( 0.2495383 0.3229488 0.1589749), wk = 0.0029762 k( 144) = ( 0.2412204 0.3121838 0.1589749), wk = 0.0029762 k( 145) = ( 0.2329025 0.3014188 0.1589749), wk = 0.0029762 k( 146) = ( 0.2245845 0.2906539 0.1589749), wk = 0.0029762 k( 147) = ( 0.2162666 0.2798889 0.1589749), wk = 0.0029762 k( 148) = ( 0.2079486 0.2691240 0.1589749), wk = 0.0029762 k( 149) = ( 0.1996307 0.2583590 0.1589749), wk = 0.0029762 k( 150) = ( 0.1913127 0.2475940 0.1589749), wk = 0.0029762 k( 151) = ( 0.1829948 0.2368291 0.1589749), wk = 0.0029762 k( 152) = ( 0.1746768 0.2260641 0.1589749), wk = 0.0029762 k( 153) = ( 0.1663589 0.2152992 0.1589749), wk = 0.0029762 k( 154) = ( 0.1580410 0.2045342 0.1589749), wk = 0.0029762 k( 155) = ( 0.1497230 0.1937693 0.1589749), wk = 0.0029762 k( 156) = ( 0.1414051 0.1830043 0.1589749), wk = 0.0029762 k( 157) = ( 0.1330871 0.1722393 0.1589749), wk = 0.0029762 k( 158) = ( 0.1247692 0.1614744 0.1589749), wk = 0.0029762 k( 159) = ( 0.1164512 0.1507094 0.1589749), wk = 0.0029762 k( 160) = ( 0.1081333 0.1399445 0.1589749), wk = 0.0029762 k( 161) = ( 0.0998153 0.1291795 0.1589749), wk = 0.0029762 k( 162) = ( 0.0914974 0.1184145 0.1589749), wk = 0.0029762 k( 163) = ( 0.0831795 0.1076496 0.1589749), wk = 0.0029762 k( 164) = ( 0.0748615 0.0968846 0.1589749), wk = 0.0029762 k( 165) = ( 0.0665436 0.0861197 0.1589749), wk = 0.0029762 k( 166) = ( 0.0582256 0.0753547 0.1589749), wk = 0.0029762 k( 167) = ( 0.0499077 0.0645898 0.1589749), wk = 0.0029762 k( 168) = ( 0.0415897 0.0538248 0.1589749), wk = 0.0029762 k( 169) = ( 0.0332718 0.0430598 0.1589749), wk = 0.0029762 k( 170) = ( 0.0249538 0.0322949 0.1589749), wk = 0.0029762 k( 171) = ( 0.0166359 0.0215299 0.1589749), wk = 0.0029762 k( 172) = ( 0.0083179 0.0107650 0.1589749), wk = 0.0029762 k( 173) = ( 0.0000000 0.0000000 0.1589749), wk = 0.0029762 k( 174) = ( 0.0000000 0.0000000 0.1589749), wk = 0.0029762 k( 175) = ( 0.0000000 0.0000000 0.1457270), wk = 0.0029762 k( 176) = ( 0.0000000 0.0000000 0.1324791), wk = 0.0029762 k( 177) = ( 0.0000000 0.0000000 0.1192312), wk = 0.0029762 k( 178) = ( 0.0000000 0.0000000 0.1059833), wk = 0.0029762 k( 179) = ( 0.0000000 0.0000000 0.0927354), wk = 0.0029762 k( 180) = ( 0.0000000 0.0000000 0.0794874), wk = 0.0029762 k( 181) = ( 0.0000000 0.0000000 0.0662395), wk = 0.0029762 k( 182) = ( 0.0000000 0.0000000 0.0529916), wk = 0.0029762 k( 183) = ( 0.0000000 0.0000000 0.0397437), wk = 0.0029762 k( 184) = ( 0.0000000 0.0000000 0.0264958), wk = 0.0029762 k( 185) = ( 0.0000000 0.0000000 0.0132479), wk = 0.0029762 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 188) = ( -0.0106383 0.0082201 0.0000000), wk = 0.0029762 k( 189) = ( -0.0212766 0.0164402 0.0000000), wk = 0.0029762 k( 190) = ( -0.0319149 0.0246602 0.0000000), wk = 0.0029762 k( 191) = ( -0.0425532 0.0328803 0.0000000), wk = 0.0029762 k( 192) = ( -0.0531915 0.0411004 0.0000000), wk = 0.0029762 k( 193) = ( -0.0638298 0.0493205 0.0000000), wk = 0.0029762 k( 194) = ( -0.0744681 0.0575405 0.0000000), wk = 0.0029762 k( 195) = ( -0.0851064 0.0657606 0.0000000), wk = 0.0029762 k( 196) = ( -0.0957447 0.0739807 0.0000000), wk = 0.0029762 k( 197) = ( -0.1063830 0.0822008 0.0000000), wk = 0.0029762 k( 198) = ( -0.1170213 0.0904208 0.0000000), wk = 0.0029762 k( 199) = ( -0.1276596 0.0986409 0.0000000), wk = 0.0029762 k( 200) = ( -0.1382979 0.1068610 0.0000000), wk = 0.0029762 k( 201) = ( -0.1489362 0.1150811 0.0000000), wk = 0.0029762 k( 202) = ( -0.1595745 0.1233011 0.0000000), wk = 0.0029762 k( 203) = ( -0.1702128 0.1315212 0.0000000), wk = 0.0029762 k( 204) = ( -0.1808511 0.1397413 0.0000000), wk = 0.0029762 k( 205) = ( -0.1914894 0.1479614 0.0000000), wk = 0.0029762 k( 206) = ( -0.2021277 0.1561814 0.0000000), wk = 0.0029762 k( 207) = ( -0.2127660 0.1644015 0.0000000), wk = 0.0029762 k( 208) = ( -0.2234043 0.1726216 0.0000000), wk = 0.0029762 k( 209) = ( -0.2340425 0.1808417 0.0000000), wk = 0.0029762 k( 210) = ( -0.2446809 0.1890617 0.0000000), wk = 0.0029762 k( 211) = ( -0.2553191 0.1972818 0.0000000), wk = 0.0029762 k( 212) = ( -0.2659574 0.2055019 0.0000000), wk = 0.0029762 k( 213) = ( -0.2765957 0.2137220 0.0000000), wk = 0.0029762 k( 214) = ( -0.2872340 0.2219420 0.0000000), wk = 0.0029762 k( 215) = ( -0.2978723 0.2301621 0.0000000), wk = 0.0029762 k( 216) = ( -0.3085106 0.2383822 0.0000000), wk = 0.0029762 k( 217) = ( -0.3191489 0.2466023 0.0000000), wk = 0.0029762 k( 218) = ( -0.3297872 0.2548223 0.0000000), wk = 0.0029762 k( 219) = ( -0.3404255 0.2630424 0.0000000), wk = 0.0029762 k( 220) = ( -0.3510638 0.2712625 0.0000000), wk = 0.0029762 k( 221) = ( -0.3617021 0.2794826 0.0000000), wk = 0.0029762 k( 222) = ( -0.3723404 0.2877026 0.0000000), wk = 0.0029762 k( 223) = ( -0.3829787 0.2959227 0.0000000), wk = 0.0029762 k( 224) = ( -0.3936170 0.3041428 0.0000000), wk = 0.0029762 k( 225) = ( -0.4042553 0.3123629 0.0000000), wk = 0.0029762 k( 226) = ( -0.4148936 0.3205829 0.0000000), wk = 0.0029762 k( 227) = ( -0.4255319 0.3288030 0.0000000), wk = 0.0029762 k( 228) = ( -0.4361702 0.3370231 0.0000000), wk = 0.0029762 k( 229) = ( -0.4468085 0.3452432 0.0000000), wk = 0.0029762 k( 230) = ( -0.4574468 0.3534632 0.0000000), wk = 0.0029762 k( 231) = ( -0.4680851 0.3616833 0.0000000), wk = 0.0029762 k( 232) = ( -0.4787234 0.3699034 0.0000000), wk = 0.0029762 k( 233) = ( -0.4893617 0.3781235 0.0000000), wk = 0.0029762 k( 234) = ( -0.5000000 0.3863435 0.0000000), wk = 0.0029762 k( 235) = ( -0.5000000 0.3863435 0.0000000), wk = 0.0029762 k( 236) = ( -0.4922509 0.3963724 -0.0000000), wk = 0.0029762 k( 237) = ( -0.4845017 0.4064012 -0.0000000), wk = 0.0029762 k( 238) = ( -0.4767526 0.4164300 -0.0000000), wk = 0.0029762 k( 239) = ( -0.4690035 0.4264588 -0.0000000), wk = 0.0029762 k( 240) = ( -0.4612544 0.4364876 -0.0000000), wk = 0.0029762 k( 241) = ( -0.4535052 0.4465164 -0.0000000), wk = 0.0029762 k( 242) = ( -0.4457561 0.4565452 -0.0000000), wk = 0.0029762 k( 243) = ( -0.4380070 0.4665740 -0.0000000), wk = 0.0029762 k( 244) = ( -0.4302578 0.4766028 -0.0000000), wk = 0.0029762 k( 245) = ( -0.4225087 0.4866316 -0.0000000), wk = 0.0029762 k( 246) = ( -0.4147596 0.4966604 -0.0000000), wk = 0.0029762 k( 247) = ( -0.4070105 0.5066892 -0.0000000), wk = 0.0029762 k( 248) = ( -0.3992613 0.5167180 -0.0000000), wk = 0.0029762 k( 249) = ( -0.3992613 0.5167180 -0.0000000), wk = 0.0029762 k( 250) = ( -0.3992613 0.5167180 0.0132479), wk = 0.0029762 k( 251) = ( -0.3992613 0.5167180 0.0264958), wk = 0.0029762 k( 252) = ( -0.3992613 0.5167180 0.0397437), wk = 0.0029762 k( 253) = ( -0.3992613 0.5167180 0.0529916), wk = 0.0029762 k( 254) = ( -0.3992613 0.5167180 0.0662395), wk = 0.0029762 k( 255) = ( -0.3992613 0.5167180 0.0794874), wk = 0.0029762 k( 256) = ( -0.3992613 0.5167180 0.0927354), wk = 0.0029762 k( 257) = ( -0.3992613 0.5167180 0.1059833), wk = 0.0029762 k( 258) = ( -0.3992613 0.5167180 0.1192312), wk = 0.0029762 k( 259) = ( -0.3992613 0.5167180 0.1324791), wk = 0.0029762 k( 260) = ( -0.3992613 0.5167180 0.1457270), wk = 0.0029762 k( 261) = ( -0.3992613 0.5167180 0.1589749), wk = 0.0029762 k( 262) = ( -0.3992613 0.5167180 0.1589749), wk = 0.0029762 k( 263) = ( -0.4070105 0.5066892 0.1589749), wk = 0.0029762 k( 264) = ( -0.4147596 0.4966604 0.1589749), wk = 0.0029762 k( 265) = ( -0.4225087 0.4866316 0.1589749), wk = 0.0029762 k( 266) = ( -0.4302578 0.4766028 0.1589749), wk = 0.0029762 k( 267) = ( -0.4380070 0.4665740 0.1589749), wk = 0.0029762 k( 268) = ( -0.4457561 0.4565452 0.1589749), wk = 0.0029762 k( 269) = ( -0.4535052 0.4465164 0.1589749), wk = 0.0029762 k( 270) = ( -0.4612544 0.4364876 0.1589749), wk = 0.0029762 k( 271) = ( -0.4690035 0.4264588 0.1589749), wk = 0.0029762 k( 272) = ( -0.4767526 0.4164300 0.1589749), wk = 0.0029762 k( 273) = ( -0.4845017 0.4064012 0.1589749), wk = 0.0029762 k( 274) = ( -0.4922509 0.3963724 0.1589749), wk = 0.0029762 k( 275) = ( -0.5000000 0.3863435 0.1589749), wk = 0.0029762 k( 276) = ( -0.5000000 0.3863435 0.1589749), wk = 0.0029762 k( 277) = ( -0.5000000 0.3863435 0.1457270), wk = 0.0029762 k( 278) = ( -0.5000000 0.3863435 0.1324791), wk = 0.0029762 k( 279) = ( -0.5000000 0.3863435 0.1192312), wk = 0.0029762 k( 280) = ( -0.5000000 0.3863435 0.1059833), wk = 0.0029762 k( 281) = ( -0.5000000 0.3863435 0.0927354), wk = 0.0029762 k( 282) = ( -0.5000000 0.3863435 0.0794874), wk = 0.0029762 k( 283) = ( -0.5000000 0.3863435 0.0662395), wk = 0.0029762 k( 284) = ( -0.5000000 0.3863435 0.0529916), wk = 0.0029762 k( 285) = ( -0.5000000 0.3863435 0.0397437), wk = 0.0029762 k( 286) = ( -0.5000000 0.3863435 0.0264958), wk = 0.0029762 k( 287) = ( -0.5000000 0.3863435 0.0132479), wk = 0.0029762 k( 288) = ( -0.5000000 0.3863435 0.0000000), wk = 0.0029762 k( 289) = ( 0.0000000 0.0000000 0.1589749), wk = 0.0029762 k( 290) = ( -0.0106383 0.0082201 0.1589749), wk = 0.0029762 k( 291) = ( -0.0212766 0.0164402 0.1589749), wk = 0.0029762 k( 292) = ( -0.0319149 0.0246602 0.1589749), wk = 0.0029762 k( 293) = ( -0.0425532 0.0328803 0.1589749), wk = 0.0029762 k( 294) = ( -0.0531915 0.0411004 0.1589749), wk = 0.0029762 k( 295) = ( -0.0638298 0.0493205 0.1589749), wk = 0.0029762 k( 296) = ( -0.0744681 0.0575405 0.1589749), wk = 0.0029762 k( 297) = ( -0.0851064 0.0657606 0.1589749), wk = 0.0029762 k( 298) = ( -0.0957447 0.0739807 0.1589749), wk = 0.0029762 k( 299) = ( -0.1063830 0.0822008 0.1589749), wk = 0.0029762 k( 300) = ( -0.1170213 0.0904208 0.1589749), wk = 0.0029762 k( 301) = ( -0.1276596 0.0986409 0.1589749), wk = 0.0029762 k( 302) = ( -0.1382979 0.1068610 0.1589749), wk = 0.0029762 k( 303) = ( -0.1489362 0.1150811 0.1589749), wk = 0.0029762 k( 304) = ( -0.1595745 0.1233011 0.1589749), wk = 0.0029762 k( 305) = ( -0.1702128 0.1315212 0.1589749), wk = 0.0029762 k( 306) = ( -0.1808511 0.1397413 0.1589749), wk = 0.0029762 k( 307) = ( -0.1914894 0.1479614 0.1589749), wk = 0.0029762 k( 308) = ( -0.2021277 0.1561814 0.1589749), wk = 0.0029762 k( 309) = ( -0.2127660 0.1644015 0.1589749), wk = 0.0029762 k( 310) = ( -0.2234043 0.1726216 0.1589749), wk = 0.0029762 k( 311) = ( -0.2340425 0.1808417 0.1589749), wk = 0.0029762 k( 312) = ( -0.2446809 0.1890617 0.1589749), wk = 0.0029762 k( 313) = ( -0.2553191 0.1972818 0.1589749), wk = 0.0029762 k( 314) = ( -0.2659574 0.2055019 0.1589749), wk = 0.0029762 k( 315) = ( -0.2765957 0.2137220 0.1589749), wk = 0.0029762 k( 316) = ( -0.2872340 0.2219420 0.1589749), wk = 0.0029762 k( 317) = ( -0.2978723 0.2301621 0.1589749), wk = 0.0029762 k( 318) = ( -0.3085106 0.2383822 0.1589749), wk = 0.0029762 k( 319) = ( -0.3191489 0.2466023 0.1589749), wk = 0.0029762 k( 320) = ( -0.3297872 0.2548223 0.1589749), wk = 0.0029762 k( 321) = ( -0.3404255 0.2630424 0.1589749), wk = 0.0029762 k( 322) = ( -0.3510638 0.2712625 0.1589749), wk = 0.0029762 k( 323) = ( -0.3617021 0.2794826 0.1589749), wk = 0.0029762 k( 324) = ( -0.3723404 0.2877026 0.1589749), wk = 0.0029762 k( 325) = ( -0.3829787 0.2959227 0.1589749), wk = 0.0029762 k( 326) = ( -0.3936170 0.3041428 0.1589749), wk = 0.0029762 k( 327) = ( -0.4042553 0.3123629 0.1589749), wk = 0.0029762 k( 328) = ( -0.4148936 0.3205829 0.1589749), wk = 0.0029762 k( 329) = ( -0.4255319 0.3288030 0.1589749), wk = 0.0029762 k( 330) = ( -0.4361702 0.3370231 0.1589749), wk = 0.0029762 k( 331) = ( -0.4468085 0.3452432 0.1589749), wk = 0.0029762 k( 332) = ( -0.4574468 0.3534632 0.1589749), wk = 0.0029762 k( 333) = ( -0.4680851 0.3616833 0.1589749), wk = 0.0029762 k( 334) = ( -0.4787234 0.3699034 0.1589749), wk = 0.0029762 k( 335) = ( -0.4893617 0.3781235 0.1589749), wk = 0.0029762 k( 336) = ( -0.5000000 0.3863435 0.1589749), wk = 0.0029762 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 2) = ( 0.0083179 0.0083179 0.0000000), wk = 0.0029762 k( 3) = ( 0.0166359 0.0166359 0.0000000), wk = 0.0029762 k( 4) = ( 0.0249538 0.0249538 0.0000000), wk = 0.0029762 k( 5) = ( 0.0332718 0.0332718 0.0000000), wk = 0.0029762 k( 6) = ( 0.0415897 0.0415897 0.0000000), wk = 0.0029762 k( 7) = ( 0.0499077 0.0499077 0.0000000), wk = 0.0029762 k( 8) = ( 0.0582256 0.0582256 0.0000000), wk = 0.0029762 k( 9) = ( 0.0665436 0.0665436 0.0000000), wk = 0.0029762 k( 10) = ( 0.0748615 0.0748615 0.0000000), wk = 0.0029762 k( 11) = ( 0.0831795 0.0831795 0.0000000), wk = 0.0029762 k( 12) = ( 0.0914974 0.0914974 0.0000000), wk = 0.0029762 k( 13) = ( 0.0998153 0.0998153 0.0000000), wk = 0.0029762 k( 14) = ( 0.1081333 0.1081333 0.0000000), wk = 0.0029762 k( 15) = ( 0.1164512 0.1164512 0.0000000), wk = 0.0029762 k( 16) = ( 0.1247692 0.1247692 0.0000000), wk = 0.0029762 k( 17) = ( 0.1330871 0.1330871 0.0000000), wk = 0.0029762 k( 18) = ( 0.1414051 0.1414051 0.0000000), wk = 0.0029762 k( 19) = ( 0.1497230 0.1497230 0.0000000), wk = 0.0029762 k( 20) = ( 0.1580410 0.1580409 0.0000000), wk = 0.0029762 k( 21) = ( 0.1663589 0.1663589 0.0000000), wk = 0.0029762 k( 22) = ( 0.1746768 0.1746768 0.0000000), wk = 0.0029762 k( 23) = ( 0.1829948 0.1829948 0.0000000), wk = 0.0029762 k( 24) = ( 0.1913127 0.1913127 0.0000000), wk = 0.0029762 k( 25) = ( 0.1996307 0.1996307 0.0000000), wk = 0.0029762 k( 26) = ( 0.2079486 0.2079486 0.0000000), wk = 0.0029762 k( 27) = ( 0.2162666 0.2162666 0.0000000), wk = 0.0029762 k( 28) = ( 0.2245845 0.2245845 0.0000000), wk = 0.0029762 k( 29) = ( 0.2329025 0.2329024 0.0000000), wk = 0.0029762 k( 30) = ( 0.2412204 0.2412204 0.0000000), wk = 0.0029762 k( 31) = ( 0.2495383 0.2495383 0.0000000), wk = 0.0029762 k( 32) = ( 0.2578563 0.2578563 0.0000000), wk = 0.0029762 k( 33) = ( 0.2661742 0.2661742 0.0000000), wk = 0.0029762 k( 34) = ( 0.2744922 0.2744922 0.0000000), wk = 0.0029762 k( 35) = ( 0.2828101 0.2828101 0.0000000), wk = 0.0029762 k( 36) = ( 0.2911281 0.2911281 0.0000000), wk = 0.0029762 k( 37) = ( 0.2994460 0.2994460 0.0000000), wk = 0.0029762 k( 38) = ( 0.3077640 0.3077639 0.0000000), wk = 0.0029762 k( 39) = ( 0.3160819 0.3160819 0.0000000), wk = 0.0029762 k( 40) = ( 0.3243998 0.3243998 0.0000000), wk = 0.0029762 k( 41) = ( 0.3327178 0.3327178 0.0000000), wk = 0.0029762 k( 42) = ( 0.3410357 0.3410357 0.0000000), wk = 0.0029762 k( 43) = ( 0.3493537 0.3493537 0.0000000), wk = 0.0029762 k( 44) = ( 0.3576716 0.3576716 0.0000000), wk = 0.0029762 k( 45) = ( 0.3659896 0.3659896 0.0000000), wk = 0.0029762 k( 46) = ( 0.3743075 0.3743075 0.0000000), wk = 0.0029762 k( 47) = ( 0.3826254 0.3826254 0.0000000), wk = 0.0029762 k( 48) = ( 0.3909434 0.3909434 0.0000000), wk = 0.0029762 k( 49) = ( 0.3992613 0.3992613 0.0000000), wk = 0.0029762 k( 50) = ( 0.3992613 0.3992613 0.0000000), wk = 0.0029762 k( 51) = ( 0.3859526 0.4026193 -0.0000000), wk = 0.0029762 k( 52) = ( 0.3726439 0.4059772 0.0000000), wk = 0.0029762 k( 53) = ( 0.3593352 0.4093352 0.0000000), wk = 0.0029762 k( 54) = ( 0.3460265 0.4126932 0.0000000), wk = 0.0029762 k( 55) = ( 0.3327178 0.4160511 0.0000000), wk = 0.0029762 k( 56) = ( 0.3194091 0.4194091 0.0000000), wk = 0.0029762 k( 57) = ( 0.3061004 0.4227670 -0.0000000), wk = 0.0029762 k( 58) = ( 0.2927917 0.4261250 0.0000000), wk = 0.0029762 k( 59) = ( 0.2794829 0.4294829 0.0000000), wk = 0.0029762 k( 60) = ( 0.2661742 0.4328409 0.0000000), wk = 0.0029762 k( 61) = ( 0.2528655 0.4361988 0.0000000), wk = 0.0029762 k( 62) = ( 0.2395568 0.4395568 0.0000000), wk = 0.0029762 k( 63) = ( 0.2262481 0.4429148 0.0000000), wk = 0.0029762 k( 64) = ( 0.2129394 0.4462727 0.0000000), wk = 0.0029762 k( 65) = ( 0.1996307 0.4496307 0.0000000), wk = 0.0029762 k( 66) = ( 0.1863220 0.4529886 0.0000000), wk = 0.0029762 k( 67) = ( 0.1730133 0.4563466 0.0000000), wk = 0.0029762 k( 68) = ( 0.1597045 0.4597045 0.0000000), wk = 0.0029762 k( 69) = ( 0.1463958 0.4630625 0.0000000), wk = 0.0029762 k( 70) = ( 0.1330871 0.4664204 0.0000000), wk = 0.0029762 k( 71) = ( 0.1197784 0.4697784 0.0000000), wk = 0.0029762 k( 72) = ( 0.1064697 0.4731364 0.0000000), wk = 0.0029762 k( 73) = ( 0.0931610 0.4764943 0.0000000), wk = 0.0029762 k( 74) = ( 0.0798523 0.4798523 0.0000000), wk = 0.0029762 k( 75) = ( 0.0665436 0.4832102 0.0000000), wk = 0.0029762 k( 76) = ( 0.0532348 0.4865682 0.0000000), wk = 0.0029762 k( 77) = ( 0.0399261 0.4899261 0.0000000), wk = 0.0029762 k( 78) = ( 0.0266174 0.4932841 0.0000000), wk = 0.0029762 k( 79) = ( 0.0133087 0.4966420 -0.0000000), wk = 0.0029762 k( 80) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029762 k( 81) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029762 k( 82) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0029762 k( 83) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0029762 k( 84) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0029762 k( 85) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0029762 k( 86) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0029762 k( 87) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029762 k( 88) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0029762 k( 89) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0029762 k( 90) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0029762 k( 91) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0029762 k( 92) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0029762 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029762 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029762 k( 95) = ( 0.0133087 0.4966420 0.5000000), wk = 0.0029762 k( 96) = ( 0.0266174 0.4932841 0.5000000), wk = 0.0029762 k( 97) = ( 0.0399261 0.4899261 0.5000000), wk = 0.0029762 k( 98) = ( 0.0532348 0.4865682 0.5000000), wk = 0.0029762 k( 99) = ( 0.0665436 0.4832102 0.5000000), wk = 0.0029762 k( 100) = ( 0.0798523 0.4798523 0.5000000), wk = 0.0029762 k( 101) = ( 0.0931610 0.4764943 0.5000000), wk = 0.0029762 k( 102) = ( 0.1064697 0.4731364 0.5000000), wk = 0.0029762 k( 103) = ( 0.1197784 0.4697784 0.5000000), wk = 0.0029762 k( 104) = ( 0.1330871 0.4664204 0.5000000), wk = 0.0029762 k( 105) = ( 0.1463958 0.4630625 0.5000000), wk = 0.0029762 k( 106) = ( 0.1597045 0.4597045 0.5000000), wk = 0.0029762 k( 107) = ( 0.1730133 0.4563466 0.5000000), wk = 0.0029762 k( 108) = ( 0.1863220 0.4529886 0.5000000), wk = 0.0029762 k( 109) = ( 0.1996307 0.4496307 0.5000000), wk = 0.0029762 k( 110) = ( 0.2129394 0.4462727 0.5000000), wk = 0.0029762 k( 111) = ( 0.2262481 0.4429148 0.5000000), wk = 0.0029762 k( 112) = ( 0.2395568 0.4395568 0.5000000), wk = 0.0029762 k( 113) = ( 0.2528655 0.4361988 0.5000000), wk = 0.0029762 k( 114) = ( 0.2661742 0.4328409 0.5000000), wk = 0.0029762 k( 115) = ( 0.2794829 0.4294829 0.5000000), wk = 0.0029762 k( 116) = ( 0.2927917 0.4261250 0.5000000), wk = 0.0029762 k( 117) = ( 0.3061004 0.4227670 0.5000000), wk = 0.0029762 k( 118) = ( 0.3194091 0.4194091 0.5000000), wk = 0.0029762 k( 119) = ( 0.3327178 0.4160511 0.5000000), wk = 0.0029762 k( 120) = ( 0.3460265 0.4126932 0.5000000), wk = 0.0029762 k( 121) = ( 0.3593352 0.4093352 0.5000000), wk = 0.0029762 k( 122) = ( 0.3726439 0.4059772 0.5000000), wk = 0.0029762 k( 123) = ( 0.3859526 0.4026193 0.5000000), wk = 0.0029762 k( 124) = ( 0.3992613 0.3992613 0.5000000), wk = 0.0029762 k( 125) = ( 0.3992613 0.3992613 0.5000000), wk = 0.0029762 k( 126) = ( 0.3909434 0.3909434 0.5000000), wk = 0.0029762 k( 127) = ( 0.3826254 0.3826254 0.5000000), wk = 0.0029762 k( 128) = ( 0.3743075 0.3743075 0.5000000), wk = 0.0029762 k( 129) = ( 0.3659896 0.3659896 0.5000000), wk = 0.0029762 k( 130) = ( 0.3576716 0.3576716 0.5000000), wk = 0.0029762 k( 131) = ( 0.3493537 0.3493537 0.5000000), wk = 0.0029762 k( 132) = ( 0.3410357 0.3410357 0.5000000), wk = 0.0029762 k( 133) = ( 0.3327178 0.3327178 0.5000000), wk = 0.0029762 k( 134) = ( 0.3243998 0.3243998 0.5000000), wk = 0.0029762 k( 135) = ( 0.3160819 0.3160819 0.5000000), wk = 0.0029762 k( 136) = ( 0.3077640 0.3077639 0.5000000), wk = 0.0029762 k( 137) = ( 0.2994460 0.2994460 0.5000000), wk = 0.0029762 k( 138) = ( 0.2911281 0.2911281 0.5000000), wk = 0.0029762 k( 139) = ( 0.2828101 0.2828101 0.5000000), wk = 0.0029762 k( 140) = ( 0.2744922 0.2744922 0.5000000), wk = 0.0029762 k( 141) = ( 0.2661742 0.2661742 0.5000000), wk = 0.0029762 k( 142) = ( 0.2578563 0.2578563 0.5000000), wk = 0.0029762 k( 143) = ( 0.2495383 0.2495383 0.5000000), wk = 0.0029762 k( 144) = ( 0.2412204 0.2412204 0.5000000), wk = 0.0029762 k( 145) = ( 0.2329025 0.2329024 0.5000000), wk = 0.0029762 k( 146) = ( 0.2245845 0.2245845 0.5000000), wk = 0.0029762 k( 147) = ( 0.2162666 0.2162666 0.5000000), wk = 0.0029762 k( 148) = ( 0.2079486 0.2079486 0.5000000), wk = 0.0029762 k( 149) = ( 0.1996307 0.1996307 0.5000000), wk = 0.0029762 k( 150) = ( 0.1913127 0.1913127 0.5000000), wk = 0.0029762 k( 151) = ( 0.1829948 0.1829948 0.5000000), wk = 0.0029762 k( 152) = ( 0.1746768 0.1746768 0.5000000), wk = 0.0029762 k( 153) = ( 0.1663589 0.1663589 0.5000000), wk = 0.0029762 k( 154) = ( 0.1580410 0.1580409 0.5000000), wk = 0.0029762 k( 155) = ( 0.1497230 0.1497230 0.5000000), wk = 0.0029762 k( 156) = ( 0.1414051 0.1414051 0.5000000), wk = 0.0029762 k( 157) = ( 0.1330871 0.1330871 0.5000000), wk = 0.0029762 k( 158) = ( 0.1247692 0.1247692 0.5000000), wk = 0.0029762 k( 159) = ( 0.1164512 0.1164512 0.5000000), wk = 0.0029762 k( 160) = ( 0.1081333 0.1081333 0.5000000), wk = 0.0029762 k( 161) = ( 0.0998153 0.0998153 0.5000000), wk = 0.0029762 k( 162) = ( 0.0914974 0.0914974 0.5000000), wk = 0.0029762 k( 163) = ( 0.0831795 0.0831795 0.5000000), wk = 0.0029762 k( 164) = ( 0.0748615 0.0748615 0.5000000), wk = 0.0029762 k( 165) = ( 0.0665436 0.0665436 0.5000000), wk = 0.0029762 k( 166) = ( 0.0582256 0.0582256 0.5000000), wk = 0.0029762 k( 167) = ( 0.0499077 0.0499077 0.5000000), wk = 0.0029762 k( 168) = ( 0.0415897 0.0415897 0.5000000), wk = 0.0029762 k( 169) = ( 0.0332718 0.0332718 0.5000000), wk = 0.0029762 k( 170) = ( 0.0249538 0.0249538 0.5000000), wk = 0.0029762 k( 171) = ( 0.0166359 0.0166359 0.5000000), wk = 0.0029762 k( 172) = ( 0.0083179 0.0083179 0.5000000), wk = 0.0029762 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 175) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0029762 k( 176) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029762 k( 177) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029762 k( 178) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029762 k( 179) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0029762 k( 180) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029762 k( 181) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0029762 k( 182) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029762 k( 183) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029762 k( 184) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029762 k( 185) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0029762 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 188) = ( -0.0106383 0.0106383 -0.0000000), wk = 0.0029762 k( 189) = ( -0.0212766 0.0212766 -0.0000000), wk = 0.0029762 k( 190) = ( -0.0319149 0.0319149 0.0000000), wk = 0.0029762 k( 191) = ( -0.0425532 0.0425532 0.0000000), wk = 0.0029762 k( 192) = ( -0.0531915 0.0531915 0.0000000), wk = 0.0029762 k( 193) = ( -0.0638298 0.0638298 0.0000000), wk = 0.0029762 k( 194) = ( -0.0744681 0.0744681 -0.0000000), wk = 0.0029762 k( 195) = ( -0.0851064 0.0851064 0.0000000), wk = 0.0029762 k( 196) = ( -0.0957447 0.0957447 0.0000000), wk = 0.0029762 k( 197) = ( -0.1063830 0.1063830 0.0000000), wk = 0.0029762 k( 198) = ( -0.1170213 0.1170213 -0.0000000), wk = 0.0029762 k( 199) = ( -0.1276596 0.1276596 0.0000000), wk = 0.0029762 k( 200) = ( -0.1382979 0.1382979 0.0000000), wk = 0.0029762 k( 201) = ( -0.1489362 0.1489362 0.0000000), wk = 0.0029762 k( 202) = ( -0.1595745 0.1595745 -0.0000000), wk = 0.0029762 k( 203) = ( -0.1702128 0.1702128 0.0000000), wk = 0.0029762 k( 204) = ( -0.1808511 0.1808511 0.0000000), wk = 0.0029762 k( 205) = ( -0.1914894 0.1914894 0.0000000), wk = 0.0029762 k( 206) = ( -0.2021277 0.2021277 0.0000000), wk = 0.0029762 k( 207) = ( -0.2127660 0.2127660 0.0000000), wk = 0.0029762 k( 208) = ( -0.2234043 0.2234043 0.0000000), wk = 0.0029762 k( 209) = ( -0.2340425 0.2340425 0.0000000), wk = 0.0029762 k( 210) = ( -0.2446809 0.2446808 0.0000000), wk = 0.0029762 k( 211) = ( -0.2553191 0.2553191 0.0000000), wk = 0.0029762 k( 212) = ( -0.2659574 0.2659574 0.0000000), wk = 0.0029762 k( 213) = ( -0.2765957 0.2765957 0.0000000), wk = 0.0029762 k( 214) = ( -0.2872340 0.2872340 0.0000000), wk = 0.0029762 k( 215) = ( -0.2978723 0.2978723 0.0000000), wk = 0.0029762 k( 216) = ( -0.3085106 0.3085106 -0.0000000), wk = 0.0029762 k( 217) = ( -0.3191489 0.3191489 -0.0000000), wk = 0.0029762 k( 218) = ( -0.3297872 0.3297872 0.0000000), wk = 0.0029762 k( 219) = ( -0.3404255 0.3404255 -0.0000000), wk = 0.0029762 k( 220) = ( -0.3510638 0.3510638 -0.0000000), wk = 0.0029762 k( 221) = ( -0.3617021 0.3617021 0.0000000), wk = 0.0029762 k( 222) = ( -0.3723404 0.3723404 0.0000000), wk = 0.0029762 k( 223) = ( -0.3829787 0.3829787 0.0000000), wk = 0.0029762 k( 224) = ( -0.3936170 0.3936170 0.0000000), wk = 0.0029762 k( 225) = ( -0.4042553 0.4042553 0.0000000), wk = 0.0029762 k( 226) = ( -0.4148936 0.4148936 -0.0000000), wk = 0.0029762 k( 227) = ( -0.4255319 0.4255319 0.0000000), wk = 0.0029762 k( 228) = ( -0.4361702 0.4361702 0.0000000), wk = 0.0029762 k( 229) = ( -0.4468085 0.4468085 0.0000000), wk = 0.0029762 k( 230) = ( -0.4574468 0.4574468 0.0000000), wk = 0.0029762 k( 231) = ( -0.4680851 0.4680851 0.0000000), wk = 0.0029762 k( 232) = ( -0.4787234 0.4787234 0.0000000), wk = 0.0029762 k( 233) = ( -0.4893617 0.4893617 0.0000000), wk = 0.0029762 k( 234) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029762 k( 235) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029762 k( 236) = ( -0.4922509 0.5077491 -0.0000000), wk = 0.0029762 k( 237) = ( -0.4845017 0.5154983 0.0000000), wk = 0.0029762 k( 238) = ( -0.4767526 0.5232474 -0.0000000), wk = 0.0029762 k( 239) = ( -0.4690035 0.5309965 -0.0000000), wk = 0.0029762 k( 240) = ( -0.4612544 0.5387456 -0.0000000), wk = 0.0029762 k( 241) = ( -0.4535052 0.5464948 0.0000000), wk = 0.0029762 k( 242) = ( -0.4457561 0.5542439 0.0000000), wk = 0.0029762 k( 243) = ( -0.4380070 0.5619930 0.0000000), wk = 0.0029762 k( 244) = ( -0.4302578 0.5697421 0.0000000), wk = 0.0029762 k( 245) = ( -0.4225087 0.5774913 -0.0000000), wk = 0.0029762 k( 246) = ( -0.4147596 0.5852404 -0.0000000), wk = 0.0029762 k( 247) = ( -0.4070105 0.5929895 -0.0000000), wk = 0.0029762 k( 248) = ( -0.3992613 0.6007387 0.0000000), wk = 0.0029762 k( 249) = ( -0.3992613 0.6007387 0.0000000), wk = 0.0029762 k( 250) = ( -0.3992613 0.6007387 0.0416667), wk = 0.0029762 k( 251) = ( -0.3992613 0.6007387 0.0833333), wk = 0.0029762 k( 252) = ( -0.3992613 0.6007387 0.1250000), wk = 0.0029762 k( 253) = ( -0.3992613 0.6007387 0.1666667), wk = 0.0029762 k( 254) = ( -0.3992613 0.6007387 0.2083333), wk = 0.0029762 k( 255) = ( -0.3992613 0.6007387 0.2500000), wk = 0.0029762 k( 256) = ( -0.3992613 0.6007387 0.2916667), wk = 0.0029762 k( 257) = ( -0.3992613 0.6007387 0.3333333), wk = 0.0029762 k( 258) = ( -0.3992613 0.6007387 0.3750000), wk = 0.0029762 k( 259) = ( -0.3992613 0.6007387 0.4166667), wk = 0.0029762 k( 260) = ( -0.3992613 0.6007387 0.4583333), wk = 0.0029762 k( 261) = ( -0.3992613 0.6007387 0.5000000), wk = 0.0029762 k( 262) = ( -0.3992613 0.6007387 0.5000000), wk = 0.0029762 k( 263) = ( -0.4070105 0.5929895 0.5000000), wk = 0.0029762 k( 264) = ( -0.4147596 0.5852404 0.5000000), wk = 0.0029762 k( 265) = ( -0.4225087 0.5774913 0.5000000), wk = 0.0029762 k( 266) = ( -0.4302578 0.5697421 0.5000000), wk = 0.0029762 k( 267) = ( -0.4380070 0.5619930 0.5000000), wk = 0.0029762 k( 268) = ( -0.4457561 0.5542439 0.5000000), wk = 0.0029762 k( 269) = ( -0.4535052 0.5464948 0.5000000), wk = 0.0029762 k( 270) = ( -0.4612544 0.5387456 0.5000000), wk = 0.0029762 k( 271) = ( -0.4690035 0.5309965 0.5000000), wk = 0.0029762 k( 272) = ( -0.4767526 0.5232474 0.5000000), wk = 0.0029762 k( 273) = ( -0.4845017 0.5154983 0.5000000), wk = 0.0029762 k( 274) = ( -0.4922509 0.5077491 0.5000000), wk = 0.0029762 k( 275) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029762 k( 276) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029762 k( 277) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0029762 k( 278) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0029762 k( 279) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0029762 k( 280) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0029762 k( 281) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0029762 k( 282) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0029762 k( 283) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0029762 k( 284) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0029762 k( 285) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0029762 k( 286) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0029762 k( 287) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0029762 k( 288) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029762 k( 289) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 290) = ( -0.0106383 0.0106383 0.5000000), wk = 0.0029762 k( 291) = ( -0.0212766 0.0212766 0.5000000), wk = 0.0029762 k( 292) = ( -0.0319149 0.0319149 0.5000000), wk = 0.0029762 k( 293) = ( -0.0425532 0.0425532 0.5000000), wk = 0.0029762 k( 294) = ( -0.0531915 0.0531915 0.5000000), wk = 0.0029762 k( 295) = ( -0.0638298 0.0638298 0.5000000), wk = 0.0029762 k( 296) = ( -0.0744681 0.0744681 0.5000000), wk = 0.0029762 k( 297) = ( -0.0851064 0.0851064 0.5000000), wk = 0.0029762 k( 298) = ( -0.0957447 0.0957447 0.5000000), wk = 0.0029762 k( 299) = ( -0.1063830 0.1063830 0.5000000), wk = 0.0029762 k( 300) = ( -0.1170213 0.1170213 0.5000000), wk = 0.0029762 k( 301) = ( -0.1276596 0.1276596 0.5000000), wk = 0.0029762 k( 302) = ( -0.1382979 0.1382979 0.5000000), wk = 0.0029762 k( 303) = ( -0.1489362 0.1489362 0.5000000), wk = 0.0029762 k( 304) = ( -0.1595745 0.1595745 0.5000000), wk = 0.0029762 k( 305) = ( -0.1702128 0.1702128 0.5000000), wk = 0.0029762 k( 306) = ( -0.1808511 0.1808511 0.5000000), wk = 0.0029762 k( 307) = ( -0.1914894 0.1914894 0.5000000), wk = 0.0029762 k( 308) = ( -0.2021277 0.2021277 0.5000000), wk = 0.0029762 k( 309) = ( -0.2127660 0.2127660 0.5000000), wk = 0.0029762 k( 310) = ( -0.2234043 0.2234043 0.5000000), wk = 0.0029762 k( 311) = ( -0.2340425 0.2340425 0.5000000), wk = 0.0029762 k( 312) = ( -0.2446809 0.2446808 0.5000000), wk = 0.0029762 k( 313) = ( -0.2553191 0.2553191 0.5000000), wk = 0.0029762 k( 314) = ( -0.2659574 0.2659574 0.5000000), wk = 0.0029762 k( 315) = ( -0.2765957 0.2765957 0.5000000), wk = 0.0029762 k( 316) = ( -0.2872340 0.2872340 0.5000000), wk = 0.0029762 k( 317) = ( -0.2978723 0.2978723 0.5000000), wk = 0.0029762 k( 318) = ( -0.3085106 0.3085106 0.5000000), wk = 0.0029762 k( 319) = ( -0.3191489 0.3191489 0.5000000), wk = 0.0029762 k( 320) = ( -0.3297872 0.3297872 0.5000000), wk = 0.0029762 k( 321) = ( -0.3404255 0.3404255 0.5000000), wk = 0.0029762 k( 322) = ( -0.3510638 0.3510638 0.5000000), wk = 0.0029762 k( 323) = ( -0.3617021 0.3617021 0.5000000), wk = 0.0029762 k( 324) = ( -0.3723404 0.3723404 0.5000000), wk = 0.0029762 k( 325) = ( -0.3829787 0.3829787 0.5000000), wk = 0.0029762 k( 326) = ( -0.3936170 0.3936170 0.5000000), wk = 0.0029762 k( 327) = ( -0.4042553 0.4042553 0.5000000), wk = 0.0029762 k( 328) = ( -0.4148936 0.4148936 0.5000000), wk = 0.0029762 k( 329) = ( -0.4255319 0.4255319 0.5000000), wk = 0.0029762 k( 330) = ( -0.4361702 0.4361702 0.5000000), wk = 0.0029762 k( 331) = ( -0.4468085 0.4468085 0.5000000), wk = 0.0029762 k( 332) = ( -0.4574468 0.4574468 0.5000000), wk = 0.0029762 k( 333) = ( -0.4680851 0.4680851 0.5000000), wk = 0.0029762 k( 334) = ( -0.4787234 0.4787234 0.5000000), wk = 0.0029762 k( 335) = ( -0.4893617 0.4893617 0.5000000), wk = 0.0029762 k( 336) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029762 Dense grid: 104353 G-vectors FFT dimensions: ( 45, 45, 128) Smooth grid: 77421 G-vectors FFT dimensions: ( 40, 40, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 404, 62) NL pseudopotentials 0.59 Mb ( 202, 192) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2174) G-vector shells 0.01 Mb ( 1091) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.53 Mb ( 404, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.36 Mb ( 192, 2, 62) The potential is recalculated from file : ./SBr.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.3 secs Computing kpt #: 2 total cpu time spent up to now is 47.1 secs Computing kpt #: 3 total cpu time spent up to now is 50.9 secs Computing kpt #: 4 total cpu time spent up to now is 55.7 secs Computing kpt #: 5 total cpu time spent up to now is 59.5 secs Computing kpt #: 6 total cpu time spent up to now is 63.4 secs Computing kpt #: 7 total cpu time spent up to now is 67.2 secs Computing kpt #: 8 total cpu time spent up to now is 70.9 secs Computing kpt #: 9 total cpu time spent up to now is 74.7 secs Computing kpt #: 10 total cpu time spent up to now is 79.3 secs Computing kpt #: 11 total cpu time spent up to now is 84.0 secs Computing kpt #: 12 total cpu time spent up to now is 88.8 secs Computing kpt #: 13 total cpu time spent up to now is 92.6 secs Computing kpt #: 14 total cpu time spent up to now is 96.4 secs Computing kpt #: 15 total cpu time spent up to now is 100.2 secs Computing kpt #: 16 total cpu time spent up to now is 104.0 secs Computing kpt #: 17 total cpu time spent up to now is 108.4 secs Computing kpt #: 18 total cpu time spent up to now is 112.7 secs Computing kpt #: 19 total cpu time spent up to now is 116.9 secs Computing kpt #: 20 total cpu time spent up to now is 121.8 secs Computing kpt #: 21 total cpu time spent up to now is 127.2 secs Computing kpt #: 22 total cpu time spent up to now is 131.0 secs Computing kpt #: 23 total cpu time spent up to now is 135.0 secs Computing kpt #: 24 total cpu time spent up to now is 139.4 secs Computing kpt #: 25 total cpu time spent up to now is 143.4 secs Computing kpt #: 26 total cpu time spent up to now is 147.4 secs Computing kpt #: 27 total cpu time spent up to now is 151.5 secs Computing kpt #: 28 total cpu time spent up to now is 155.8 secs Computing kpt #: 29 total cpu time spent up to now is 160.4 secs Computing kpt #: 30 total cpu time spent up to now is 164.8 secs Computing kpt #: 31 total cpu time spent up to now is 169.3 secs Computing kpt #: 32 total cpu time spent up to now is 173.7 secs Computing kpt #: 33 total cpu time spent up to now is 177.5 secs Computing kpt #: 34 total cpu time spent up to now is 181.5 secs Computing kpt #: 35 total cpu time spent up to now is 185.6 secs Computing kpt #: 36 total cpu time spent up to now is 191.2 secs Computing kpt #: 37 total cpu time spent up to now is 195.9 secs Computing kpt #: 38 total cpu time spent up to now is 200.4 secs Computing kpt #: 39 total cpu time spent up to now is 204.6 secs Computing kpt #: 40 total cpu time spent up to now is 209.3 secs Computing kpt #: 41 total cpu time spent up to now is 213.9 secs Computing kpt #: 42 total cpu time spent up to now is 218.5 secs Computing kpt #: 43 total cpu time spent up to now is 222.3 secs Computing kpt #: 44 total cpu time spent up to now is 226.1 secs Computing kpt #: 45 total cpu time spent up to now is 230.7 secs Computing kpt #: 46 total cpu time spent up to now is 234.6 secs Computing kpt #: 47 total cpu time spent up to now is 238.4 secs Computing kpt #: 48 total cpu time spent up to now is 242.7 secs Computing kpt #: 49 total cpu time spent up to now is 246.7 secs Computing kpt #: 50 total cpu time spent up to now is 251.1 secs Computing kpt #: 51 total cpu time spent up to now is 255.4 secs Computing kpt #: 52 total cpu time spent up to now is 259.9 secs Computing kpt #: 53 total cpu time spent up to now is 265.5 secs Computing kpt #: 54 total cpu time spent up to now is 269.6 secs Computing kpt #: 55 total cpu time spent up to now is 273.4 secs Computing kpt #: 56 total cpu time spent up to now is 278.1 secs Computing kpt #: 57 total cpu time spent up to now is 281.8 secs Computing kpt #: 58 total cpu time spent up to now is 286.2 secs Computing kpt #: 59 total cpu time spent up to now is 290.0 secs Computing kpt #: 60 total cpu time spent up to now is 294.0 secs Computing kpt #: 61 total cpu time spent up to now is 298.3 secs Computing kpt #: 62 total cpu time spent up to now is 302.5 secs Computing kpt #: 63 total cpu time spent up to now is 306.6 secs Computing kpt #: 64 total cpu time spent up to now is 310.3 secs Computing kpt #: 65 total cpu time spent up to now is 314.0 secs Computing kpt #: 66 total cpu time spent up to now is 317.9 secs Computing kpt #: 67 total cpu time spent up to now is 321.7 secs Computing kpt #: 68 total cpu time spent up to now is 326.3 secs Computing kpt #: 69 total cpu time spent up to now is 330.1 secs Computing kpt #: 70 total cpu time spent up to now is 334.1 secs Computing kpt #: 71 total cpu time spent up to now is 338.1 secs Computing kpt #: 72 total cpu time spent up to now is 342.3 secs Computing kpt #: 73 total cpu time spent up to now is 347.2 secs Computing kpt #: 74 total cpu time spent up to now is 352.1 secs Computing kpt #: 75 total cpu time spent up to now is 355.9 secs Computing kpt #: 76 total cpu time spent up to now is 359.9 secs Computing kpt #: 77 total cpu time spent up to now is 364.0 secs Computing kpt #: 78 total cpu time spent up to now is 368.1 secs Computing kpt #: 79 total cpu time spent up to now is 372.6 secs Computing kpt #: 80 total cpu time spent up to now is 378.1 secs Computing kpt #: 81 total cpu time spent up to now is 382.7 secs Computing kpt #: 82 total cpu time spent up to now is 387.3 secs Computing kpt #: 83 total cpu time spent up to now is 391.8 secs Computing kpt #: 84 total cpu time spent up to now is 396.6 secs Computing kpt #: 85 total cpu time spent up to now is 400.9 secs Computing kpt #: 86 total cpu time spent up to now is 405.0 secs Computing kpt #: 87 total cpu time spent up to now is 409.5 secs Computing kpt #: 88 total cpu time spent up to now is 413.8 secs Computing kpt #: 89 total cpu time spent up to now is 418.7 secs Computing kpt #: 90 total cpu time spent up to now is 425.2 secs Computing kpt #: 91 total cpu time spent up to now is 429.4 secs Computing kpt #: 92 total cpu time spent up to now is 434.3 secs Computing kpt #: 93 total cpu time spent up to now is 438.3 secs Computing kpt #: 94 total cpu time spent up to now is 442.6 secs Computing kpt #: 95 total cpu time spent up to now is 447.3 secs Computing kpt #: 96 total cpu time spent up to now is 451.8 secs Computing kpt #: 97 total cpu time spent up to now is 457.1 secs Computing kpt #: 98 total cpu time spent up to now is 460.9 secs Computing kpt #: 99 total cpu time spent up to now is 464.9 secs Computing kpt #: 100 total cpu time spent up to now is 468.7 secs Computing kpt #: 101 total cpu time spent up to now is 473.1 secs Computing kpt #: 102 total cpu time spent up to now is 477.1 secs Computing kpt #: 103 total cpu time spent up to now is 482.2 secs Computing kpt #: 104 total cpu time spent up to now is 486.4 secs Computing kpt #: 105 total cpu time spent up to now is 490.7 secs Computing kpt #: 106 total cpu time spent up to now is 496.2 secs Computing kpt #: 107 total cpu time spent up to now is 500.3 secs Computing kpt #: 108 total cpu time spent up to now is 504.4 secs Computing kpt #: 109 total cpu time spent up to now is 509.1 secs Computing kpt #: 110 total cpu time spent up to now is 513.4 secs Computing kpt #: 111 total cpu time spent up to now is 518.6 secs Computing kpt #: 112 total cpu time spent up to now is 522.7 secs Computing kpt #: 113 total cpu time spent up to now is 526.7 secs Computing kpt #: 114 total cpu time spent up to now is 531.0 secs Computing kpt #: 115 total cpu time spent up to now is 535.1 secs Computing kpt #: 116 total cpu time spent up to now is 539.7 secs Computing kpt #: 117 total cpu time spent up to now is 544.0 secs Computing kpt #: 118 total cpu time spent up to now is 548.1 secs Computing kpt #: 119 total cpu time spent up to now is 552.4 secs Computing kpt #: 120 total cpu time spent up to now is 556.2 secs Computing kpt #: 121 total cpu time spent up to now is 560.3 secs Computing kpt #: 122 total cpu time spent up to now is 564.8 secs Computing kpt #: 123 total cpu time spent up to now is 569.0 secs Computing kpt #: 124 total cpu time spent up to now is 573.6 secs Computing kpt #: 125 total cpu time spent up to now is 578.4 secs Computing kpt #: 126 total cpu time spent up to now is 582.9 secs Computing kpt #: 127 total cpu time spent up to now is 587.1 secs Computing kpt #: 128 total cpu time spent up to now is 591.2 secs Computing kpt #: 129 total cpu time spent up to now is 595.3 secs Computing kpt #: 130 total cpu time spent up to now is 600.3 secs Computing kpt #: 131 total cpu time spent up to now is 607.4 secs Computing kpt #: 132 total cpu time spent up to now is 611.9 secs Computing kpt #: 133 total cpu time spent up to now is 616.5 secs Computing kpt #: 134 total cpu time spent up to now is 620.7 secs Computing kpt #: 135 total cpu time spent up to now is 625.2 secs Computing kpt #: 136 total cpu time spent up to now is 629.4 secs Computing kpt #: 137 total cpu time spent up to now is 633.2 secs Computing kpt #: 138 total cpu time spent up to now is 637.2 secs Computing kpt #: 139 total cpu time spent up to now is 641.7 secs Computing kpt #: 140 total cpu time spent up to now is 645.8 secs Computing kpt #: 141 total cpu time spent up to now is 649.9 secs Computing kpt #: 142 total cpu time spent up to now is 653.7 secs Computing kpt #: 143 total cpu time spent up to now is 658.0 secs Computing kpt #: 144 total cpu time spent up to now is 661.8 secs Computing kpt #: 145 total cpu time spent up to now is 667.1 secs Computing kpt #: 146 total cpu time spent up to now is 671.4 secs Computing kpt #: 147 total cpu time spent up to now is 676.6 secs Computing kpt #: 148 total cpu time spent up to now is 681.2 secs Computing kpt #: 149 total cpu time spent up to now is 685.9 secs Computing kpt #: 150 total cpu time spent up to now is 690.3 secs Computing kpt #: 151 total cpu time spent up to now is 694.7 secs Computing kpt #: 152 total cpu time spent up to now is 699.4 secs Computing kpt #: 153 total cpu time spent up to now is 704.2 secs Computing kpt #: 154 total cpu time spent up to now is 710.7 secs Computing kpt #: 155 total cpu time spent up to now is 715.0 secs Computing kpt #: 156 total cpu time spent up to now is 719.3 secs Computing kpt #: 157 total cpu time spent up to now is 724.2 secs Computing kpt #: 158 total cpu time spent up to now is 728.7 secs Computing kpt #: 159 total cpu time spent up to now is 733.2 secs Computing kpt #: 160 total cpu time spent up to now is 739.1 secs Computing kpt #: 161 total cpu time spent up to now is 743.5 secs Computing kpt #: 162 total cpu time spent up to now is 748.2 secs Computing kpt #: 163 total cpu time spent up to now is 752.5 secs Computing kpt #: 164 total cpu time spent up to now is 757.0 secs Computing kpt #: 165 total cpu time spent up to now is 761.3 secs Computing kpt #: 166 total cpu time spent up to now is 766.5 secs Computing kpt #: 167 total cpu time spent up to now is 771.6 secs Computing kpt #: 168 total cpu time spent up to now is 776.5 secs Computing kpt #: 169 total cpu time spent up to now is 781.0 secs Computing kpt #: 170 total cpu time spent up to now is 785.5 secs Computing kpt #: 171 total cpu time spent up to now is 790.2 secs Computing kpt #: 172 total cpu time spent up to now is 795.1 secs Computing kpt #: 173 total cpu time spent up to now is 799.8 secs Computing kpt #: 174 total cpu time spent up to now is 804.3 secs Computing kpt #: 175 total cpu time spent up to now is 809.4 secs Computing kpt #: 176 total cpu time spent up to now is 813.6 secs Computing kpt #: 177 total cpu time spent up to now is 817.9 secs Computing kpt #: 178 total cpu time spent up to now is 822.4 secs Computing kpt #: 179 total cpu time spent up to now is 826.3 secs Computing kpt #: 180 total cpu time spent up to now is 830.9 secs Computing kpt #: 181 total cpu time spent up to now is 834.8 secs Computing kpt #: 182 total cpu time spent up to now is 839.0 secs Computing kpt #: 183 total cpu time spent up to now is 844.9 secs Computing kpt #: 184 total cpu time spent up to now is 849.7 secs Computing kpt #: 185 total cpu time spent up to now is 853.9 secs Computing kpt #: 186 total cpu time spent up to now is 859.8 secs Computing kpt #: 187 total cpu time spent up to now is 866.6 secs Computing kpt #: 188 total cpu time spent up to now is 871.6 secs Computing kpt #: 189 total cpu time spent up to now is 875.7 secs Computing kpt #: 190 total cpu time spent up to now is 880.7 secs Computing kpt #: 191 total cpu time spent up to now is 885.3 secs Computing kpt #: 192 total cpu time spent up to now is 889.8 secs Computing kpt #: 193 total cpu time spent up to now is 894.2 secs Computing kpt #: 194 total cpu time spent up to now is 898.8 secs Computing kpt #: 195 total cpu time spent up to now is 902.8 secs Computing kpt #: 196 total cpu time spent up to now is 907.4 secs Computing kpt #: 197 total cpu time spent up to now is 912.2 secs Computing kpt #: 198 total cpu time spent up to now is 918.5 secs Computing kpt #: 199 total cpu time spent up to now is 924.1 secs Computing kpt #: 200 total cpu time spent up to now is 928.7 secs Computing kpt #: 201 total cpu time spent up to now is 932.9 secs Computing kpt #: 202 total cpu time spent up to now is 938.1 secs Computing kpt #: 203 total cpu time spent up to now is 942.2 secs Computing kpt #: 204 total cpu time spent up to now is 948.5 secs Computing kpt #: 205 total cpu time spent up to now is 952.4 secs Computing kpt #: 206 total cpu time spent up to now is 956.4 secs Computing kpt #: 207 total cpu time spent up to now is 960.5 secs Computing kpt #: 208 total cpu time spent up to now is 964.6 secs Computing kpt #: 209 total cpu time spent up to now is 968.7 secs Computing kpt #: 210 total cpu time spent up to now is 973.1 secs Computing kpt #: 211 total cpu time spent up to now is 977.0 secs Computing kpt #: 212 total cpu time spent up to now is 982.2 secs Computing kpt #: 213 total cpu time spent up to now is 985.8 secs Computing kpt #: 214 total cpu time spent up to now is 990.9 secs Computing kpt #: 215 total cpu time spent up to now is 994.8 secs Computing kpt #: 216 total cpu time spent up to now is 998.6 secs Computing kpt #: 217 total cpu time spent up to now is 1003.6 secs Computing kpt #: 218 total cpu time spent up to now is 1007.9 secs Computing kpt #: 219 total cpu time spent up to now is 1012.5 secs Computing kpt #: 220 total cpu time spent up to now is 1016.7 secs Computing kpt #: 221 total cpu time spent up to now is 1021.3 secs Computing kpt #: 222 total cpu time spent up to now is 1025.3 secs Computing kpt #: 223 total cpu time spent up to now is 1029.3 secs Computing kpt #: 224 total cpu time spent up to now is 1033.4 secs Computing kpt #: 225 total cpu time spent up to now is 1037.1 secs Computing kpt #: 226 total cpu time spent up to now is 1041.1 secs Computing kpt #: 227 total cpu time spent up to now is 1045.5 secs Computing kpt #: 228 total cpu time spent up to now is 1049.3 secs Computing kpt #: 229 total cpu time spent up to now is 1053.5 secs Computing kpt #: 230 total cpu time spent up to now is 1057.5 secs Computing kpt #: 231 total cpu time spent up to now is 1061.6 secs Computing kpt #: 232 total cpu time spent up to now is 1065.8 secs Computing kpt #: 233 total cpu time spent up to now is 1070.2 secs Computing kpt #: 234 total cpu time spent up to now is 1075.0 secs Computing kpt #: 235 total cpu time spent up to now is 1079.0 secs Computing kpt #: 236 total cpu time spent up to now is 1083.0 secs Computing kpt #: 237 total cpu time spent up to now is 1086.7 secs Computing kpt #: 238 total cpu time spent up to now is 1091.7 secs Computing kpt #: 239 total cpu time spent up to now is 1097.7 secs Computing kpt #: 240 total cpu time spent up to now is 1101.6 secs Computing kpt #: 241 total cpu time spent up to now is 1107.1 secs Computing kpt #: 242 total cpu time spent up to now is 1111.3 secs Computing kpt #: 243 total cpu time spent up to now is 1115.6 secs Computing kpt #: 244 total cpu time spent up to now is 1120.8 secs Computing kpt #: 245 total cpu time spent up to now is 1124.8 secs Computing kpt #: 246 total cpu time spent up to now is 1129.3 secs Computing kpt #: 247 total cpu time spent up to now is 1133.2 secs Computing kpt #: 248 total cpu time spent up to now is 1138.9 secs Computing kpt #: 249 total cpu time spent up to now is 1142.8 secs Computing kpt #: 250 total cpu time spent up to now is 1148.0 secs Computing kpt #: 251 total cpu time spent up to now is 1152.4 secs Computing kpt #: 252 total cpu time spent up to now is 1157.2 secs Computing kpt #: 253 total cpu time spent up to now is 1161.8 secs Computing kpt #: 254 total cpu time spent up to now is 1166.6 secs Computing kpt #: 255 total cpu time spent up to now is 1171.3 secs Computing kpt #: 256 total cpu time spent up to now is 1175.2 secs Computing kpt #: 257 total cpu time spent up to now is 1179.8 secs Computing kpt #: 258 total cpu time spent up to now is 1184.1 secs Computing kpt #: 259 total cpu time spent up to now is 1188.3 secs Computing kpt #: 260 total cpu time spent up to now is 1193.1 secs Computing kpt #: 261 total cpu time spent up to now is 1197.7 secs Computing kpt #: 262 total cpu time spent up to now is 1203.0 secs Computing kpt #: 263 total cpu time spent up to now is 1207.2 secs Computing kpt #: 264 total cpu time spent up to now is 1211.9 secs Computing kpt #: 265 total cpu time spent up to now is 1218.2 secs Computing kpt #: 266 total cpu time spent up to now is 1222.7 secs Computing kpt #: 267 total cpu time spent up to now is 1227.8 secs Computing kpt #: 268 total cpu time spent up to now is 1232.3 secs Computing kpt #: 269 total cpu time spent up to now is 1237.2 secs Computing kpt #: 270 total cpu time spent up to now is 1242.0 secs Computing kpt #: 271 total cpu time spent up to now is 1246.8 secs Computing kpt #: 272 total cpu time spent up to now is 1251.7 secs Computing kpt #: 273 total cpu time spent up to now is 1256.1 secs Computing kpt #: 274 total cpu time spent up to now is 1261.1 secs Computing kpt #: 275 total cpu time spent up to now is 1266.1 secs Computing kpt #: 276 total cpu time spent up to now is 1270.9 secs Computing kpt #: 277 total cpu time spent up to now is 1275.8 secs Computing kpt #: 278 total cpu time spent up to now is 1280.4 secs Computing kpt #: 279 total cpu time spent up to now is 1285.0 secs Computing kpt #: 280 total cpu time spent up to now is 1290.7 secs Computing kpt #: 281 total cpu time spent up to now is 1294.6 secs Computing kpt #: 282 total cpu time spent up to now is 1301.3 secs Computing kpt #: 283 total cpu time spent up to now is 1305.3 secs Computing kpt #: 284 total cpu time spent up to now is 1309.7 secs Computing kpt #: 285 total cpu time spent up to now is 1314.3 secs Computing kpt #: 286 total cpu time spent up to now is 1319.4 secs Computing kpt #: 287 total cpu time spent up to now is 1326.4 secs Computing kpt #: 288 total cpu time spent up to now is 1333.5 secs Computing kpt #: 289 total cpu time spent up to now is 1340.3 secs Computing kpt #: 290 total cpu time spent up to now is 1344.8 secs Computing kpt #: 291 total cpu time spent up to now is 1350.3 secs Computing kpt #: 292 total cpu time spent up to now is 1355.0 secs Computing kpt #: 293 total cpu time spent up to now is 1359.3 secs Computing kpt #: 294 total cpu time spent up to now is 1364.4 secs Computing kpt #: 295 total cpu time spent up to now is 1370.3 secs Computing kpt #: 296 total cpu time spent up to now is 1375.2 secs Computing kpt #: 297 total cpu time spent up to now is 1380.7 secs Computing kpt #: 298 total cpu time spent up to now is 1385.4 secs Computing kpt #: 299 total cpu time spent up to now is 1390.5 secs Computing kpt #: 300 total cpu time spent up to now is 1395.3 secs Computing kpt #: 301 total cpu time spent up to now is 1400.0 secs Computing kpt #: 302 total cpu time spent up to now is 1404.3 secs Computing kpt #: 303 total cpu time spent up to now is 1409.1 secs Computing kpt #: 304 total cpu time spent up to now is 1413.6 secs Computing kpt #: 305 total cpu time spent up to now is 1418.3 secs Computing kpt #: 306 total cpu time spent up to now is 1422.6 secs Computing kpt #: 307 total cpu time spent up to now is 1427.6 secs Computing kpt #: 308 total cpu time spent up to now is 1432.1 secs Computing kpt #: 309 total cpu time spent up to now is 1436.3 secs Computing kpt #: 310 total cpu time spent up to now is 1441.0 secs Computing kpt #: 311 total cpu time spent up to now is 1445.4 secs Computing kpt #: 312 total cpu time spent up to now is 1449.9 secs Computing kpt #: 313 total cpu time spent up to now is 1454.7 secs Computing kpt #: 314 total cpu time spent up to now is 1458.9 secs Computing kpt #: 315 total cpu time spent up to now is 1463.5 secs Computing kpt #: 316 total cpu time spent up to now is 1468.3 secs Computing kpt #: 317 total cpu time spent up to now is 1473.5 secs Computing kpt #: 318 total cpu time spent up to now is 1478.0 secs Computing kpt #: 319 total cpu time spent up to now is 1483.1 secs Computing kpt #: 320 total cpu time spent up to now is 1487.6 secs Computing kpt #: 321 total cpu time spent up to now is 1491.9 secs Computing kpt #: 322 total cpu time spent up to now is 1496.3 secs Computing kpt #: 323 total cpu time spent up to now is 1501.4 secs Computing kpt #: 324 total cpu time spent up to now is 1505.5 secs Computing kpt #: 325 total cpu time spent up to now is 1510.7 secs Computing kpt #: 326 total cpu time spent up to now is 1515.1 secs Computing kpt #: 327 total cpu time spent up to now is 1520.4 secs Computing kpt #: 328 total cpu time spent up to now is 1524.7 secs Computing kpt #: 329 total cpu time spent up to now is 1529.1 secs Computing kpt #: 330 total cpu time spent up to now is 1533.7 secs Computing kpt #: 331 total cpu time spent up to now is 1538.5 secs Computing kpt #: 332 total cpu time spent up to now is 1543.4 secs Computing kpt #: 333 total cpu time spent up to now is 1548.4 secs Computing kpt #: 334 total cpu time spent up to now is 1553.1 secs Computing kpt #: 335 total cpu time spent up to now is 1557.8 secs Computing kpt #: 336 total cpu time spent up to now is 1562.8 secs ethr = 1.92E-11, avg # of iterations = 40.1 total cpu time spent up to now is 1563.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9649 PWs) bands (ev): -14.1089 -14.1089 -14.0268 -14.0268 -12.8620 -12.8620 -12.5911 -12.5911 -11.3808 -11.3808 -11.1260 -11.1260 -7.5340 -7.5340 -7.4570 -7.4570 -3.2144 -3.2144 -3.1332 -3.1332 -1.9480 -1.9480 -1.8367 -1.8367 -1.6944 -1.6944 -1.5058 -1.5058 -0.4234 -0.4234 -0.3142 -0.3142 -0.2405 -0.2405 -0.0078 -0.0078 0.4782 0.4782 0.6316 0.6316 0.8582 0.8582 0.9607 0.9607 1.3143 1.3143 1.5671 1.5671 1.8212 1.8212 1.9758 1.9758 4.2781 4.2781 4.3192 4.3192 4.3250 4.3250 4.5933 4.5933 5.9377 5.9377 k = 0.0083 0.0108-0.0000 ( 9635 PWs) bands (ev): -14.1086 -14.1086 -14.0266 -14.0266 -12.8617 -12.8617 -12.5911 -12.5911 -11.3808 -11.3808 -11.1262 -11.1262 -7.5344 -7.5344 -7.4576 -7.4576 -3.2147 -3.2147 -3.1336 -3.1336 -1.9485 -1.9485 -1.8376 -1.8376 -1.6963 -1.6963 -1.5072 -1.5072 -0.4229 -0.4229 -0.3145 -0.3145 -0.2393 -0.2393 -0.0085 -0.0085 0.4790 0.4790 0.6322 0.6322 0.8579 0.8579 0.9606 0.9606 1.3144 1.3144 1.5687 1.5688 1.8216 1.8216 1.9763 1.9763 4.2789 4.2789 4.3199 4.3199 4.3262 4.3262 4.5927 4.5927 5.9389 5.9389 k = 0.0166 0.0215-0.0000 ( 9631 PWs) bands (ev): -14.1077 -14.1077 -14.0259 -14.0259 -12.8609 -12.8609 -12.5912 -12.5912 -11.3807 -11.3807 -11.1271 -11.1271 -7.5359 -7.5359 -7.4594 -7.4594 -3.2158 -3.2158 -3.1348 -3.1348 -1.9501 -1.9500 -1.8404 -1.8404 -1.7021 -1.7021 -1.5115 -1.5115 -0.4216 -0.4216 -0.3154 -0.3154 -0.2353 -0.2353 -0.0107 -0.0107 0.4813 0.4814 0.6338 0.6339 0.8569 0.8569 0.9603 0.9603 1.3149 1.3149 1.5737 1.5738 1.8225 1.8225 1.9778 1.9778 4.2814 4.2814 4.3219 4.3219 4.3299 4.3299 4.5911 4.5911 5.9423 5.9423 k = 0.0250 0.0323-0.0000 ( 9653 PWs) bands (ev): -14.1062 -14.1062 -14.0249 -14.0249 -12.8595 -12.8595 -12.5912 -12.5912 -11.3806 -11.3806 -11.1285 -11.1285 -7.5382 -7.5382 -7.4623 -7.4623 -3.2174 -3.2174 -3.1369 -3.1369 -1.9526 -1.9526 -1.8451 -1.8451 -1.7115 -1.7115 -1.5186 -1.5186 -0.4196 -0.4196 -0.3176 -0.3176 -0.2279 -0.2279 -0.0140 -0.0140 0.4850 0.4850 0.6366 0.6366 0.8553 0.8553 0.9599 0.9599 1.3158 1.3158 1.5820 1.5820 1.8242 1.8242 1.9802 1.9802 4.2855 4.2855 4.3251 4.3251 4.3364 4.3364 4.5886 4.5886 5.9480 5.9480 k = 0.0333 0.0431-0.0000 ( 9647 PWs) bands (ev): -14.1041 -14.1041 -14.0234 -14.0234 -12.8576 -12.8576 -12.5912 -12.5912 -11.3804 -11.3804 -11.1304 -11.1304 -7.5415 -7.5415 -7.4664 -7.4664 -3.2198 -3.2198 -3.1397 -3.1397 -1.9562 -1.9561 -1.8516 -1.8516 -1.7242 -1.7242 -1.5282 -1.5282 -0.4174 -0.4174 -0.3213 -0.3213 -0.2169 -0.2169 -0.0182 -0.0182 0.4897 0.4897 0.6402 0.6402 0.8530 0.8530 0.9592 0.9592 1.3172 1.3173 1.5933 1.5933 1.8264 1.8265 1.9835 1.9835 4.2911 4.2911 4.3294 4.3294 4.3455 4.3455 4.5851 4.5851 5.9559 5.9559 k = 0.0416 0.0538-0.0000 ( 9647 PWs) bands (ev): -14.1015 -14.1015 -14.0214 -14.0214 -12.8551 -12.8551 -12.5913 -12.5913 -11.3802 -11.3802 -11.1328 -11.1328 -7.5457 -7.5457 -7.4717 -7.4717 -3.2227 -3.2227 -3.1434 -3.1434 -1.9607 -1.9607 -1.8600 -1.8600 -1.7401 -1.7401 -1.5403 -1.5403 -0.4156 -0.4156 -0.3264 -0.3264 -0.2024 -0.2024 -0.0228 -0.0228 0.4950 0.4951 0.6446 0.6446 0.8500 0.8500 0.9585 0.9585 1.3194 1.3194 1.6074 1.6075 1.8293 1.8294 1.9877 1.9878 4.2981 4.2981 4.3347 4.3348 4.3572 4.3572 4.5810 4.5810 5.9659 5.9659 k = 0.0499 0.0646-0.0000 ( 9661 PWs) bands (ev): -14.0983 -14.0983 -14.0191 -14.0191 -12.8521 -12.8521 -12.5914 -12.5914 -11.3799 -11.3799 -11.1358 -11.1358 -7.5507 -7.5507 -7.4780 -7.4780 -3.2263 -3.2263 -3.1479 -3.1479 -1.9663 -1.9662 -1.8703 -1.8703 -1.7585 -1.7585 -1.5546 -1.5546 -0.4152 -0.4152 -0.3318 -0.3318 -0.1850 -0.1850 -0.0273 -0.0273 0.5007 0.5007 0.6496 0.6496 0.8462 0.8462 0.9576 0.9576 1.3225 1.3225 1.6242 1.6242 1.8329 1.8329 1.9928 1.9929 4.3063 4.3063 4.3412 4.3412 4.3714 4.3714 4.5764 4.5764 5.9781 5.9781 k = 0.0582 0.0754-0.0000 ( 9647 PWs) bands (ev): -14.0945 -14.0945 -14.0164 -14.0164 -12.8486 -12.8486 -12.5915 -12.5915 -11.3795 -11.3795 -11.1393 -11.1393 -7.5566 -7.5566 -7.4853 -7.4853 -3.2305 -3.2305 -3.1531 -3.1531 -1.9729 -1.9728 -1.8824 -1.8824 -1.7792 -1.7792 -1.5708 -1.5708 -0.4175 -0.4175 -0.3360 -0.3360 -0.1656 -0.1656 -0.0311 -0.0311 0.5062 0.5063 0.6550 0.6550 0.8417 0.8417 0.9568 0.9568 1.3267 1.3268 1.6433 1.6433 1.8370 1.8370 1.9988 1.9988 4.3157 4.3157 4.3487 4.3487 4.3881 4.3881 4.5715 4.5715 5.9922 5.9922 k = 0.0665 0.0861-0.0000 ( 9639 PWs) bands (ev): -14.0902 -14.0902 -14.0133 -14.0133 -12.8445 -12.8445 -12.5916 -12.5916 -11.3791 -11.3791 -11.1432 -11.1432 -7.5633 -7.5633 -7.4936 -7.4936 -3.2352 -3.2352 -3.1591 -3.1591 -1.9804 -1.9804 -1.8963 -1.8962 -1.8018 -1.8018 -1.5887 -1.5887 -0.4235 -0.4234 -0.3380 -0.3379 -0.1454 -0.1453 -0.0335 -0.0335 0.5113 0.5114 0.6606 0.6607 0.8364 0.8364 0.9560 0.9560 1.3324 1.3324 1.6643 1.6643 1.8418 1.8418 2.0054 2.0055 4.3261 4.3262 4.3572 4.3573 4.4069 4.4069 4.5666 4.5666 6.0084 6.0084 k = 0.0749 0.0969-0.0000 ( 9633 PWs) bands (ev): -14.0853 -14.0853 -14.0098 -14.0098 -12.8400 -12.8400 -12.5918 -12.5918 -11.3786 -11.3786 -11.1476 -11.1476 -7.5708 -7.5708 -7.5029 -7.5029 -3.2404 -3.2404 -3.1659 -3.1659 -1.9890 -1.9890 -1.9119 -1.9118 -1.8257 -1.8257 -1.6080 -1.6080 -0.4333 -0.4333 -0.3372 -0.3372 -0.1259 -0.1259 -0.0335 -0.0335 0.5157 0.5157 0.6663 0.6664 0.8304 0.8304 0.9554 0.9554 1.3396 1.3396 1.6869 1.6869 1.8471 1.8471 2.0128 2.0128 4.3375 4.3376 4.3668 4.3669 4.4277 4.4278 4.5620 4.5620 6.0263 6.0264 k = 0.0832 0.1076-0.0000 ( 9639 PWs) bands (ev): -14.0799 -14.0799 -14.0059 -14.0059 -12.8350 -12.8350 -12.5921 -12.5921 -11.3781 -11.3781 -11.1525 -11.1525 -7.5791 -7.5791 -7.5130 -7.5130 -3.2460 -3.2460 -3.1734 -3.1734 -1.9987 -1.9987 -1.9291 -1.9290 -1.8506 -1.8506 -1.6285 -1.6285 -0.4462 -0.4462 -0.3344 -0.3344 -0.1091 -0.1091 -0.0295 -0.0294 0.5188 0.5189 0.6720 0.6721 0.8237 0.8237 0.9550 0.9550 1.3486 1.3486 1.7105 1.7106 1.8531 1.8531 2.0207 2.0207 4.3496 4.3497 4.3775 4.3775 4.4503 4.4503 4.5579 4.5579 6.0461 6.0461 k = 0.0915 0.1184-0.0000 ( 9643 PWs) bands (ev): -14.0741 -14.0741 -14.0018 -14.0018 -12.8295 -12.8295 -12.5924 -12.5924 -11.3774 -11.3774 -11.1577 -11.1577 -7.5880 -7.5880 -7.5239 -7.5239 -3.2522 -3.2522 -3.1816 -3.1816 -2.0095 -2.0094 -1.9478 -1.9477 -1.8763 -1.8763 -1.6500 -1.6500 -0.4612 -0.4612 -0.3302 -0.3302 -0.0969 -0.0969 -0.0202 -0.0202 0.5205 0.5206 0.6776 0.6777 0.8163 0.8164 0.9551 0.9551 1.3594 1.3594 1.7348 1.7349 1.8596 1.8597 2.0290 2.0290 4.3622 4.3623 4.3893 4.3894 4.4744 4.4744 4.5546 4.5546 6.0674 6.0675 k = 0.0998 0.1292-0.0000 ( 9643 PWs) bands (ev): -14.0678 -14.0678 -13.9973 -13.9973 -12.8236 -12.8236 -12.5927 -12.5927 -11.3767 -11.3767 -11.1633 -11.1633 -7.5975 -7.5975 -7.5355 -7.5355 -3.2587 -3.2587 -3.1905 -3.1905 -2.0216 -2.0215 -1.9678 -1.9676 -1.9023 -1.9023 -1.6721 -1.6721 -0.4773 -0.4773 -0.3254 -0.3253 -0.0896 -0.0896 -0.0060 -0.0060 0.5205 0.5206 0.6831 0.6831 0.8086 0.8086 0.9556 0.9557 1.3721 1.3721 1.7593 1.7593 1.8669 1.8669 2.0377 2.0377 4.3752 4.3753 4.4022 4.4023 4.4995 4.4995 4.5526 4.5526 6.0903 6.0904 k = 0.1081 0.1399-0.0000 ( 9649 PWs) bands (ev): -14.0610 -14.0610 -13.9925 -13.9925 -12.8173 -12.8173 -12.5932 -12.5932 -11.3758 -11.3758 -11.1693 -11.1693 -7.6077 -7.6077 -7.5477 -7.5477 -3.2655 -3.2655 -3.2000 -3.2000 -2.0350 -2.0348 -1.9887 -1.9885 -1.9284 -1.9284 -1.6948 -1.6948 -0.4939 -0.4939 -0.3204 -0.3204 -0.0856 -0.0856 0.0110 0.0110 0.5185 0.5185 0.6883 0.6883 0.8007 0.8008 0.9569 0.9569 1.3866 1.3866 1.7832 1.7832 1.8750 1.8750 2.0464 2.0465 4.3885 4.3886 4.4164 4.4165 4.5248 4.5248 4.5528 4.5529 6.1147 6.1147 k = 0.1165 0.1507-0.0000 ( 9649 PWs) bands (ev): -14.0538 -14.0538 -13.9874 -13.9874 -12.8106 -12.8106 -12.5937 -12.5937 -11.3748 -11.3748 -11.1755 -11.1755 -7.6184 -7.6184 -7.5606 -7.5606 -3.2727 -3.2727 -3.2102 -3.2101 -2.0500 -2.0498 -2.0102 -2.0100 -1.9545 -1.9544 -1.7177 -1.7177 -0.5103 -0.5103 -0.3156 -0.3156 -0.0834 -0.0834 0.0286 0.0287 0.5142 0.5143 0.6933 0.6933 0.7930 0.7930 0.9591 0.9591 1.4029 1.4029 1.8060 1.8060 1.8841 1.8841 2.0552 2.0552 4.4019 4.4020 4.4316 4.4317 4.5441 4.5441 4.5613 4.5614 6.1403 6.1403 k = 0.1248 0.1615-0.0000 ( 9641 PWs) bands (ev): -14.0463 -14.0463 -13.9821 -13.9821 -12.8035 -12.8035 -12.5943 -12.5943 -11.3737 -11.3737 -11.1820 -11.1820 -7.6295 -7.6295 -7.5739 -7.5739 -3.2802 -3.2801 -3.2209 -3.2209 -2.0670 -2.0667 -2.0317 -2.0315 -1.9801 -1.9801 -1.7409 -1.7409 -0.5262 -0.5262 -0.3112 -0.3112 -0.0821 -0.0821 0.0454 0.0454 0.5076 0.5076 0.6979 0.6979 0.7857 0.7857 0.9623 0.9623 1.4207 1.4207 1.8270 1.8270 1.8944 1.8944 2.0636 2.0637 4.4156 4.4157 4.4477 4.4478 4.5503 4.5504 4.5853 4.5854 6.1671 6.1672 k = 0.1331 0.1722-0.0000 ( 9651 PWs) bands (ev): -14.0383 -14.0383 -13.9766 -13.9765 -12.7960 -12.7960 -12.5950 -12.5950 -11.3725 -11.3725 -11.1888 -11.1888 -7.6411 -7.6411 -7.5876 -7.5876 -3.2879 -3.2878 -3.2322 -3.2322 -2.0861 -2.0858 -2.0530 -2.0527 -2.0053 -2.0053 -1.7640 -1.7640 -0.5410 -0.5410 -0.3073 -0.3073 -0.0813 -0.0813 0.0603 0.0604 0.4986 0.4986 0.7021 0.7021 0.7792 0.7792 0.9667 0.9667 1.4400 1.4400 1.8454 1.8454 1.9061 1.9061 2.0717 2.0717 4.4297 4.4298 4.4645 4.4645 4.5551 4.5552 4.6131 4.6131 6.1950 6.1951 k = 0.1414 0.1830-0.0000 ( 9657 PWs) bands (ev): -14.0300 -14.0300 -13.9708 -13.9708 -12.7883 -12.7883 -12.5958 -12.5958 -11.3711 -11.3711 -11.1957 -11.1957 -7.6530 -7.6530 -7.6017 -7.6017 -3.2958 -3.2957 -3.2440 -3.2440 -2.1074 -2.1071 -2.0737 -2.0735 -2.0297 -2.0297 -1.7871 -1.7871 -0.5544 -0.5544 -0.3041 -0.3040 -0.0810 -0.0810 0.0729 0.0729 0.4872 0.4873 0.7056 0.7057 0.7737 0.7737 0.9723 0.9723 1.4605 1.4605 1.8609 1.8609 1.9192 1.9192 2.0790 2.0790 4.4443 4.4444 4.4815 4.4816 4.5615 4.5615 4.6416 4.6416 6.2238 6.2239 k = 0.1497 0.1938-0.0000 ( 9669 PWs) bands (ev): -14.0215 -14.0215 -13.9649 -13.9649 -12.7802 -12.7802 -12.5967 -12.5967 -11.3695 -11.3695 -11.2028 -11.2028 -7.6652 -7.6652 -7.6160 -7.6160 -3.3039 -3.3038 -3.2562 -3.2562 -2.1304 -2.1302 -2.0941 -2.0939 -2.0533 -2.0532 -1.8100 -1.8100 -0.5663 -0.5663 -0.3014 -0.3014 -0.0813 -0.0812 0.0826 0.0827 0.4736 0.4737 0.7084 0.7085 0.7695 0.7695 0.9793 0.9793 1.4821 1.4821 1.8737 1.8737 1.9329 1.9330 2.0854 2.0855 4.4595 4.4596 4.4985 4.4986 4.5699 4.5699 4.6702 4.6703 6.2534 6.2536 k = 0.1580 0.2045-0.0000 ( 9691 PWs) bands (ev): -14.0126 -14.0126 -13.9588 -13.9588 -12.7719 -12.7719 -12.5977 -12.5977 -11.3678 -11.3678 -11.2100 -11.2100 -7.6776 -7.6776 -7.6305 -7.6305 -3.3122 -3.3121 -3.2689 -3.2688 -2.1547 -2.1545 -2.1145 -2.1143 -2.0758 -2.0758 -1.8325 -1.8325 -0.5763 -0.5763 -0.2994 -0.2994 -0.0822 -0.0822 0.0894 0.0895 0.4581 0.4581 0.7103 0.7103 0.7668 0.7668 0.9877 0.9877 1.5045 1.5046 1.8844 1.8844 1.9465 1.9465 2.0907 2.0907 4.4755 4.4756 4.5154 4.5155 4.5804 4.5804 4.6988 4.6988 6.2839 6.2841 k = 0.1664 0.2153-0.0000 ( 9691 PWs) bands (ev): -14.0035 -14.0035 -13.9526 -13.9526 -12.7633 -12.7633 -12.5989 -12.5989 -11.3659 -11.3659 -11.2173 -11.2173 -7.6902 -7.6902 -7.6452 -7.6452 -3.3206 -3.3205 -3.2818 -3.2818 -2.1798 -2.1796 -2.1351 -2.1349 -2.0974 -2.0974 -1.8548 -1.8548 -0.5842 -0.5842 -0.2980 -0.2980 -0.0840 -0.0840 0.0931 0.0931 0.4409 0.4410 0.7111 0.7112 0.7655 0.7655 0.9973 0.9973 1.5277 1.5277 1.8934 1.8934 1.9589 1.9589 2.0946 2.0946 4.4924 4.4925 4.5321 4.5321 4.5930 4.5930 4.7271 4.7271 6.3151 6.3154 k = 0.1747 0.2261-0.0000 ( 9699 PWs) bands (ev): -13.9942 -13.9942 -13.9463 -13.9463 -12.7545 -12.7545 -12.6002 -12.6002 -11.3638 -11.3638 -11.2246 -11.2246 -7.7029 -7.7029 -7.6599 -7.6598 -3.3292 -3.3291 -3.2951 -3.2950 -2.2054 -2.2052 -2.1558 -2.1556 -2.1180 -2.1180 -1.8766 -1.8766 -0.5899 -0.5899 -0.2971 -0.2971 -0.0869 -0.0869 0.0937 0.0938 0.4225 0.4225 0.7108 0.7108 0.7657 0.7657 1.0081 1.0081 1.5512 1.5513 1.9010 1.9011 1.9695 1.9695 2.0968 2.0968 4.5102 4.5103 4.5485 4.5486 4.6073 4.6073 4.7549 4.7549 6.3471 6.3473 k = 0.1830 0.2368-0.0000 ( 9705 PWs) bands (ev): -13.9847 -13.9847 -13.9400 -13.9400 -12.7455 -12.7455 -12.6016 -12.6016 -11.3615 -11.3615 -11.2319 -11.2319 -7.7157 -7.7156 -7.6745 -7.6745 -3.3380 -3.3379 -3.3085 -3.3084 -2.2311 -2.2309 -2.1766 -2.1764 -2.1376 -2.1376 -1.8980 -1.8980 -0.5933 -0.5933 -0.2967 -0.2966 -0.0912 -0.0912 0.0913 0.0914 0.4031 0.4031 0.7093 0.7093 0.7673 0.7673 1.0198 1.0198 1.5751 1.5752 1.9075 1.9076 1.9779 1.9779 2.0971 2.0971 4.5290 4.5291 4.5650 4.5650 4.6231 4.6231 4.7821 4.7821 6.3796 6.3799 k = 0.1913 0.2476-0.0000 ( 9697 PWs) bands (ev): -13.9751 -13.9751 -13.9336 -13.9336 -12.7364 -12.7364 -12.6031 -12.6031 -11.3590 -11.3590 -11.2392 -11.2392 -7.7284 -7.7284 -7.6891 -7.6891 -3.3469 -3.3468 -3.3220 -3.3219 -2.2568 -2.2567 -2.1974 -2.1973 -2.1563 -2.1562 -1.9189 -1.9189 -0.5943 -0.5943 -0.2966 -0.2965 -0.0969 -0.0969 0.0862 0.0862 0.3832 0.3833 0.7065 0.7065 0.7703 0.7703 1.0322 1.0322 1.5991 1.5991 1.9128 1.9128 1.9840 1.9840 2.0953 2.0953 4.5488 4.5489 4.5816 4.5816 4.6398 4.6398 4.8086 4.8086 6.4127 6.4130 k = 0.1996 0.2584-0.0000 ( 9705 PWs) bands (ev): -13.9653 -13.9653 -13.9272 -13.9272 -12.7272 -12.7272 -12.6049 -12.6049 -11.3563 -11.3563 -11.2464 -11.2464 -7.7410 -7.7410 -7.7036 -7.7036 -3.3561 -3.3560 -3.3355 -3.3354 -2.2823 -2.2822 -2.2183 -2.2182 -2.1737 -2.1737 -1.9394 -1.9393 -0.5929 -0.5929 -0.2967 -0.2967 -0.1043 -0.1043 0.0783 0.0784 0.3632 0.3632 0.7025 0.7025 0.7747 0.7747 1.0451 1.0451 1.6230 1.6230 1.9167 1.9167 1.9877 1.9877 2.0912 2.0912 4.5694 4.5695 4.5986 4.5987 4.6570 4.6570 4.8341 4.8341 6.4462 6.4465 k = 0.2079 0.2691-0.0000 ( 9711 PWs) bands (ev): -13.9555 -13.9555 -13.9208 -13.9208 -12.7179 -12.7179 -12.6067 -12.6067 -11.3534 -11.3534 -11.2535 -11.2535 -7.7536 -7.7535 -7.7178 -7.7178 -3.3657 -3.3656 -3.3488 -3.3486 -2.3074 -2.3073 -2.2393 -2.2392 -2.1898 -2.1898 -1.9594 -1.9593 -0.5891 -0.5891 -0.2970 -0.2970 -0.1135 -0.1135 0.0681 0.0681 0.3433 0.3433 0.6972 0.6972 0.7802 0.7802 1.0581 1.0581 1.6466 1.6466 1.9188 1.9188 1.9894 1.9894 2.0845 2.0845 4.5908 4.5910 4.6161 4.6162 4.6745 4.6746 4.8586 4.8586 6.4800 6.4803 k = 0.2163 0.2799-0.0000 ( 9709 PWs) bands (ev): -13.9457 -13.9457 -13.9144 -13.9144 -12.7085 -12.7085 -12.6087 -12.6087 -11.3502 -11.3502 -11.2604 -11.2604 -7.7659 -7.7659 -7.7319 -7.7318 -3.3759 -3.3757 -3.3616 -3.3614 -2.3320 -2.3319 -2.2606 -2.2605 -2.2042 -2.2042 -1.9789 -1.9789 -0.5830 -0.5830 -0.2973 -0.2973 -0.1245 -0.1244 0.0556 0.0556 0.3239 0.3239 0.6907 0.6908 0.7869 0.7869 1.0710 1.0711 1.6696 1.6696 1.9187 1.9187 1.9895 1.9896 2.0753 2.0753 4.6127 4.6128 4.6345 4.6345 4.6921 4.6921 4.8819 4.8819 6.5141 6.5143 k = 0.2246 0.2907-0.0000 ( 9717 PWs) bands (ev): -13.9358 -13.9358 -13.9081 -13.9081 -12.6991 -12.6991 -12.6108 -12.6108 -11.3469 -11.3469 -11.2672 -11.2672 -7.7780 -7.7780 -7.7456 -7.7456 -3.3868 -3.3866 -3.3736 -3.3734 -2.3560 -2.3559 -2.2822 -2.2821 -2.2169 -2.2169 -1.9980 -1.9980 -0.5746 -0.5746 -0.2975 -0.2975 -0.1371 -0.1371 0.0411 0.0411 0.3051 0.3051 0.6830 0.6830 0.7946 0.7946 1.0836 1.0836 1.6918 1.6918 1.9157 1.9158 1.9887 1.9887 2.0633 2.0634 4.6344 4.6345 4.6539 4.6539 4.7095 4.7096 4.9039 4.9039 6.5482 6.5484 k = 0.2329 0.3014-0.0000 ( 9703 PWs) bands (ev): -13.9260 -13.9260 -13.9019 -13.9019 -12.6897 -12.6897 -12.6131 -12.6131 -11.3432 -11.3432 -11.2737 -11.2737 -7.7898 -7.7898 -7.7590 -7.7590 -3.3986 -3.3984 -3.3847 -3.3845 -2.3792 -2.3791 -2.3040 -2.3039 -2.2277 -2.2277 -2.0167 -2.0167 -0.5640 -0.5640 -0.2975 -0.2975 -0.1514 -0.1513 0.0249 0.0249 0.2870 0.2871 0.6741 0.6741 0.8033 0.8033 1.0956 1.0956 1.7130 1.7130 1.9094 1.9095 1.9874 1.9875 2.0487 2.0487 4.6554 4.6555 4.6747 4.6747 4.7268 4.7269 4.9244 4.9244 6.5824 6.5826 k = 0.2412 0.3122-0.0000 ( 9703 PWs) bands (ev): -13.9163 -13.9163 -13.8958 -13.8958 -12.6803 -12.6803 -12.6155 -12.6155 -11.3394 -11.3394 -11.2801 -11.2801 -7.8013 -7.8013 -7.7721 -7.7721 -3.4109 -3.4107 -3.3951 -3.3949 -2.4016 -2.4015 -2.3261 -2.3260 -2.2366 -2.2366 -2.0349 -2.0349 -0.5516 -0.5516 -0.2972 -0.2972 -0.1669 -0.1669 0.0071 0.0071 0.2699 0.2699 0.6639 0.6639 0.8130 0.8130 1.1068 1.1068 1.7328 1.7328 1.8996 1.8996 1.9861 1.9862 2.0314 2.0314 4.6752 4.6753 4.6968 4.6969 4.7440 4.7441 4.9434 4.9434 6.6166 6.6168 k = 0.2495 0.3229-0.0000 ( 9697 PWs) bands (ev): -13.9066 -13.9066 -13.8899 -13.8899 -12.6710 -12.6710 -12.6180 -12.6180 -11.3353 -11.3353 -11.2862 -11.2862 -7.8125 -7.8125 -7.7848 -7.7848 -3.4235 -3.4233 -3.4051 -3.4049 -2.4230 -2.4228 -2.3482 -2.3481 -2.2436 -2.2436 -2.0528 -2.0528 -0.5374 -0.5374 -0.2965 -0.2965 -0.1835 -0.1835 -0.0119 -0.0119 0.2537 0.2537 0.6525 0.6525 0.8235 0.8235 1.1171 1.1171 1.7508 1.7508 1.8863 1.8863 1.9848 1.9848 2.0116 2.0116 4.6941 4.6942 4.7199 4.7199 4.7612 4.7613 4.9606 4.9606 6.6506 6.6508 k = 0.2579 0.3337-0.0000 ( 9689 PWs) bands (ev): -13.8971 -13.8970 -13.8841 -13.8841 -12.6618 -12.6618 -12.6207 -12.6207 -11.3310 -11.3310 -11.2920 -11.2920 -7.8232 -7.8232 -7.7971 -7.7970 -3.4360 -3.4358 -3.4149 -3.4148 -2.4433 -2.4432 -2.3702 -2.3701 -2.2488 -2.2488 -2.0703 -2.0703 -0.5219 -0.5219 -0.2954 -0.2954 -0.2007 -0.2007 -0.0319 -0.0319 0.2383 0.2383 0.6399 0.6399 0.8349 0.8349 1.1262 1.1262 1.7665 1.7665 1.8702 1.8703 1.9825 1.9826 1.9902 1.9903 4.7123 4.7123 4.7430 4.7431 4.7786 4.7787 4.9759 4.9760 6.6845 6.6847 k = 0.2662 0.3445-0.0000 ( 9683 PWs) bands (ev): -13.8877 -13.8877 -13.8784 -13.8784 -12.6527 -12.6527 -12.6235 -12.6235 -11.3264 -11.3264 -11.2975 -11.2975 -7.8336 -7.8335 -7.8089 -7.8089 -3.4483 -3.4481 -3.4247 -3.4245 -2.4626 -2.4625 -2.3921 -2.3920 -2.2523 -2.2522 -2.0875 -2.0875 -0.5055 -0.5054 -0.2940 -0.2940 -0.2178 -0.2177 -0.0526 -0.0525 0.2237 0.2237 0.6261 0.6262 0.8470 0.8470 1.1340 1.1340 1.7788 1.7789 1.8525 1.8526 1.9641 1.9642 1.9825 1.9826 4.7298 4.7298 4.7657 4.7658 4.7963 4.7965 4.9893 4.9893 6.7180 6.7182 k = 0.2745 0.3552-0.0000 ( 9693 PWs) bands (ev): -13.8784 -13.8784 -13.8730 -13.8730 -12.6438 -12.6438 -12.6264 -12.6264 -11.3217 -11.3217 -11.3027 -11.3027 -7.8435 -7.8434 -7.8203 -7.8203 -3.4602 -3.4601 -3.4344 -3.4343 -2.4807 -2.4806 -2.4136 -2.4135 -2.2540 -2.2540 -2.1043 -2.1043 -0.4886 -0.4886 -0.2928 -0.2928 -0.2336 -0.2335 -0.0735 -0.0735 0.2098 0.2098 0.6112 0.6112 0.8598 0.8598 1.1404 1.1404 1.7848 1.7849 1.8362 1.8362 1.9382 1.9382 1.9800 1.9800 4.7467 4.7468 4.7873 4.7875 4.8146 4.8148 5.0005 5.0005 6.7512 6.7514 k = 0.2828 0.3660-0.0000 ( 9689 PWs) bands (ev): -13.8694 -13.8694 -13.8677 -13.8677 -12.6350 -12.6350 -12.6293 -12.6293 -11.3167 -11.3167 -11.3076 -11.3076 -7.8529 -7.8528 -7.8312 -7.8312 -3.4718 -3.4716 -3.4441 -3.4439 -2.4977 -2.4976 -2.4348 -2.4347 -2.2541 -2.2541 -2.1208 -2.1208 -0.4721 -0.4721 -0.2933 -0.2933 -0.2458 -0.2458 -0.0945 -0.0945 0.1965 0.1966 0.5951 0.5951 0.8732 0.8732 1.1453 1.1453 1.7784 1.7785 1.8273 1.8274 1.9107 1.9107 1.9769 1.9769 4.7631 4.7632 4.8078 4.8080 4.8336 4.8338 5.0094 5.0095 6.7838 6.7841 k = 0.2911 0.3768-0.0000 ( 9697 PWs) bands (ev): -13.8627 -13.8627 -13.8606 -13.8606 -12.6324 -12.6324 -12.6264 -12.6264 -11.3123 -11.3122 -11.3115 -11.3115 -7.8618 -7.8618 -7.8417 -7.8416 -3.4828 -3.4827 -3.4537 -3.4536 -2.5135 -2.5134 -2.4554 -2.4553 -2.2528 -2.2527 -2.1370 -2.1370 -0.4569 -0.4569 -0.2980 -0.2980 -0.2510 -0.2510 -0.1151 -0.1151 0.1838 0.1838 0.5779 0.5779 0.8871 0.8872 1.1486 1.1486 1.7591 1.7592 1.8260 1.8261 1.8829 1.8829 1.9729 1.9729 4.7790 4.7790 4.8273 4.8275 4.8527 4.8530 5.0161 5.0161 6.8158 6.8160 k = 0.2994 0.3875-0.0000 ( 9699 PWs) bands (ev): -13.8579 -13.8579 -13.8521 -13.8521 -12.6355 -12.6355 -12.6180 -12.6180 -11.3165 -11.3165 -11.3062 -11.3062 -7.8702 -7.8702 -7.8516 -7.8516 -3.4933 -3.4932 -3.4634 -3.4633 -2.5281 -2.5280 -2.4753 -2.4752 -2.2501 -2.2501 -2.1528 -2.1528 -0.4444 -0.4443 -0.3069 -0.3068 -0.2480 -0.2480 -0.1350 -0.1350 0.1716 0.1716 0.5596 0.5596 0.9015 0.9015 1.1502 1.1502 1.7334 1.7335 1.8230 1.8230 1.8579 1.8580 1.9679 1.9679 4.7943 4.7943 4.8462 4.8464 4.8718 4.8720 5.0203 5.0203 6.8469 6.8471 k = 0.3078 0.3983-0.0000 ( 9687 PWs) bands (ev): -13.8533 -13.8533 -13.8438 -13.8438 -12.6387 -12.6387 -12.6098 -12.6098 -11.3204 -11.3204 -11.3008 -11.3008 -7.8781 -7.8781 -7.8611 -7.8611 -3.5033 -3.5032 -3.4730 -3.4728 -2.5416 -2.5415 -2.4945 -2.4944 -2.2463 -2.2462 -2.1682 -2.1682 -0.4360 -0.4359 -0.3165 -0.3164 -0.2390 -0.2390 -0.1536 -0.1536 0.1598 0.1598 0.5404 0.5404 0.9161 0.9161 1.1500 1.1500 1.7050 1.7051 1.8066 1.8067 1.8446 1.8447 1.9618 1.9618 4.8090 4.8091 4.8645 4.8647 4.8903 4.8906 5.0221 5.0221 6.8768 6.8771 k = 0.3161 0.4091-0.0000 ( 9703 PWs) bands (ev): -13.8490 -13.8490 -13.8358 -13.8358 -12.6419 -12.6419 -12.6020 -12.6020 -11.3240 -11.3240 -11.2952 -11.2952 -7.8855 -7.8855 -7.8701 -7.8701 -3.5127 -3.5125 -3.4825 -3.4824 -2.5541 -2.5539 -2.5128 -2.5127 -2.2415 -2.2414 -2.1832 -2.1831 -0.4330 -0.4329 -0.3240 -0.3239 -0.2261 -0.2260 -0.1703 -0.1702 0.1485 0.1485 0.5202 0.5203 0.9308 0.9308 1.1480 1.1480 1.6750 1.6751 1.7793 1.7793 1.8401 1.8402 1.9545 1.9545 4.8232 4.8233 4.8820 4.8822 4.9087 4.9089 5.0215 5.0215 6.9054 6.9056 k = 0.3244 0.4198-0.0000 ( 9707 PWs) bands (ev): -13.8449 -13.8449 -13.8282 -13.8282 -12.6452 -12.6452 -12.5943 -12.5943 -11.3273 -11.3273 -11.2895 -11.2895 -7.8924 -7.8924 -7.8787 -7.8786 -3.5214 -3.5213 -3.4918 -3.4917 -2.5655 -2.5653 -2.5301 -2.5299 -2.2363 -2.2362 -2.1973 -2.1972 -0.4358 -0.4357 -0.3284 -0.3283 -0.2123 -0.2122 -0.1825 -0.1824 0.1377 0.1378 0.4993 0.4993 0.9453 0.9453 1.1442 1.1442 1.6442 1.6443 1.7491 1.7491 1.8363 1.8364 1.9459 1.9459 4.8370 4.8370 4.8978 4.8980 4.9275 4.9277 5.0185 5.0186 6.9325 6.9327 k = 0.3327 0.4306-0.0000 ( 9711 PWs) bands (ev): -13.8411 -13.8411 -13.8208 -13.8208 -12.6484 -12.6484 -12.5870 -12.5870 -11.3303 -11.3303 -11.2837 -11.2837 -7.8988 -7.8988 -7.8867 -7.8867 -3.5295 -3.5294 -3.5011 -3.5010 -2.5762 -2.5760 -2.5460 -2.5458 -2.2321 -2.2319 -2.2093 -2.2091 -0.4434 -0.4433 -0.3304 -0.3303 -0.2096 -0.2095 -0.1787 -0.1786 0.1276 0.1277 0.4777 0.4777 0.9595 0.9595 1.1386 1.1386 1.6131 1.6131 1.7185 1.7185 1.8314 1.8314 1.9361 1.9361 4.8503 4.8503 4.9109 4.9111 4.9476 4.9478 5.0135 5.0135 6.9582 6.9583 k = 0.3410 0.4414-0.0000 ( 9709 PWs) bands (ev): -13.8375 -13.8375 -13.8138 -13.8138 -12.6517 -12.6517 -12.5799 -12.5799 -11.3329 -11.3329 -11.2779 -11.2779 -7.9047 -7.9047 -7.8943 -7.8942 -3.5370 -3.5369 -3.5101 -3.5100 -2.5864 -2.5862 -2.5605 -2.5602 -2.2348 -2.2345 -2.2135 -2.2133 -0.4539 -0.4538 -0.3311 -0.3310 -0.2177 -0.2176 -0.1598 -0.1597 0.1184 0.1184 0.4555 0.4555 0.9728 0.9728 1.1311 1.1311 1.5822 1.5823 1.6881 1.6881 1.8249 1.8250 1.9249 1.9250 4.8632 4.8633 4.9208 4.9209 4.9689 4.9689 5.0069 5.0069 6.9825 6.9826 k = 0.3494 0.4521-0.0000 ( 9691 PWs) bands (ev): -13.8341 -13.8341 -13.8071 -13.8071 -12.6549 -12.6549 -12.5732 -12.5732 -11.3353 -11.3353 -11.2721 -11.2721 -7.9101 -7.9101 -7.9014 -7.9013 -3.5438 -3.5437 -3.5189 -3.5188 -2.5966 -2.5964 -2.5728 -2.5726 -2.2453 -2.2452 -2.2088 -2.2086 -0.4660 -0.4659 -0.3317 -0.3316 -0.2257 -0.2256 -0.1374 -0.1373 0.1102 0.1102 0.4329 0.4330 0.9848 0.9848 1.1220 1.1220 1.5521 1.5521 1.6585 1.6585 1.8170 1.8170 1.9125 1.9126 4.8758 4.8758 4.9273 4.9273 4.9864 4.9865 5.0039 5.0039 7.0054 7.0055 k = 0.3577 0.4629-0.0000 ( 9677 PWs) bands (ev): -13.8310 -13.8310 -13.8007 -13.8007 -12.6581 -12.6581 -12.5668 -12.5668 -11.3373 -11.3373 -11.2663 -11.2663 -7.9151 -7.9150 -7.9080 -7.9080 -3.5501 -3.5500 -3.5274 -3.5272 -2.6072 -2.6069 -2.5829 -2.5826 -2.2577 -2.2576 -2.2016 -2.2015 -0.4786 -0.4785 -0.3326 -0.3325 -0.2317 -0.2316 -0.1143 -0.1142 0.1035 0.1035 0.4102 0.4103 0.9948 0.9949 1.1114 1.1114 1.5233 1.5234 1.6298 1.6299 1.8079 1.8079 1.8990 1.8990 4.8877 4.8878 4.9304 4.9304 4.9829 4.9829 5.0221 5.0222 7.0271 7.0271 k = 0.3660 0.4737-0.0000 ( 9677 PWs) bands (ev): -13.8281 -13.8281 -13.7947 -13.7947 -12.6612 -12.6612 -12.5607 -12.5607 -11.3392 -11.3392 -11.2606 -11.2606 -7.9196 -7.9195 -7.9142 -7.9141 -3.5558 -3.5556 -3.5355 -3.5354 -2.6180 -2.6178 -2.5906 -2.5904 -2.2702 -2.2702 -2.1937 -2.1936 -0.4911 -0.4910 -0.3339 -0.3338 -0.2356 -0.2355 -0.0921 -0.0920 0.0988 0.0989 0.3876 0.3876 1.0021 1.0022 1.0997 1.0997 1.4967 1.4968 1.6024 1.6024 1.7978 1.7979 1.8844 1.8844 4.8988 4.8989 4.9301 4.9301 4.9730 4.9730 5.0474 5.0474 7.0474 7.0475 k = 0.3743 0.4844-0.0000 ( 9687 PWs) bands (ev): -13.8254 -13.8254 -13.7891 -13.7891 -12.6642 -12.6642 -12.5550 -12.5550 -11.3407 -11.3407 -11.2549 -11.2549 -7.9236 -7.9235 -7.9200 -7.9199 -3.5609 -3.5608 -3.5433 -3.5431 -2.6288 -2.6287 -2.5966 -2.5964 -2.2824 -2.2824 -2.1857 -2.1856 -0.5031 -0.5030 -0.3351 -0.3350 -0.2376 -0.2375 -0.0720 -0.0719 0.0969 0.0970 0.3653 0.3653 1.0056 1.0057 1.0874 1.0874 1.4728 1.4729 1.5762 1.5762 1.7871 1.7871 1.8689 1.8689 4.9070 4.9071 4.9275 4.9276 4.9634 4.9634 5.0741 5.0742 7.0665 7.0666 k = 0.3826 0.4952-0.0000 ( 9693 PWs) bands (ev): -13.8230 -13.8230 -13.7839 -13.7838 -12.6671 -12.6671 -12.5496 -12.5496 -11.3421 -11.3421 -11.2494 -11.2494 -7.9274 -7.9272 -7.9252 -7.9251 -3.5657 -3.5655 -3.5506 -3.5504 -2.6392 -2.6391 -2.6011 -2.6010 -2.2942 -2.2941 -2.1778 -2.1777 -0.5144 -0.5144 -0.3360 -0.3359 -0.2381 -0.2381 -0.0554 -0.0553 0.0986 0.0987 0.3436 0.3436 1.0042 1.0043 1.0750 1.0751 1.4524 1.4525 1.5515 1.5516 1.7759 1.7759 1.8529 1.8529 4.9053 4.9054 4.9293 4.9294 4.9555 4.9555 5.1016 5.1016 7.0843 7.0844 k = 0.3909 0.5060-0.0000 ( 9697 PWs) bands (ev): -13.8208 -13.8208 -13.7790 -13.7790 -12.6699 -12.6699 -12.5446 -12.5446 -11.3432 -11.3432 -11.2441 -11.2441 -7.9310 -7.9307 -7.9299 -7.9296 -3.5700 -3.5698 -3.5572 -3.5570 -2.6490 -2.6489 -2.6046 -2.6045 -2.3054 -2.3054 -2.1701 -2.1701 -0.5249 -0.5248 -0.3362 -0.3361 -0.2376 -0.2376 -0.0432 -0.0431 0.1044 0.1045 0.3229 0.3229 0.9974 0.9975 1.0630 1.0631 1.4362 1.4362 1.5284 1.5285 1.7645 1.7646 1.8366 1.8366 4.8933 4.8933 4.9345 4.9345 4.9512 4.9512 5.1293 5.1293 7.1009 7.1009 k = 0.3993 0.5167-0.0000 ( 9685 PWs) bands (ev): -13.8188 -13.8188 -13.7744 -13.7744 -12.6726 -12.6726 -12.5399 -12.5399 -11.3442 -11.3442 -11.2389 -11.2389 -7.9350 -7.9348 -7.9331 -7.9329 -3.5743 -3.5740 -3.5631 -3.5629 -2.6581 -2.6580 -2.6071 -2.6070 -2.3160 -2.3160 -2.1628 -2.1628 -0.5344 -0.5344 -0.3354 -0.3353 -0.2364 -0.2364 -0.0355 -0.0355 0.1139 0.1139 0.3038 0.3038 0.9855 0.9856 1.0510 1.0511 1.4243 1.4243 1.5070 1.5070 1.7530 1.7531 1.8204 1.8204 4.8771 4.8771 4.9331 4.9332 4.9550 4.9550 5.1570 5.1570 7.1162 7.1162 k = 0.3993 0.5167-0.0000 ( 9685 PWs) bands (ev): -13.8188 -13.8188 -13.7744 -13.7744 -12.6726 -12.6726 -12.5399 -12.5399 -11.3442 -11.3442 -11.2389 -11.2389 -7.9350 -7.9348 -7.9331 -7.9329 -3.5743 -3.5740 -3.5631 -3.5629 -2.6581 -2.6580 -2.6071 -2.6070 -2.3160 -2.3160 -2.1628 -2.1628 -0.5344 -0.5344 -0.3354 -0.3353 -0.2364 -0.2364 -0.0355 -0.0355 0.1139 0.1139 0.3038 0.3038 0.9855 0.9856 1.0510 1.0511 1.4243 1.4243 1.5070 1.5070 1.7530 1.7531 1.8204 1.8204 4.8771 4.8771 4.9331 4.9332 4.9550 4.9550 5.1570 5.1570 7.1162 7.1162 k = 0.3860 0.5167-0.0000 ( 9695 PWs) bands (ev): -13.8202 -13.8202 -13.7772 -13.7772 -12.6711 -12.6711 -12.5427 -12.5427 -11.3436 -11.3436 -11.2419 -11.2419 -7.9323 -7.9321 -7.9310 -7.9308 -3.5716 -3.5713 -3.5596 -3.5591 -2.6526 -2.6525 -2.6062 -2.6049 -2.3103 -2.3083 -2.1669 -2.1663 -0.5299 -0.5272 -0.3393 -0.3324 -0.2439 -0.2300 -0.0456 -0.0332 0.1074 0.1092 0.3124 0.3183 0.9903 0.9957 1.0559 1.0602 1.4298 1.4322 1.5183 1.5208 1.7560 1.7638 1.8299 1.8307 4.8850 4.8867 4.9298 4.9320 4.9547 4.9566 5.1401 5.1409 7.1062 7.1063 k = 0.3726 0.5167-0.0000 ( 9692 PWs) bands (ev): -13.8219 -13.8219 -13.7805 -13.7805 -12.6698 -12.6698 -12.5456 -12.5456 -11.3431 -11.3431 -11.2449 -11.2449 -7.9293 -7.9290 -7.9281 -7.9278 -3.5685 -3.5680 -3.5555 -3.5546 -2.6466 -2.6463 -2.6048 -2.6023 -2.3035 -2.2995 -2.1700 -2.1688 -0.5247 -0.5193 -0.3423 -0.3291 -0.2501 -0.2235 -0.0555 -0.0340 0.1020 0.1077 0.3224 0.3337 0.9926 1.0034 1.0601 1.0691 1.4371 1.4422 1.5305 1.5347 1.7589 1.7743 1.8400 1.8415 4.8865 4.8917 4.9236 4.9237 4.9621 4.9630 5.1239 5.1255 7.0937 7.0939 k = 0.3593 0.5167-0.0000 ( 9691 PWs) bands (ev): -13.8241 -13.8240 -13.7841 -13.7841 -12.6686 -12.6686 -12.5488 -12.5488 -11.3426 -11.3426 -11.2479 -11.2479 -7.9259 -7.9257 -7.9243 -7.9241 -3.5650 -3.5643 -3.5508 -3.5495 -2.6402 -2.6398 -2.6030 -2.5993 -2.2955 -2.2896 -2.1719 -2.1701 -0.5188 -0.5107 -0.3443 -0.3257 -0.2549 -0.2167 -0.0653 -0.0384 0.0982 0.1097 0.3337 0.3498 0.9921 1.0083 1.0638 1.0780 1.4460 1.4542 1.5435 1.5488 1.7619 1.7847 1.8505 1.8525 4.8790 4.8877 4.9176 4.9205 4.9703 4.9708 5.1097 5.1121 7.0788 7.0791 k = 0.3460 0.5167-0.0000 ( 9691 PWs) bands (ev): -13.8265 -13.8265 -13.7881 -13.7881 -12.6676 -12.6675 -12.5521 -12.5521 -11.3420 -11.3420 -11.2509 -11.2509 -7.9222 -7.9220 -7.9199 -7.9197 -3.5612 -3.5601 -3.5456 -3.5438 -2.6335 -2.6332 -2.6008 -2.5960 -2.2862 -2.2785 -2.1724 -2.1702 -0.5123 -0.5015 -0.3455 -0.3220 -0.2582 -0.2097 -0.0753 -0.0461 0.0961 0.1149 0.3460 0.3664 0.9888 1.0098 1.0670 1.0870 1.4566 1.4682 1.5575 1.5629 1.7651 1.7949 1.8613 1.8636 4.8648 4.8751 4.9140 4.9173 4.9778 4.9794 5.0990 5.1021 7.0615 7.0619 k = 0.3327 0.5167-0.0000 ( 9684 PWs) bands (ev): -13.8293 -13.8293 -13.7924 -13.7924 -12.6667 -12.6666 -12.5556 -12.5556 -11.3415 -11.3415 -11.2539 -11.2539 -7.9180 -7.9178 -7.9150 -7.9149 -3.5569 -3.5556 -3.5399 -3.5378 -2.6268 -2.6266 -2.5983 -2.5926 -2.2755 -2.2661 -2.1713 -2.1686 -0.5053 -0.4919 -0.3461 -0.3184 -0.2598 -0.2024 -0.0854 -0.0563 0.0958 0.1228 0.3590 0.3832 0.9828 1.0083 1.0697 1.0961 1.4687 1.4840 1.5722 1.5772 1.7685 1.8048 1.8723 1.8749 4.8472 4.8582 4.9075 4.9097 4.9855 4.9877 5.0930 5.0967 7.0420 7.0425 k = 0.3194 0.5167-0.0000 ( 9683 PWs) bands (ev): -13.8324 -13.8323 -13.7970 -13.7970 -12.6658 -12.6658 -12.5592 -12.5592 -11.3409 -11.3409 -11.2568 -11.2568 -7.9133 -7.9131 -7.9098 -7.9096 -3.5523 -3.5506 -3.5339 -3.5313 -2.6204 -2.6201 -2.5954 -2.5891 -2.2635 -2.2526 -2.1684 -2.1654 -0.4979 -0.4820 -0.3463 -0.3148 -0.2596 -0.1946 -0.0957 -0.0683 0.0972 0.1324 0.3726 0.4000 0.9745 1.0040 1.0717 1.1047 1.4820 1.5012 1.5879 1.5916 1.7723 1.8144 1.8834 1.8860 4.8277 4.8394 4.8956 4.8963 4.9935 4.9960 5.0918 5.0961 7.0203 7.0209 k = 0.3061 0.5167-0.0000 ( 9685 PWs) bands (ev): -13.8357 -13.8356 -13.8019 -13.8018 -12.6651 -12.6650 -12.5629 -12.5629 -11.3403 -11.3403 -11.2598 -11.2598 -7.9083 -7.9081 -7.9042 -7.9040 -3.5474 -3.5454 -3.5276 -3.5247 -2.6146 -2.6138 -2.5922 -2.5855 -2.2500 -2.2378 -2.1635 -2.1602 -0.4904 -0.4720 -0.3462 -0.3116 -0.2576 -0.1862 -0.1059 -0.0813 0.1002 0.1432 0.3865 0.4168 0.9643 0.9974 1.0728 1.1127 1.4963 1.5197 1.6044 1.6062 1.7764 1.8237 1.8944 1.8970 4.8070 4.8194 4.8776 4.8787 5.0018 5.0044 5.0946 5.0996 6.9966 6.9972 k = 0.2928 0.5167-0.0000 ( 9677 PWs) bands (ev): -13.8392 -13.8391 -13.8069 -13.8069 -12.6645 -12.6644 -12.5667 -12.5667 -11.3398 -11.3397 -11.2627 -11.2627 -7.9030 -7.9027 -7.8983 -7.8982 -3.5422 -3.5398 -3.5211 -3.5178 -2.6096 -2.6078 -2.5887 -2.5821 -2.2351 -2.2218 -2.1563 -2.1529 -0.4827 -0.4621 -0.3461 -0.3092 -0.2539 -0.1774 -0.1155 -0.0946 0.1046 0.1545 0.4005 0.4332 0.9527 0.9890 1.0729 1.1195 1.5114 1.5390 1.6210 1.6217 1.7809 1.8326 1.9053 1.9078 4.7854 4.7986 4.8549 4.8578 5.0103 5.0130 5.1003 5.1058 6.9710 6.9717 k = 0.2795 0.5167-0.0000 ( 9695 PWs) bands (ev): -13.8429 -13.8428 -13.8121 -13.8121 -12.6640 -12.6639 -12.5707 -12.5706 -11.3392 -11.3391 -11.2656 -11.2656 -7.8973 -7.8971 -7.8922 -7.8921 -3.5367 -3.5340 -3.5145 -3.5109 -2.6053 -2.6024 -2.5851 -2.5788 -2.2187 -2.2046 -2.1467 -2.1434 -0.4751 -0.4526 -0.3462 -0.3079 -0.2483 -0.1681 -0.1241 -0.1077 0.1101 0.1659 0.4144 0.4491 0.9402 0.9792 1.0718 1.1250 1.5269 1.5589 1.6361 1.6397 1.7858 1.8411 1.9159 1.9183 4.7633 4.7772 4.8295 4.8341 5.0188 5.0216 5.1076 5.1138 6.9438 6.9445 k = 0.2662 0.5167-0.0000 ( 9701 PWs) bands (ev): -13.8467 -13.8466 -13.8174 -13.8174 -12.6635 -12.6634 -12.5747 -12.5746 -11.3385 -11.3385 -11.2685 -11.2685 -7.8915 -7.8912 -7.8860 -7.8858 -3.5311 -3.5280 -3.5079 -3.5039 -2.6017 -2.5976 -2.5815 -2.5758 -2.2008 -2.1862 -2.1347 -2.1316 -0.4677 -0.4437 -0.3469 -0.3083 -0.2412 -0.1586 -0.1311 -0.1200 0.1167 0.1772 0.4280 0.4644 0.9272 0.9685 1.0695 1.1289 1.5427 1.5792 1.6515 1.6584 1.7910 1.8491 1.9263 1.9284 4.7408 4.7555 4.8024 4.8087 5.0273 5.0302 5.1159 5.1227 6.9151 6.9158 k = 0.2529 0.5167-0.0000 ( 9699 PWs) bands (ev): -13.8506 -13.8505 -13.8228 -13.8228 -12.6631 -12.6630 -12.5787 -12.5787 -11.3379 -11.3379 -11.2714 -11.2714 -7.8854 -7.8851 -7.8796 -7.8794 -3.5253 -3.5218 -3.5013 -3.4969 -2.5986 -2.5934 -2.5783 -2.5731 -2.1815 -2.1666 -2.1201 -2.1175 -0.4607 -0.4356 -0.3486 -0.3107 -0.2325 -0.1492 -0.1358 -0.1309 0.1242 0.1879 0.4412 0.4788 0.9142 0.9573 1.0661 1.1311 1.5585 1.5995 1.6671 1.6776 1.7967 1.8566 1.9362 1.9382 4.7181 4.7337 4.7744 4.7823 5.0356 5.0387 5.1246 5.1318 6.8853 6.8860 k = 0.2396 0.5167-0.0000 ( 9687 PWs) bands (ev): -13.8545 -13.8544 -13.8283 -13.8282 -12.6627 -12.6626 -12.5828 -12.5828 -11.3372 -11.3372 -11.2743 -11.2742 -7.8793 -7.8789 -7.8732 -7.8730 -3.5194 -3.5156 -3.4947 -3.4900 -2.5960 -2.5898 -2.5756 -2.5709 -2.1608 -2.1459 -2.1032 -2.1010 -0.4541 -0.4287 -0.3517 -0.3155 -0.2227 -0.1423 -0.1399 -0.1359 0.1325 0.1979 0.4537 0.4921 0.9018 0.9460 1.0616 1.1316 1.5741 1.6196 1.6830 1.6972 1.8027 1.8637 1.9456 1.9476 4.6954 4.7119 4.7461 4.7556 5.0438 5.0472 5.1332 5.1409 6.8546 6.8552 k = 0.2262 0.5167-0.0000 ( 9687 PWs) bands (ev): -13.8584 -13.8583 -13.8337 -13.8337 -12.6623 -12.6622 -12.5869 -12.5869 -11.3365 -11.3365 -11.2771 -11.2771 -7.8730 -7.8727 -7.8668 -7.8666 -3.5135 -3.5093 -3.4884 -3.4834 -2.5938 -2.5867 -2.5734 -2.5690 -2.1388 -2.1240 -2.0840 -2.0825 -0.4483 -0.4229 -0.3565 -0.3226 -0.2121 -0.1466 -0.1411 -0.1286 0.1417 0.2072 0.4655 0.5044 0.8902 0.9351 1.0561 1.1303 1.5895 1.6394 1.6988 1.7171 1.8092 1.8702 1.9544 1.9565 4.6729 4.6902 4.7179 4.7289 5.0519 5.0556 5.1414 5.1496 6.8232 6.8239 k = 0.2129 0.5167-0.0000 ( 9685 PWs) bands (ev): -13.8623 -13.8622 -13.8391 -13.8391 -12.6620 -12.6618 -12.5910 -12.5910 -11.3358 -11.3358 -11.2799 -11.2799 -7.8668 -7.8664 -7.8605 -7.8602 -3.5076 -3.5030 -3.4822 -3.4769 -2.5919 -2.5842 -2.5718 -2.5676 -2.1156 -2.1010 -2.0628 -2.0620 -0.4435 -0.4186 -0.3632 -0.3316 -0.2012 -0.1504 -0.1394 -0.1207 0.1521 0.2156 0.4763 0.5152 0.8799 0.9247 1.0496 1.1273 1.6046 1.6586 1.7145 1.7371 1.8162 1.8763 1.9627 1.9650 4.6507 4.6689 4.6902 4.7026 5.0598 5.0639 5.1492 5.1578 6.7916 6.7922 k = 0.1996 0.5167-0.0000 ( 9697 PWs) bands (ev): -13.8661 -13.8660 -13.8444 -13.8444 -12.6616 -12.6614 -12.5951 -12.5951 -11.3351 -11.3351 -11.2826 -11.2826 -7.8606 -7.8602 -7.8543 -7.8540 -3.5017 -3.4968 -3.4763 -3.4707 -2.5903 -2.5821 -2.5707 -2.5666 -2.0913 -2.0770 -2.0399 -2.0397 -0.4399 -0.4159 -0.3718 -0.3421 -0.1905 -0.1513 -0.1365 -0.1140 0.1638 0.2234 0.4863 0.5246 0.8713 0.9153 1.0423 1.1226 1.6193 1.6771 1.7297 1.7568 1.8238 1.8820 1.9704 1.9729 4.6290 4.6480 4.6632 4.6771 5.0677 5.0721 5.1564 5.1653 6.7599 6.7606 k = 0.1863 0.5167-0.0000 ( 9687 PWs) bands (ev): -13.8699 -13.8698 -13.8496 -13.8496 -12.6612 -12.6610 -12.5992 -12.5992 -11.3343 -11.3343 -11.2854 -11.2853 -7.8545 -7.8541 -7.8482 -7.8480 -3.4959 -3.4906 -3.4707 -3.4649 -2.5889 -2.5805 -2.5700 -2.5659 -2.0661 -2.0520 -2.0161 -2.0155 -0.4378 -0.4153 -0.3819 -0.3533 -0.1809 -0.1493 -0.1327 -0.1091 0.1771 0.2307 0.4951 0.5324 0.8645 0.9070 1.0344 1.1163 1.6335 1.6949 1.7439 1.7761 1.8321 1.8874 1.9773 1.9804 4.6077 4.6276 4.6373 4.6525 5.0754 5.0803 5.1628 5.1720 6.7286 6.7293 k = 0.1730 0.5167-0.0000 ( 9681 PWs) bands (ev): -13.8734 -13.8733 -13.8547 -13.8547 -12.6608 -12.6606 -12.6032 -12.6032 -11.3334 -11.3334 -11.2880 -11.2880 -7.8486 -7.8482 -7.8424 -7.8421 -3.4902 -3.4846 -3.4655 -3.4594 -2.5876 -2.5791 -2.5698 -2.5656 -2.0401 -2.0262 -1.9914 -1.9902 -0.4379 -0.4176 -0.3921 -0.3645 -0.1728 -0.1446 -0.1285 -0.1062 0.1922 0.2380 0.5030 0.5384 0.8598 0.9002 1.0260 1.1086 1.6473 1.7117 1.7567 1.7944 1.8414 1.8928 1.9836 1.9873 4.5872 4.6079 4.6127 4.6290 5.0831 5.0883 5.1684 5.1779 6.6980 6.6987 k = 0.1597 0.5167-0.0000 ( 9676 PWs) bands (ev): -13.8768 -13.8767 -13.8596 -13.8596 -12.6603 -12.6601 -12.6072 -12.6071 -11.3326 -11.3326 -11.2907 -11.2906 -7.8429 -7.8424 -7.8369 -7.8366 -3.4847 -3.4788 -3.4607 -3.4544 -2.5866 -2.5781 -2.5699 -2.5654 -2.0136 -1.9999 -1.9659 -1.9642 -0.4405 -0.4241 -0.4009 -0.3748 -0.1664 -0.1382 -0.1245 -0.1056 0.2093 0.2457 0.5097 0.5427 0.8572 0.8948 1.0173 1.0995 1.6607 1.7277 1.7679 1.8113 1.8518 1.8984 1.9891 1.9937 4.5673 4.5890 4.5895 4.6069 5.0907 5.0963 5.1732 5.1830 6.6684 6.6692 k = 0.1464 0.5167-0.0000 ( 9672 PWs) bands (ev): -13.8800 -13.8799 -13.8642 -13.8642 -12.6597 -12.6595 -12.6110 -12.6110 -11.3316 -11.3316 -11.2932 -11.2932 -7.8374 -7.8369 -7.8316 -7.8313 -3.4794 -3.4732 -3.4563 -3.4498 -2.5857 -2.5774 -2.5702 -2.5655 -1.9868 -1.9733 -1.9402 -1.9379 -0.4459 -0.4350 -0.4076 -0.3839 -0.1611 -0.1314 -0.1210 -0.1068 0.2284 0.2544 0.5152 0.5451 0.8566 0.8910 1.0084 1.0892 1.6736 1.7426 1.7770 1.8262 1.8634 1.9049 1.9939 1.9995 4.5484 4.5679 4.5709 4.5863 5.0982 5.1042 5.1771 5.1871 6.6401 6.6409 k = 0.1331 0.5167-0.0000 ( 9671 PWs) bands (ev): -13.8830 -13.8829 -13.8687 -13.8686 -12.6590 -12.6588 -12.6148 -12.6148 -11.3307 -11.3307 -11.2958 -11.2957 -7.8322 -7.8317 -7.8267 -7.8264 -3.4743 -3.4678 -3.4524 -3.4457 -2.5850 -2.5768 -2.5707 -2.5657 -1.9601 -1.9466 -1.9146 -1.9117 -0.4538 -0.4483 -0.4140 -0.3919 -0.1565 -0.1253 -0.1187 -0.1091 0.2494 0.2646 0.5196 0.5456 0.8578 0.8888 0.9993 1.0777 1.6860 1.7566 1.7842 1.8384 1.8758 1.9125 1.9978 2.0046 4.5305 4.5480 4.5538 4.5672 5.1056 5.1120 5.1802 5.1904 6.6134 6.6142 k = 0.1198 0.5167-0.0000 ( 9669 PWs) bands (ev): -13.8857 -13.8856 -13.8728 -13.8728 -12.6582 -12.6581 -12.6185 -12.6185 -11.3296 -11.3296 -11.2982 -11.2982 -7.8273 -7.8269 -7.8222 -7.8219 -3.4694 -3.4627 -3.4490 -3.4421 -2.5843 -2.5763 -2.5714 -2.5660 -1.9336 -1.9203 -1.8896 -1.8861 -0.4631 -0.4622 -0.4211 -0.3995 -0.1524 -0.1205 -0.1190 -0.1109 0.2718 0.2766 0.5228 0.5442 0.8605 0.8881 0.9904 1.0654 1.6978 1.7696 1.7896 1.8475 1.8888 1.9217 2.0009 2.0091 4.5138 4.5297 4.5378 4.5498 5.1129 5.1197 5.1825 5.1928 6.5887 6.5894 k = 0.1065 0.5167-0.0000 ( 9676 PWs) bands (ev): -13.8881 -13.8880 -13.8767 -13.8767 -12.6574 -12.6572 -12.6221 -12.6220 -11.3285 -11.3285 -11.3006 -11.3006 -7.8228 -7.8224 -7.8182 -7.8178 -3.4648 -3.4579 -3.4460 -3.4390 -2.5837 -2.5759 -2.5721 -2.5664 -1.9077 -1.8946 -1.8657 -1.8616 -0.4757 -0.4730 -0.4295 -0.4075 -0.1488 -0.1222 -0.1172 -0.1112 0.2906 0.2954 0.5246 0.5408 0.8646 0.8890 0.9815 1.0522 1.7092 1.7815 1.7933 1.8537 1.9020 1.9323 2.0032 2.0128 4.4985 4.5132 4.5231 4.5339 5.1200 5.1272 5.1839 5.1943 6.5660 6.5668 k = 0.0932 0.5167-0.0000 ( 9678 PWs) bands (ev): -13.8902 -13.8901 -13.8802 -13.8802 -12.6564 -12.6562 -12.6255 -12.6254 -11.3274 -11.3274 -11.3030 -11.3029 -7.8187 -7.8183 -7.8145 -7.8142 -3.4606 -3.4535 -3.4436 -3.4364 -2.5831 -2.5755 -2.5728 -2.5670 -1.8829 -1.8699 -1.8435 -1.8388 -0.4883 -0.4825 -0.4392 -0.4164 -0.1455 -0.1262 -0.1154 -0.1114 0.3066 0.3198 0.5249 0.5354 0.8698 0.8912 0.9728 1.0384 1.7200 1.7925 1.7955 1.8572 1.9151 1.9436 2.0046 2.0158 4.4848 4.4983 4.5099 4.5198 5.1270 5.1346 5.1845 5.1949 6.5458 6.5465 k = 0.0799 0.5167-0.0000 ( 9687 PWs) bands (ev): -13.8920 -13.8919 -13.8834 -13.8834 -12.6552 -12.6551 -12.6288 -12.6287 -11.3261 -11.3261 -11.3052 -11.3052 -7.8151 -7.8146 -7.8114 -7.8110 -3.4566 -3.4494 -3.4417 -3.4344 -2.5826 -2.5752 -2.5737 -2.5675 -1.8595 -1.8468 -1.8235 -1.8180 -0.4993 -0.4907 -0.4501 -0.4265 -0.1425 -0.1298 -0.1148 -0.1123 0.3244 0.3443 0.5237 0.5280 0.8757 0.8948 0.9643 1.0242 1.7303 1.7964 1.8025 1.8587 1.9278 1.9552 2.0050 2.0179 4.4729 4.4852 4.4983 4.5072 5.1338 5.1417 5.1842 5.1947 6.5283 6.5288 k = 0.0665 0.5167-0.0000 ( 9691 PWs) bands (ev): -13.8934 -13.8933 -13.8863 -13.8862 -12.6539 -12.6538 -12.6319 -12.6318 -11.3248 -11.3248 -11.3074 -11.3074 -7.8119 -7.8114 -7.8087 -7.8084 -3.4531 -3.4457 -3.4404 -3.4329 -2.5820 -2.5748 -2.5745 -2.5682 -1.8381 -1.8256 -1.8062 -1.7999 -0.5082 -0.4972 -0.4618 -0.4377 -0.1397 -0.1325 -0.1153 -0.1140 0.3435 0.3687 0.5186 0.5206 0.8821 0.8997 0.9560 1.0098 1.7400 1.7960 1.8115 1.8588 1.9399 1.9665 2.0045 2.0190 4.4629 4.4737 4.4885 4.4963 5.1404 5.1486 5.1833 5.1937 6.5135 6.5139 k = 0.0532 0.5167-0.0000 ( 9691 PWs) bands (ev): -13.8944 -13.8944 -13.8887 -13.8887 -12.6525 -12.6523 -12.6349 -12.6348 -11.3235 -11.3235 -11.3095 -11.3095 -7.8092 -7.8087 -7.8066 -7.8062 -3.4498 -3.4423 -3.4395 -3.4320 -2.5814 -2.5753 -2.5743 -2.5689 -1.8189 -1.8067 -1.7921 -1.7850 -0.5148 -0.5015 -0.4738 -0.4496 -0.1370 -0.1339 -0.1165 -0.1163 0.3635 0.3924 0.5072 0.5155 0.8890 0.9059 0.9480 0.9954 1.7491 1.7945 1.8197 1.8576 1.9511 1.9770 2.0030 2.0191 4.4548 4.4639 4.4805 4.4871 5.1467 5.1553 5.1815 5.1919 6.5016 6.5018 k = 0.0399 0.5167-0.0000 ( 9689 PWs) bands (ev): -13.8951 -13.8950 -13.8908 -13.8908 -12.6509 -12.6508 -12.6377 -12.6376 -11.3220 -11.3220 -11.3115 -11.3115 -7.8070 -7.8065 -7.8050 -7.8046 -3.4470 -3.4395 -3.4391 -3.4316 -2.5808 -2.5762 -2.5738 -2.5696 -1.8025 -1.7907 -1.7816 -1.7737 -0.5186 -0.5032 -0.4855 -0.4616 -0.1343 -0.1341 -0.1191 -0.1184 0.3840 0.4149 0.4940 0.5082 0.8960 0.9133 0.9402 0.9812 1.7576 1.7920 1.8270 1.8555 1.9615 1.9865 2.0004 2.0182 4.4489 4.4560 4.4745 4.4797 5.1526 5.1616 5.1791 5.1894 6.4928 6.4928 k = 0.0266 0.5167-0.0000 ( 9686 PWs) bands (ev): -13.8954 -13.8953 -13.8925 -13.8925 -12.6491 -12.6490 -12.6403 -12.6402 -11.3205 -11.3205 -11.3135 -11.3135 -7.8053 -7.8048 -7.8040 -7.8036 -3.4446 -3.4393 -3.4369 -3.4316 -2.5801 -2.5770 -2.5732 -2.5703 -1.7893 -1.7780 -1.7749 -1.7663 -0.5196 -0.5022 -0.4963 -0.4731 -0.1331 -0.1316 -0.1223 -0.1207 0.4045 0.4359 0.4789 0.4985 0.9032 0.9219 0.9326 0.9676 1.7653 1.7884 1.8336 1.8525 1.9707 1.9950 1.9967 2.0160 4.4450 4.4498 4.4705 4.4740 5.1583 5.1675 5.1761 5.1862 6.4869 6.4872 k = 0.0133 0.5167-0.0000 ( 9680 PWs) bands (ev): -13.8953 -13.8952 -13.8938 -13.8938 -12.6472 -12.6471 -12.6428 -12.6427 -11.3189 -11.3188 -11.3154 -11.3153 -7.8041 -7.8038 -7.8034 -7.8030 -3.4426 -3.4399 -3.4349 -3.4322 -2.5794 -2.5778 -2.5725 -2.5711 -1.7797 -1.7724 -1.7690 -1.7630 -0.5176 -0.5056 -0.4984 -0.4835 -0.1312 -0.1288 -0.1255 -0.1232 0.4247 0.4550 0.4621 0.4865 0.9105 0.9252 0.9317 0.9547 1.7723 1.7839 1.8394 1.8488 1.9789 1.9919 2.0021 2.0127 4.4431 4.4456 4.4684 4.4703 5.1635 5.1724 5.1730 5.1824 6.4841 6.4847 k = 0.0000 0.5167-0.0000 ( 9682 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8036 -7.8036 -7.8031 -7.8031 -3.4410 -3.4410 -3.4333 -3.4333 -2.5786 -2.5786 -2.5718 -2.5718 -1.7740 -1.7740 -1.7639 -1.7639 -0.5129 -0.5129 -0.4921 -0.4921 -0.1286 -0.1286 -0.1260 -0.1260 0.4440 0.4440 0.4719 0.4719 0.9178 0.9178 0.9427 0.9427 1.7785 1.7785 1.8445 1.8445 1.9860 1.9860 2.0081 2.0081 4.4434 4.4434 4.4684 4.4684 5.1682 5.1682 5.1779 5.1779 6.4844 6.4844 k = 0.0000 0.5167-0.0000 ( 9682 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8036 -7.8036 -7.8031 -7.8031 -3.4410 -3.4410 -3.4333 -3.4333 -2.5786 -2.5786 -2.5718 -2.5718 -1.7740 -1.7740 -1.7639 -1.7639 -0.5129 -0.5129 -0.4921 -0.4921 -0.1286 -0.1286 -0.1260 -0.1260 0.4440 0.4440 0.4719 0.4719 0.9178 0.9178 0.9427 0.9427 1.7785 1.7785 1.8445 1.8445 1.9860 1.9860 2.0081 2.0081 4.4434 4.4434 4.4684 4.4684 5.1682 5.1682 5.1779 5.1779 6.4844 6.4844 k = 0.0000 0.5167 0.0132 ( 9682 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8036 -7.8036 -7.8031 -7.8031 -3.4408 -3.4408 -3.4331 -3.4331 -2.5794 -2.5793 -2.5725 -2.5725 -1.7733 -1.7732 -1.7630 -1.7629 -0.5148 -0.5148 -0.4942 -0.4942 -0.1329 -0.1328 -0.1184 -0.1184 0.4434 0.4434 0.4747 0.4747 0.9170 0.9170 0.9427 0.9427 1.7738 1.7738 1.8384 1.8384 1.9909 1.9909 2.0126 2.0126 4.4433 4.4433 4.4684 4.4684 5.1681 5.1681 5.1779 5.1779 6.4844 6.4845 k = 0.0000 0.5167 0.0265 ( 9682 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8036 -7.8036 -7.8031 -7.8031 -3.4401 -3.4401 -3.4326 -3.4325 -2.5816 -2.5815 -2.5744 -2.5743 -1.7711 -1.7710 -1.7602 -1.7602 -0.5203 -0.5202 -0.5004 -0.5003 -0.1350 -0.1349 -0.1070 -0.1069 0.4424 0.4424 0.4821 0.4822 0.9149 0.9150 0.9428 0.9428 1.7608 1.7608 1.8226 1.8227 2.0035 2.0036 2.0247 2.0247 4.4429 4.4429 4.4684 4.4684 5.1678 5.1679 5.1777 5.1777 6.4845 6.4846 k = 0.0000 0.5167 0.0397 ( 9678 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8036 -7.8036 -7.8031 -7.8031 -3.4390 -3.4390 -3.4316 -3.4316 -2.5850 -2.5849 -2.5774 -2.5774 -1.7675 -1.7674 -1.7558 -1.7558 -0.5287 -0.5287 -0.5100 -0.5099 -0.1341 -0.1341 -0.0935 -0.0934 0.4424 0.4425 0.4927 0.4927 0.9117 0.9118 0.9426 0.9427 1.7421 1.7421 1.8011 1.8012 2.0204 2.0205 2.0414 2.0414 4.4424 4.4424 4.4684 4.4684 5.1674 5.1674 5.1773 5.1773 6.4848 6.4848 k = 0.0000 0.5167 0.0530 ( 9686 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8036 -7.8036 -7.8031 -7.8031 -3.4376 -3.4376 -3.4304 -3.4304 -2.5893 -2.5893 -2.5814 -2.5813 -1.7628 -1.7627 -1.7503 -1.7502 -0.5393 -0.5392 -0.5220 -0.5220 -0.1310 -0.1310 -0.0789 -0.0789 0.4440 0.4440 0.5053 0.5054 0.9077 0.9077 0.9421 0.9421 1.7203 1.7203 1.7772 1.7772 2.0391 2.0392 2.0599 2.0600 4.4418 4.4418 4.4684 4.4684 5.1669 5.1669 5.1769 5.1769 6.4851 6.4852 k = 0.0000 0.5167 0.0662 ( 9692 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8036 -7.8036 -7.8031 -7.8031 -3.4359 -3.4358 -3.4290 -3.4290 -2.5943 -2.5943 -2.5861 -2.5860 -1.7572 -1.7571 -1.7439 -1.7438 -0.5511 -0.5510 -0.5356 -0.5355 -0.1264 -0.1263 -0.0642 -0.0642 0.4471 0.4471 0.5193 0.5193 0.9031 0.9032 0.9409 0.9410 1.6974 1.6975 1.7527 1.7527 2.0578 2.0579 2.0785 2.0785 4.4411 4.4411 4.4685 4.4685 5.1663 5.1663 5.1763 5.1763 6.4854 6.4855 k = 0.0000 0.5167 0.0795 ( 9682 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8037 -7.8037 -7.8031 -7.8031 -3.4340 -3.4340 -3.4275 -3.4275 -2.5996 -2.5995 -2.5911 -2.5910 -1.7511 -1.7510 -1.7371 -1.7370 -0.5631 -0.5630 -0.5496 -0.5496 -0.1210 -0.1210 -0.0502 -0.0502 0.4516 0.4516 0.5340 0.5340 0.8983 0.8984 0.9392 0.9392 1.6750 1.6750 1.7290 1.7290 2.0755 2.0756 2.0959 2.0960 4.4403 4.4403 4.4685 4.4685 5.1656 5.1656 5.1758 5.1758 6.4858 6.4859 k = 0.0000 0.5167 0.0927 ( 9686 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8037 -7.8037 -7.8031 -7.8031 -3.4321 -3.4321 -3.4260 -3.4259 -2.6048 -2.6047 -2.5961 -2.5961 -1.7450 -1.7449 -1.7304 -1.7303 -0.5746 -0.5745 -0.5632 -0.5632 -0.1155 -0.1155 -0.0375 -0.0375 0.4570 0.4570 0.5485 0.5485 0.8936 0.8936 0.9369 0.9369 1.6542 1.6542 1.7072 1.7072 2.0915 2.0915 2.1115 2.1115 4.4395 4.4395 4.4685 4.4685 5.1650 5.1650 5.1752 5.1752 6.4862 6.4863 k = 0.0000 0.5167 0.1060 ( 9672 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8037 -7.8037 -7.8032 -7.8032 -3.4303 -3.4303 -3.4246 -3.4245 -2.6095 -2.6095 -2.6008 -2.6008 -1.7392 -1.7392 -1.7242 -1.7241 -0.5848 -0.5847 -0.5756 -0.5755 -0.1105 -0.1104 -0.0267 -0.0267 0.4629 0.4629 0.5621 0.5621 0.8892 0.8892 0.9342 0.9342 1.6360 1.6360 1.6881 1.6881 2.1051 2.1051 2.1247 2.1248 4.4388 4.4388 4.4684 4.4685 5.1643 5.1644 5.1747 5.1747 6.4866 6.4867 k = 0.0000 0.5167 0.1192 ( 9672 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8037 -7.8037 -7.8032 -7.8032 -3.4288 -3.4287 -3.4234 -3.4233 -2.6136 -2.6135 -2.6049 -2.6048 -1.7342 -1.7342 -1.7189 -1.7188 -0.5931 -0.5930 -0.5862 -0.5861 -0.1062 -0.1062 -0.0180 -0.0180 0.4685 0.4685 0.5739 0.5739 0.8854 0.8854 0.9314 0.9314 1.6210 1.6210 1.6724 1.6724 2.1161 2.1161 2.1353 2.1353 4.4382 4.4382 4.4684 4.4684 5.1638 5.1638 5.1742 5.1742 6.4870 6.4870 k = 0.0000 0.5167 0.1325 ( 9676 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8037 -7.8037 -7.8032 -7.8032 -3.4275 -3.4275 -3.4224 -3.4224 -2.6166 -2.6166 -2.6080 -2.6080 -1.7304 -1.7304 -1.7149 -1.7148 -0.5992 -0.5991 -0.5943 -0.5942 -0.1030 -0.1030 -0.0116 -0.0116 0.4731 0.4731 0.5831 0.5831 0.8826 0.8826 0.9288 0.9289 1.6099 1.6099 1.6607 1.6607 2.1241 2.1241 2.1430 2.1430 4.4377 4.4377 4.4684 4.4684 5.1634 5.1634 5.1738 5.1738 6.4872 6.4873 k = 0.0000 0.5167 0.1457 ( 9678 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8038 -7.8038 -7.8032 -7.8032 -3.4268 -3.4268 -3.4219 -3.4219 -2.6185 -2.6185 -2.6100 -2.6099 -1.7280 -1.7279 -1.7123 -1.7123 -0.6026 -0.6025 -0.5997 -0.5996 -0.1010 -0.1010 -0.0078 -0.0078 0.4762 0.4762 0.5889 0.5890 0.8808 0.8808 0.9271 0.9271 1.6030 1.6030 1.6535 1.6535 2.1290 2.1290 2.1477 2.1477 4.4374 4.4374 4.4684 4.4684 5.1632 5.1632 5.1736 5.1736 6.4874 6.4874 k = 0.0000 0.5167 0.1590 ( 9676 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8038 -7.8038 -7.8032 -7.8032 -3.4265 -3.4265 -3.4217 -3.4217 -2.6192 -2.6192 -2.6106 -2.6106 -1.7271 -1.7271 -1.7115 -1.7115 -0.6036 -0.6036 -0.6017 -0.6017 -0.1003 -0.1003 -0.0065 -0.0065 0.4773 0.4773 0.5910 0.5910 0.8802 0.8802 0.9264 0.9264 1.6007 1.6007 1.6511 1.6511 2.1306 2.1306 2.1493 2.1493 4.4373 4.4373 4.4684 4.4684 5.1631 5.1631 5.1736 5.1736 6.4875 6.4875 k = 0.0000 0.5167 0.1590 ( 9676 PWs) bands (ev): -13.8949 -13.8949 -13.8946 -13.8946 -12.6451 -12.6451 -12.6449 -12.6449 -11.3172 -11.3172 -11.3170 -11.3170 -7.8038 -7.8038 -7.8032 -7.8032 -3.4265 -3.4265 -3.4217 -3.4217 -2.6192 -2.6192 -2.6106 -2.6106 -1.7271 -1.7271 -1.7115 -1.7115 -0.6036 -0.6036 -0.6017 -0.6017 -0.1003 -0.1003 -0.0065 -0.0065 0.4773 0.4773 0.5910 0.5910 0.8802 0.8802 0.9264 0.9264 1.6007 1.6007 1.6511 1.6511 2.1306 2.1306 2.1493 2.1493 4.4373 4.4373 4.4684 4.4684 5.1631 5.1631 5.1736 5.1736 6.4875 6.4875 k = 0.0133 0.5167 0.1590 ( 9680 PWs) bands (ev): -13.8947 -13.8947 -13.8944 -13.8944 -12.6451 -12.6450 -12.6449 -12.6448 -11.3173 -11.3172 -11.3169 -11.3168 -7.8043 -7.8039 -7.8036 -7.8031 -3.4274 -3.4261 -3.4222 -3.4217 -2.6204 -2.6178 -2.6122 -2.6089 -1.7307 -1.7278 -1.7152 -1.7120 -0.6043 -0.6028 -0.6014 -0.5989 -0.1038 -0.0952 -0.0090 -0.0025 0.4712 0.4807 0.5813 0.5970 0.8727 0.8898 0.9215 0.9323 1.5960 1.6053 1.6453 1.6566 2.1216 2.1379 2.1390 2.1578 4.4357 4.4412 4.4668 4.4722 5.1602 5.1653 5.1704 5.1760 6.4826 6.4848 k = 0.0266 0.5167 0.1590 ( 9670 PWs) bands (ev): -13.8941 -13.8941 -13.8938 -13.8938 -12.6449 -12.6448 -12.6446 -12.6445 -11.3174 -11.3173 -11.3166 -11.3165 -7.8055 -7.8050 -7.8041 -7.8036 -3.4288 -3.4263 -3.4233 -3.4222 -2.6216 -2.6164 -2.6136 -2.6070 -1.7386 -1.7328 -1.7231 -1.7169 -0.6035 -0.6024 -0.5978 -0.5947 -0.1055 -0.0886 -0.0099 0.0026 0.4628 0.4813 0.5685 0.5989 0.8676 0.9006 0.9175 0.9390 1.5911 1.6096 1.6395 1.6618 2.1109 2.1273 2.1433 2.1646 4.4365 4.4472 4.4674 4.4781 5.1568 5.1666 5.1670 5.1778 6.4808 6.4833 k = 0.0399 0.5167 0.1590 ( 9660 PWs) bands (ev): -13.8931 -13.8931 -13.8928 -13.8928 -12.6445 -12.6444 -12.6441 -12.6440 -11.3173 -11.3172 -11.3162 -11.3161 -7.8072 -7.8067 -7.8052 -7.8047 -3.4308 -3.4270 -3.4249 -3.4233 -2.6227 -2.6150 -2.6147 -2.6050 -1.7504 -1.7419 -1.7349 -1.7258 -0.6013 -0.6006 -0.5932 -0.5890 -0.1055 -0.0808 -0.0089 0.0085 0.4524 0.4791 0.5534 0.5966 0.8655 0.9120 0.9146 0.9462 1.5862 1.6136 1.6337 1.6665 2.0988 2.1141 2.1468 2.1695 4.4395 4.4554 4.4702 4.4860 5.1528 5.1624 5.1679 5.1789 6.4821 6.4850 k = 0.0532 0.5167 0.1590 ( 9666 PWs) bands (ev): -13.8917 -13.8917 -13.8914 -13.8914 -12.6440 -12.6439 -12.6434 -12.6434 -11.3172 -11.3171 -11.3157 -11.3156 -7.8094 -7.8089 -7.8068 -7.8063 -3.4333 -3.4283 -3.4270 -3.4249 -2.6238 -2.6159 -2.6133 -2.6029 -1.7658 -1.7547 -1.7502 -1.7385 -0.5980 -0.5976 -0.5877 -0.5823 -0.1039 -0.0719 -0.0061 0.0148 0.4406 0.4742 0.5365 0.5905 0.8661 0.9128 0.9235 0.9538 1.5813 1.6172 1.6281 1.6706 2.0853 2.0997 2.1482 2.1724 4.4449 4.4657 4.4751 4.4960 5.1484 5.1576 5.1681 5.1792 6.4865 6.4897 k = 0.0665 0.5167 0.1590 ( 9670 PWs) bands (ev): -13.8900 -13.8899 -13.8897 -13.8896 -12.6433 -12.6432 -12.6426 -12.6425 -11.3170 -11.3169 -11.3151 -11.3151 -7.8121 -7.8116 -7.8089 -7.8084 -3.4363 -3.4301 -3.4296 -3.4271 -2.6248 -2.6169 -2.6117 -2.6006 -1.7845 -1.7709 -1.7686 -1.7547 -0.5939 -0.5936 -0.5817 -0.5748 -0.1010 -0.0623 -0.0016 0.0207 0.4279 0.4671 0.5184 0.5810 0.8693 0.9119 0.9347 0.9615 1.5765 1.6205 1.6229 1.6741 2.0707 2.0843 2.1475 2.1732 4.4525 4.4778 4.4822 4.5078 5.1437 5.1524 5.1676 5.1787 6.4941 6.4975 k = 0.0799 0.5167 0.1590 ( 9680 PWs) bands (ev): -13.8879 -13.8878 -13.8876 -13.8875 -12.6425 -12.6423 -12.6416 -12.6416 -11.3167 -11.3166 -11.3145 -11.3145 -7.8153 -7.8148 -7.8115 -7.8110 -3.4398 -3.4327 -3.4324 -3.4297 -2.6257 -2.6178 -2.6101 -2.5983 -1.8059 -1.7900 -1.7897 -1.7738 -0.5897 -0.5887 -0.5754 -0.5666 -0.0972 -0.0523 0.0044 0.0260 0.4147 0.4583 0.4996 0.5691 0.8744 0.9116 0.9451 0.9693 1.5718 1.6181 1.6232 1.6767 2.0550 2.0679 2.1446 2.1720 4.4623 4.4913 4.4918 4.5214 5.1385 5.1469 5.1664 5.1773 6.5047 6.5083 k = 0.0932 0.5167 0.1590 ( 9672 PWs) bands (ev): -13.8854 -13.8853 -13.8851 -13.8850 -12.6415 -12.6413 -12.6405 -12.6405 -11.3163 -11.3162 -11.3138 -11.3138 -7.8190 -7.8185 -7.8147 -7.8142 -3.4437 -3.4362 -3.4352 -3.4329 -2.6267 -2.6186 -2.6085 -2.5959 -1.8295 -1.8128 -1.8116 -1.7953 -0.5854 -0.5835 -0.5689 -0.5582 -0.0930 -0.0421 0.0112 0.0302 0.4014 0.4486 0.4806 0.5558 0.8809 0.9119 0.9545 0.9770 1.5672 1.6139 1.6256 1.6786 2.0385 2.0509 2.1397 2.1686 4.4743 4.5024 4.5074 4.5366 5.1332 5.1411 5.1644 5.1752 6.5185 6.5221 k = 0.1065 0.5167 0.1590 ( 9676 PWs) bands (ev): -13.8826 -13.8825 -13.8823 -13.8822 -12.6403 -12.6402 -12.6393 -12.6393 -11.3158 -11.3157 -11.3131 -11.3130 -7.8231 -7.8226 -7.8183 -7.8178 -3.4481 -3.4402 -3.4385 -3.4365 -2.6278 -2.6193 -2.6070 -2.5936 -1.8548 -1.8376 -1.8350 -1.8187 -0.5813 -0.5784 -0.5624 -0.5497 -0.0891 -0.0320 0.0171 0.0342 0.3881 0.4390 0.4617 0.5419 0.8882 0.9124 0.9629 0.9846 1.5628 1.6103 1.6275 1.6797 2.0213 2.0332 2.1325 2.1630 4.4883 4.5153 4.5245 4.5533 5.1277 5.1351 5.1617 5.1722 6.5351 6.5388 k = 0.1198 0.5167 0.1590 ( 9676 PWs) bands (ev): -13.8795 -13.8794 -13.8792 -13.8791 -12.6391 -12.6389 -12.6379 -12.6379 -11.3152 -11.3151 -11.3122 -11.3122 -7.8276 -7.8271 -7.8224 -7.8218 -3.4530 -3.4447 -3.4422 -3.4406 -2.6288 -2.6200 -2.6055 -2.5913 -1.8813 -1.8635 -1.8598 -1.8435 -0.5776 -0.5737 -0.5557 -0.5413 -0.0863 -0.0223 0.0190 0.0400 0.3748 0.4305 0.4435 0.5282 0.8958 0.9128 0.9700 0.9919 1.5585 1.6074 1.6291 1.6800 2.0036 2.0152 2.1233 2.1553 4.5041 4.5299 4.5429 4.5713 5.1220 5.1290 5.1583 5.1684 6.5547 6.5583 k = 0.1331 0.5167 0.1590 ( 9676 PWs) bands (ev): -13.8761 -13.8760 -13.8758 -13.8757 -12.6377 -12.6375 -12.6365 -12.6364 -11.3146 -11.3145 -11.3114 -11.3113 -7.8325 -7.8320 -7.8269 -7.8263 -3.4582 -3.4495 -3.4464 -3.4452 -2.6300 -2.6207 -2.6042 -2.5891 -1.9085 -1.8900 -1.8855 -1.8693 -0.5745 -0.5697 -0.5490 -0.5331 -0.0854 -0.0130 0.0157 0.0483 0.3615 0.4238 0.4261 0.5155 0.9033 0.9130 0.9761 0.9989 1.5543 1.6052 1.6306 1.6797 1.9855 1.9969 2.1120 2.1455 4.5216 4.5460 4.5626 4.5905 5.1164 5.1228 5.1543 5.1638 6.5769 6.5805 k = 0.1464 0.5167 0.1590 ( 9682 PWs) bands (ev): -13.8724 -13.8723 -13.8721 -13.8720 -12.6362 -12.6360 -12.6349 -12.6349 -11.3139 -11.3138 -11.3105 -11.3104 -7.8377 -7.8372 -7.8317 -7.8312 -3.4638 -3.4547 -3.4510 -3.4501 -2.6313 -2.6214 -2.6032 -2.5872 -1.9361 -1.9169 -1.9117 -1.8955 -0.5721 -0.5665 -0.5421 -0.5253 -0.0870 -0.0046 0.0082 0.0573 0.3484 0.4098 0.4195 0.5042 0.9102 0.9126 0.9810 1.0056 1.5503 1.6037 1.6320 1.6789 1.9672 1.9786 2.0988 2.1337 4.5406 4.5634 4.5833 4.6107 5.1108 5.1166 5.1496 5.1585 6.6017 6.6052 k = 0.1597 0.5167 0.1590 ( 9686 PWs) bands (ev): -13.8685 -13.8684 -13.8682 -13.8681 -12.6346 -12.6344 -12.6333 -12.6333 -11.3130 -11.3130 -11.3095 -11.3094 -7.8432 -7.8427 -7.8370 -7.8365 -3.4698 -3.4603 -3.4560 -3.4555 -2.6327 -2.6222 -2.6023 -2.5855 -1.9636 -1.9436 -1.9380 -1.9218 -0.5703 -0.5640 -0.5351 -0.5179 -0.0915 -0.0026 0.0028 0.0656 0.3359 0.3950 0.4174 0.4948 0.9115 0.9162 0.9851 1.0118 1.5463 1.6029 1.6336 1.6778 1.9486 1.9603 2.0836 2.1200 4.5609 4.5820 4.6049 4.6317 5.1053 5.1105 5.1445 5.1525 6.6288 6.6321 k = 0.1730 0.5167 0.1590 ( 9686 PWs) bands (ev): -13.8644 -13.8643 -13.8641 -13.8640 -12.6330 -12.6328 -12.6316 -12.6315 -11.3122 -11.3121 -11.3085 -11.3085 -7.8489 -7.8484 -7.8425 -7.8420 -3.4760 -3.4662 -3.4614 -3.4611 -2.6344 -2.6231 -2.6018 -2.5842 -1.9907 -1.9699 -1.9640 -1.9479 -0.5691 -0.5621 -0.5280 -0.5110 -0.0989 -0.0158 0.0087 0.0721 0.3248 0.3817 0.4170 0.4872 0.9095 0.9208 0.9883 1.0175 1.5424 1.6026 1.6356 1.6767 1.9301 1.9422 2.0668 2.1043 4.5823 4.6014 4.6272 4.6532 5.1000 5.1046 5.1391 5.1459 6.6578 6.6609 k = 0.1863 0.5167 0.1590 ( 9694 PWs) bands (ev): -13.8601 -13.8600 -13.8598 -13.8597 -12.6312 -12.6311 -12.6298 -12.6298 -11.3112 -11.3111 -11.3075 -11.3074 -7.8548 -7.8544 -7.8483 -7.8478 -3.4825 -3.4723 -3.4672 -3.4669 -2.6362 -2.6241 -2.6017 -2.5833 -2.0170 -1.9954 -1.9895 -1.9733 -0.5685 -0.5607 -0.5210 -0.5047 -0.1090 -0.0308 0.0127 0.0761 0.3158 0.3702 0.4179 0.4816 0.9064 0.9237 0.9907 1.0224 1.5385 1.6028 1.6381 1.6758 1.9115 1.9243 2.0483 2.0870 4.6044 4.6215 4.6500 4.6752 5.0950 5.0988 5.1334 5.1389 6.6886 6.6915 k = 0.1996 0.5167 0.1590 ( 9690 PWs) bands (ev): -13.8556 -13.8555 -13.8553 -13.8552 -12.6295 -12.6293 -12.6280 -12.6280 -11.3102 -11.3101 -11.3064 -11.3064 -7.8609 -7.8604 -7.8544 -7.8539 -3.4892 -3.4787 -3.4734 -3.4728 -2.6382 -2.6253 -2.6020 -2.5830 -2.0423 -2.0200 -2.0142 -1.9978 -0.5683 -0.5596 -0.5139 -0.4990 -0.1215 -0.0468 0.0144 0.0768 0.3096 0.3607 0.4195 0.4777 0.9022 0.9248 0.9924 1.0264 1.5346 1.6031 1.6413 1.6754 1.8930 1.9069 2.0285 2.0680 4.6270 4.6419 4.6731 4.6973 5.0902 5.0934 5.1278 5.1316 6.7208 6.7234 k = 0.2129 0.5167 0.1590 ( 9694 PWs) bands (ev): -13.8511 -13.8510 -13.8508 -13.8507 -12.6276 -12.6275 -12.6262 -12.6262 -11.3091 -11.3090 -11.3054 -11.3053 -7.8671 -7.8666 -7.8606 -7.8601 -3.4960 -3.4853 -3.4798 -3.4789 -2.6405 -2.6267 -2.6028 -2.5832 -2.0662 -2.0435 -2.0378 -2.0213 -0.5683 -0.5587 -0.5068 -0.4940 -0.1360 -0.0633 0.0139 0.0740 0.3065 0.3531 0.4213 0.4754 0.8968 0.9241 0.9931 1.0291 1.5307 1.6035 1.6453 1.6759 1.8747 1.8901 2.0074 2.0477 4.6498 4.6624 4.6964 4.7193 5.0859 5.0883 5.1223 5.1241 6.7539 6.7562 k = 0.2262 0.5167 0.1590 ( 9690 PWs) bands (ev): -13.8465 -13.8464 -13.8462 -13.8461 -12.6258 -12.6256 -12.6244 -12.6244 -11.3080 -11.3079 -11.3043 -11.3042 -7.8734 -7.8729 -7.8669 -7.8664 -3.5030 -3.4919 -3.4863 -3.4852 -2.6431 -2.6282 -2.6041 -2.5842 -2.0886 -2.0656 -2.0602 -2.0434 -0.5684 -0.5579 -0.4999 -0.4899 -0.1519 -0.0796 0.0111 0.0679 0.3062 0.3473 0.4230 0.4742 0.8902 0.9217 0.9927 1.0304 1.5268 1.6037 1.6499 1.6773 1.8565 1.8738 1.9855 2.0261 4.6725 4.6827 4.7195 4.7408 5.0819 5.0836 5.1168 5.1173 6.7877 6.7898 k = 0.2396 0.5167 0.1590 ( 9690 PWs) bands (ev): -13.8418 -13.8417 -13.8415 -13.8414 -12.6240 -12.6238 -12.6226 -12.6226 -11.3068 -11.3067 -11.3032 -11.3031 -7.8796 -7.8791 -7.8733 -7.8729 -3.5100 -3.4987 -3.4930 -3.4916 -2.6458 -2.6298 -2.6059 -2.5859 -2.1093 -2.0862 -2.0813 -2.0640 -0.5685 -0.5570 -0.4930 -0.4867 -0.1688 -0.0951 0.0062 0.0588 0.3085 0.3430 0.4245 0.4741 0.8825 0.9177 0.9907 1.0300 1.5230 1.6035 1.6553 1.6796 1.8385 1.8584 1.9630 2.0036 4.6948 4.7025 4.7422 4.7615 5.0785 5.0791 5.1100 5.1131 6.8217 6.8235 k = 0.2529 0.5167 0.1590 ( 9686 PWs) bands (ev): -13.8372 -13.8371 -13.8369 -13.8368 -12.6222 -12.6220 -12.6208 -12.6208 -11.3055 -11.3054 -11.3020 -11.3020 -7.8858 -7.8853 -7.8797 -7.8793 -3.5170 -3.5055 -3.4998 -3.4981 -2.6488 -2.6317 -2.6083 -2.5884 -2.1281 -2.1053 -2.1008 -2.0831 -0.5684 -0.5559 -0.4862 -0.4846 -0.1860 -0.1093 -0.0005 0.0476 0.3126 0.3400 0.4255 0.4746 0.8737 0.9125 0.9871 1.0278 1.5190 1.6030 1.6612 1.6827 1.8206 1.8437 1.9404 1.9804 4.7163 4.7216 4.7642 4.7810 5.0750 5.0757 5.1040 5.1098 6.8556 6.8571 k = 0.2662 0.5167 0.1590 ( 9684 PWs) bands (ev): -13.8326 -13.8324 -13.8323 -13.8322 -12.6204 -12.6202 -12.6191 -12.6191 -11.3042 -11.3041 -11.3009 -11.3009 -7.8918 -7.8913 -7.8860 -7.8856 -3.5239 -3.5122 -3.5065 -3.5046 -2.6520 -2.6337 -2.6112 -2.5917 -2.1450 -2.1228 -2.1189 -2.1005 -0.5681 -0.5546 -0.4836 -0.4797 -0.2032 -0.1219 -0.0084 0.0348 0.3178 0.3379 0.4261 0.4757 0.8640 0.9064 0.9816 1.0237 1.5149 1.6020 1.6674 1.6863 1.8029 1.8299 1.9180 1.9568 4.7367 4.7397 4.7851 4.7987 5.0713 5.0737 5.0991 5.1077 6.8889 6.8902 k = 0.2795 0.5167 0.1590 ( 9690 PWs) bands (ev): -13.8280 -13.8279 -13.8277 -13.8276 -12.6186 -12.6185 -12.6174 -12.6174 -11.3029 -11.3028 -11.2998 -11.2997 -7.8977 -7.8972 -7.8923 -7.8919 -3.5308 -3.5189 -3.5133 -3.5110 -2.6553 -2.6357 -2.6146 -2.5957 -2.1600 -2.1386 -2.1353 -2.1162 -0.5673 -0.5529 -0.4838 -0.4735 -0.2199 -0.1324 -0.0171 0.0212 0.3237 0.3364 0.4262 0.4771 0.8534 0.8995 0.9741 1.0178 1.5105 1.6004 1.6736 1.6897 1.7857 1.8171 1.8965 1.9333 4.7558 4.7565 4.8045 4.8144 5.0679 5.0729 5.0956 5.1068 6.9214 6.9224 k = 0.2928 0.5167 0.1590 ( 9698 PWs) bands (ev): -13.8236 -13.8235 -13.8233 -13.8232 -12.6170 -12.6168 -12.6158 -12.6158 -11.3015 -11.3014 -11.2987 -11.2986 -7.9034 -7.9029 -7.8983 -7.8980 -3.5374 -3.5254 -3.5199 -3.5173 -2.6586 -2.6379 -2.6184 -2.6005 -2.1730 -2.1529 -2.1502 -2.1303 -0.5660 -0.5509 -0.4853 -0.4676 -0.2356 -0.1406 -0.0262 0.0072 0.3297 0.3353 0.4259 0.4786 0.8421 0.8922 0.9648 1.0100 1.5055 1.5981 1.6794 1.6918 1.7695 1.8052 1.8765 1.9103 4.7719 4.7732 4.8220 4.8275 5.0653 5.0736 5.0937 5.1071 6.9526 6.9534 k = 0.3061 0.5167 0.1590 ( 9696 PWs) bands (ev): -13.8194 -13.8193 -13.8191 -13.8190 -12.6154 -12.6152 -12.6144 -12.6143 -11.3001 -11.3000 -11.2975 -11.2975 -7.9088 -7.9082 -7.9042 -7.9038 -3.5439 -3.5316 -3.5264 -3.5235 -2.6620 -2.6400 -2.6225 -2.6059 -2.1842 -2.1655 -2.1635 -2.1427 -0.5641 -0.5486 -0.4879 -0.4622 -0.2500 -0.1464 -0.0352 -0.0068 0.3343 0.3355 0.4253 0.4802 0.8303 0.8846 0.9536 1.0008 1.4999 1.5951 1.6844 1.6904 1.7559 1.7942 1.8584 1.8884 4.7857 4.7888 4.8370 4.8379 5.0639 5.0759 5.0932 5.1086 6.9823 6.9829 k = 0.3194 0.5167 0.1590 ( 9690 PWs) bands (ev): -13.8154 -13.8153 -13.8151 -13.8150 -12.6139 -12.6137 -12.6130 -12.6130 -11.2986 -11.2986 -11.2964 -11.2963 -7.9139 -7.9133 -7.9097 -7.9094 -3.5500 -3.5376 -3.5327 -3.5295 -2.6654 -2.6420 -2.6267 -2.6118 -2.1935 -2.1766 -2.1752 -2.1536 -0.5616 -0.5461 -0.4917 -0.4574 -0.2627 -0.1498 -0.0437 -0.0204 0.3332 0.3409 0.4244 0.4816 0.8181 0.8769 0.9409 0.9902 1.4934 1.5913 1.6825 1.6878 1.7475 1.7842 1.8426 1.8683 4.7979 4.8025 4.8453 4.8494 5.0641 5.0799 5.0940 5.1110 7.0102 7.0107 k = 0.3327 0.5167 0.1590 ( 9692 PWs) bands (ev): -13.8116 -13.8115 -13.8113 -13.8112 -12.6125 -12.6123 -12.6117 -12.6117 -11.2972 -11.2971 -11.2952 -11.2952 -7.9186 -7.9180 -7.9149 -7.9146 -3.5558 -3.5432 -3.5387 -3.5351 -2.6686 -2.6439 -2.6311 -2.6180 -2.2013 -2.1863 -2.1855 -2.1629 -0.5583 -0.5433 -0.4963 -0.4532 -0.2734 -0.1508 -0.0514 -0.0334 0.3321 0.3457 0.4233 0.4827 0.8056 0.8693 0.9269 0.9787 1.4860 1.5866 1.6675 1.6886 1.7450 1.7754 1.8292 1.8506 4.8084 4.8140 4.8499 4.8587 5.0661 5.0855 5.0959 5.1141 7.0361 7.0365 k = 0.3460 0.5167 0.1590 ( 9690 PWs) bands (ev): -13.8081 -13.8080 -13.8078 -13.8077 -12.6112 -12.6111 -12.6106 -12.6106 -11.2957 -11.2956 -11.2941 -11.2940 -7.9228 -7.9222 -7.9197 -7.9195 -3.5612 -3.5484 -3.5445 -3.5405 -2.6717 -2.6455 -2.6353 -2.6243 -2.2075 -2.1947 -2.1944 -2.1709 -0.5544 -0.5406 -0.5015 -0.4496 -0.2820 -0.1497 -0.0580 -0.0454 0.3308 0.3497 0.4220 0.4834 0.7931 0.8618 0.9119 0.9666 1.4775 1.5811 1.6473 1.6858 1.7463 1.7685 1.8182 1.8359 4.8172 4.8234 4.8522 4.8653 5.0699 5.0922 5.0984 5.1177 7.0599 7.0601 k = 0.3593 0.5167 0.1590 ( 9682 PWs) bands (ev): -13.8049 -13.8048 -13.8046 -13.8045 -12.6101 -12.6100 -12.6096 -12.6096 -11.2941 -11.2941 -11.2929 -11.2929 -7.9267 -7.9259 -7.9240 -7.9238 -3.5661 -3.5532 -3.5498 -3.5454 -2.6746 -2.6469 -2.6392 -2.6306 -2.2124 -2.2021 -2.2017 -2.1776 -0.5498 -0.5380 -0.5070 -0.4465 -0.2882 -0.1469 -0.0633 -0.0562 0.3293 0.3528 0.4206 0.4836 0.7806 0.8547 0.8963 0.9541 1.4682 1.5749 1.6244 1.6785 1.7493 1.7638 1.8091 1.8242 4.8242 4.8305 4.8527 4.8694 5.0753 5.0995 5.1014 5.1216 7.0813 7.0815 k = 0.3726 0.5167 0.1590 ( 9678 PWs) bands (ev): -13.8021 -13.8020 -13.8018 -13.8017 -12.6091 -12.6090 -12.6088 -12.6087 -11.2926 -11.2925 -11.2917 -11.2917 -7.9300 -7.9292 -7.9278 -7.9276 -3.5705 -3.5574 -3.5548 -3.5499 -2.6772 -2.6479 -2.6427 -2.6367 -2.2161 -2.2084 -2.2077 -2.1832 -0.5446 -0.5356 -0.5124 -0.4437 -0.2922 -0.1429 -0.0671 -0.0653 0.3276 0.3551 0.4191 0.4831 0.7683 0.8478 0.8807 0.9416 1.4581 1.5681 1.6001 1.6671 1.7526 1.7613 1.8016 1.8152 4.8293 4.8354 4.8521 4.8717 5.0815 5.1045 5.1066 5.1257 7.1002 7.1004 k = 0.3860 0.5167 0.1590 ( 9682 PWs) bands (ev): -13.7996 -13.7995 -13.7993 -13.7993 -12.6083 -12.6082 -12.6081 -12.6080 -11.2911 -11.2910 -11.2906 -11.2905 -7.9328 -7.9318 -7.9311 -7.9308 -3.5744 -3.5611 -3.5592 -3.5539 -2.6795 -2.6488 -2.6456 -2.6422 -2.2190 -2.2134 -2.2125 -2.1877 -0.5394 -0.5337 -0.5169 -0.4410 -0.2938 -0.1383 -0.0724 -0.0692 0.3258 0.3564 0.4173 0.4819 0.7565 0.8408 0.8659 0.9294 1.4473 1.5606 1.5758 1.6527 1.7557 1.7603 1.7954 1.8085 4.8320 4.8380 4.8516 4.8730 5.0879 5.1076 5.1128 5.1298 7.1164 7.1167 k = 0.3993 0.5167 0.1590 ( 9688 PWs) bands (ev): -13.7976 -13.7975 -13.7973 -13.7972 -12.6077 -12.6076 -12.6075 -12.6075 -11.2896 -11.2894 -11.2894 -11.2892 -7.9351 -7.9340 -7.9337 -7.9333 -3.5777 -3.5642 -3.5631 -3.5573 -2.6814 -2.6504 -2.6477 -2.6459 -2.2214 -2.2169 -2.2164 -2.1913 -0.5354 -0.5321 -0.5190 -0.4381 -0.2934 -0.1341 -0.0766 -0.0697 0.3238 0.3568 0.4153 0.4797 0.7454 0.8326 0.8532 0.9177 1.4362 1.5476 1.5569 1.6368 1.7581 1.7597 1.7901 1.8034 4.8319 4.8384 4.8521 4.8738 5.0936 5.1107 5.1172 5.1341 7.1288 7.1293 k = 0.3993 0.5167 0.1590 ( 9688 PWs) bands (ev): -13.7976 -13.7975 -13.7973 -13.7972 -12.6077 -12.6076 -12.6075 -12.6075 -11.2896 -11.2894 -11.2894 -11.2892 -7.9351 -7.9340 -7.9337 -7.9333 -3.5777 -3.5642 -3.5631 -3.5573 -2.6814 -2.6504 -2.6477 -2.6459 -2.2214 -2.2169 -2.2164 -2.1913 -0.5354 -0.5321 -0.5190 -0.4381 -0.2934 -0.1341 -0.0766 -0.0697 0.3238 0.3568 0.4153 0.4797 0.7454 0.8326 0.8532 0.9177 1.4362 1.5476 1.5569 1.6368 1.7581 1.7597 1.7901 1.8034 4.8319 4.8384 4.8521 4.8738 5.0936 5.1107 5.1172 5.1341 7.1288 7.1293 k = 0.3909 0.5060 0.1590 ( 9680 PWs) bands (ev): -13.8008 -13.8007 -13.8005 -13.8004 -12.6086 -12.6085 -12.6084 -12.6084 -11.2920 -11.2917 -11.2917 -11.2915 -7.9315 -7.9304 -7.9300 -7.9296 -3.5725 -3.5592 -3.5570 -3.5519 -2.6781 -2.6454 -2.6444 -2.6423 -2.2174 -2.2124 -2.2106 -2.1861 -0.5395 -0.5346 -0.5197 -0.4450 -0.2932 -0.1388 -0.0717 -0.0692 0.3273 0.3569 0.4183 0.4838 0.7638 0.8483 0.8712 0.9367 1.4543 1.5744 1.5824 1.6627 1.7549 1.7624 1.7997 1.8120 4.8347 4.8398 4.8509 4.8730 5.0842 5.1045 5.1103 5.1259 7.1119 7.1124 k = 0.3826 0.4952 0.1590 ( 9674 PWs) bands (ev): -13.8042 -13.8042 -13.8039 -13.8039 -12.6096 -12.6095 -12.6093 -12.6093 -11.2943 -11.2940 -11.2940 -11.2938 -7.9275 -7.9264 -7.9259 -7.9255 -3.5667 -3.5536 -3.5505 -3.5460 -2.6739 -2.6404 -2.6395 -2.6378 -2.2133 -2.2080 -2.2046 -2.1809 -0.5434 -0.5376 -0.5213 -0.4548 -0.2883 -0.1404 -0.0665 -0.0654 0.3308 0.3570 0.4201 0.4872 0.7829 0.8642 0.8888 0.9554 1.4706 1.5895 1.6174 1.6831 1.7521 1.7708 1.8124 1.8232 4.8384 4.8419 4.8507 4.8732 5.0731 5.0961 5.1012 5.1155 7.0935 7.0942 k = 0.3743 0.4844 0.1590 ( 9686 PWs) bands (ev): -13.8080 -13.8079 -13.8077 -13.8076 -12.6106 -12.6105 -12.6104 -12.6104 -11.2966 -11.2964 -11.2963 -11.2961 -7.9230 -7.9219 -7.9214 -7.9210 -3.5605 -3.5477 -3.5435 -3.5397 -2.6687 -2.6356 -2.6329 -2.6325 -2.2091 -2.2037 -2.1985 -2.1759 -0.5471 -0.5408 -0.5238 -0.4664 -0.2797 -0.1390 -0.0619 -0.0576 0.3342 0.3569 0.4206 0.4899 0.8025 0.8801 0.9057 0.9737 1.4846 1.6016 1.6514 1.6948 1.7509 1.7880 1.8285 1.8372 4.8427 4.8443 4.8511 4.8739 5.0602 5.0857 5.0900 5.1032 7.0738 7.0746 k = 0.3660 0.4737 0.1590 ( 9690 PWs) bands (ev): -13.8121 -13.8120 -13.8118 -13.8117 -12.6119 -12.6118 -12.6117 -12.6116 -11.2989 -11.2986 -11.2986 -11.2984 -7.9182 -7.9171 -7.9164 -7.9161 -3.5538 -3.5412 -3.5361 -3.5330 -2.6626 -2.6298 -2.6263 -2.6253 -2.2048 -2.1994 -2.1924 -2.1710 -0.5503 -0.5440 -0.5269 -0.4786 -0.2687 -0.1347 -0.0553 -0.0483 0.3374 0.3565 0.4198 0.4918 0.8224 0.8959 0.9218 0.9913 1.4961 1.6106 1.6811 1.6986 1.7542 1.8131 1.8480 1.8543 4.8470 4.8474 4.8521 4.8751 5.0457 5.0733 5.0767 5.0891 7.0527 7.0536 k = 0.3577 0.4629 0.1590 ( 9688 PWs) bands (ev): -13.8164 -13.8163 -13.8161 -13.8160 -12.6132 -12.6131 -12.6130 -12.6130 -11.3011 -11.3008 -11.3008 -11.3006 -7.9128 -7.9118 -7.9111 -7.9108 -3.5465 -3.5343 -3.5282 -3.5259 -2.6555 -2.6231 -2.6191 -2.6168 -2.2005 -2.1953 -2.1861 -2.1662 -0.5529 -0.5469 -0.5303 -0.4906 -0.2559 -0.1277 -0.0473 -0.0378 0.3406 0.3558 0.4179 0.4929 0.8421 0.9113 0.9371 1.0079 1.5051 1.6169 1.6978 1.7003 1.7680 1.8425 1.8703 1.8741 4.8493 4.8520 4.8531 4.8764 5.0300 5.0591 5.0616 5.0734 7.0303 7.0314 k = 0.3494 0.4521 0.1590 ( 9704 PWs) bands (ev): -13.8211 -13.8210 -13.8208 -13.8207 -12.6147 -12.6146 -12.6145 -12.6145 -11.3031 -11.3029 -11.3028 -11.3026 -7.9071 -7.9061 -7.9053 -7.9050 -3.5388 -3.5269 -3.5200 -3.5183 -2.6473 -2.6155 -2.6109 -2.6074 -2.1960 -2.1913 -2.1798 -2.1615 -0.5546 -0.5492 -0.5337 -0.5016 -0.2421 -0.1183 -0.0380 -0.0261 0.3436 0.3547 0.4148 0.4933 0.8616 0.9263 0.9514 1.0233 1.5119 1.6211 1.6948 1.7072 1.7941 1.8738 1.8947 1.8964 4.8509 4.8539 4.8562 4.8773 5.0133 5.0434 5.0448 5.0562 7.0067 7.0079 k = 0.3410 0.4414 0.1590 ( 9696 PWs) bands (ev): -13.8260 -13.8259 -13.8257 -13.8256 -12.6163 -12.6162 -12.6161 -12.6161 -11.3050 -11.3048 -11.3047 -11.3045 -7.9008 -7.8999 -7.8990 -7.8987 -3.5306 -3.5191 -3.5113 -3.5104 -2.6380 -2.6068 -2.6017 -2.5969 -2.1915 -2.1873 -2.1735 -2.1569 -0.5553 -0.5508 -0.5368 -0.5113 -0.2277 -0.1069 -0.0279 -0.0135 0.3466 0.3533 0.4107 0.4930 0.8804 0.9405 0.9644 1.0373 1.5172 1.6239 1.6909 1.7079 1.8262 1.9055 1.9203 1.9204 4.8511 4.8540 4.8594 4.8773 4.9963 5.0265 5.0268 5.0381 6.9818 6.9832 k = 0.3327 0.4306 0.1590 ( 9712 PWs) bands (ev): -13.8313 -13.8312 -13.8310 -13.8309 -12.6181 -12.6180 -12.6179 -12.6179 -11.3068 -11.3065 -11.3065 -11.3063 -7.8941 -7.8932 -7.8922 -7.8919 -3.5219 -3.5109 -3.5023 -3.5020 -2.6276 -2.5970 -2.5914 -2.5854 -2.1869 -2.1833 -2.1670 -2.1522 -0.5550 -0.5514 -0.5393 -0.5195 -0.2131 -0.0939 -0.0173 -0.0002 0.3497 0.3516 0.4057 0.4921 0.8983 0.9537 0.9761 1.0494 1.5216 1.6258 1.6869 1.7066 1.8599 1.9367 1.9456 1.9463 4.8490 4.8529 4.8609 4.8760 4.9797 5.0080 5.0088 5.0197 6.9558 6.9574 k = 0.3244 0.4198 0.1590 ( 9714 PWs) bands (ev): -13.8369 -13.8367 -13.8366 -13.8364 -12.6201 -12.6200 -12.6199 -12.6198 -11.3083 -11.3081 -11.3080 -11.3078 -7.8869 -7.8861 -7.8850 -7.8847 -3.5127 -3.5022 -3.4934 -3.4927 -2.6161 -2.5863 -2.5802 -2.5728 -2.1820 -2.1791 -2.1603 -2.1475 -0.5534 -0.5508 -0.5408 -0.5258 -0.1985 -0.0798 -0.0067 0.0134 0.3497 0.3529 0.3998 0.4907 0.9150 0.9659 0.9864 1.0594 1.5257 1.6275 1.6833 1.7050 1.8934 1.9669 1.9713 1.9721 4.8435 4.8498 4.8600 4.8725 4.9643 4.9889 4.9912 5.0016 6.9288 6.9305 k = 0.3161 0.4091 0.1590 ( 9702 PWs) bands (ev): -13.8427 -13.8426 -13.8424 -13.8423 -12.6222 -12.6221 -12.6220 -12.6220 -11.3097 -11.3094 -11.3093 -11.3091 -7.8792 -7.8784 -7.8773 -7.8769 -3.5031 -3.4932 -3.4843 -3.4829 -2.6036 -2.5745 -2.5680 -2.5593 -2.1769 -2.1748 -2.1535 -2.1427 -0.5505 -0.5490 -0.5413 -0.5303 -0.1844 -0.0648 0.0036 0.0270 0.3480 0.3566 0.3934 0.4889 0.9303 0.9767 0.9949 1.0671 1.5301 1.6295 1.6804 1.7039 1.9257 1.9956 1.9967 1.9971 4.8338 4.8441 4.8554 4.8660 4.9512 4.9703 4.9743 4.9849 6.9007 6.9026 k = 0.3078 0.3983 0.1590 ( 9702 PWs) bands (ev): -13.8488 -13.8487 -13.8485 -13.8484 -12.6245 -12.6244 -12.6243 -12.6242 -11.3107 -11.3105 -11.3104 -11.3102 -7.8710 -7.8703 -7.8691 -7.8687 -3.4931 -3.4838 -3.4749 -3.4728 -2.5900 -2.5616 -2.5548 -2.5447 -2.1714 -2.1702 -2.1464 -2.1376 -0.5463 -0.5459 -0.5406 -0.5327 -0.1709 -0.0496 0.0130 0.0402 0.3464 0.3610 0.3867 0.4870 0.9439 0.9860 1.0017 1.0722 1.5352 1.6320 1.6785 1.7035 1.9563 2.0206 2.0215 2.0223 4.8196 4.8349 4.8464 4.8557 4.9405 4.9529 4.9590 4.9704 6.8717 6.8737 k = 0.2994 0.3875 0.1590 ( 9698 PWs) bands (ev): -13.8552 -13.8551 -13.8549 -13.8548 -12.6269 -12.6268 -12.6267 -12.6267 -11.3116 -11.3114 -11.3112 -11.3110 -7.8623 -7.8616 -7.8604 -7.8599 -3.4828 -3.4741 -3.4652 -3.4624 -2.5753 -2.5478 -2.5406 -2.5291 -2.1656 -2.1651 -2.1389 -2.1321 -0.5414 -0.5407 -0.5385 -0.5332 -0.1583 -0.0344 0.0212 0.0526 0.3455 0.3663 0.3798 0.4850 0.9556 0.9937 1.0066 1.0747 1.5414 1.6354 1.6779 1.7041 1.9848 2.0423 2.0450 2.0468 4.8011 4.8218 4.8325 4.8411 4.9320 4.9373 4.9457 4.9585 6.8418 6.8440 k = 0.2911 0.3768 0.1590 ( 9714 PWs) bands (ev): -13.8619 -13.8618 -13.8616 -13.8615 -12.6295 -12.6294 -12.6294 -12.6293 -11.3121 -11.3119 -11.3118 -11.3116 -7.8531 -7.8525 -7.8512 -7.8507 -3.4720 -3.4640 -3.4553 -3.4516 -2.5597 -2.5330 -2.5256 -2.5126 -2.1594 -2.1591 -2.1310 -2.1262 -0.5356 -0.5350 -0.5339 -0.5317 -0.1470 -0.0198 0.0278 0.0637 0.3456 0.3727 0.3732 0.4833 0.9653 0.9996 1.0096 1.0746 1.5487 1.6397 1.6786 1.7059 2.0109 2.0618 2.0668 2.0688 4.7795 4.8046 4.8141 4.8226 4.9236 4.9247 4.9341 4.9490 6.8112 6.8135 k = 0.2828 0.3660 0.1590 ( 9710 PWs) bands (ev): -13.8688 -13.8687 -13.8685 -13.8684 -12.6323 -12.6322 -12.6321 -12.6321 -11.3124 -11.3122 -11.3121 -11.3119 -7.8434 -7.8428 -7.8416 -7.8409 -3.4610 -3.4537 -3.4451 -3.4407 -2.5430 -2.5173 -2.5098 -2.4952 -2.1530 -2.1520 -2.1225 -2.1197 -0.5301 -0.5284 -0.5283 -0.5259 -0.1370 -0.0062 0.0325 0.0730 0.3471 0.3673 0.3804 0.4819 0.9727 1.0038 1.0107 1.0721 1.5571 1.6449 1.6807 1.7087 2.0343 2.0788 2.0865 2.0881 4.7555 4.7839 4.7922 4.8009 4.9113 4.9177 4.9236 4.9409 6.7798 6.7823 k = 0.2745 0.3552 0.1590 ( 9710 PWs) bands (ev): -13.8759 -13.8758 -13.8756 -13.8755 -12.6352 -12.6352 -12.6351 -12.6350 -11.3124 -11.3122 -11.3121 -11.3119 -7.8332 -7.8327 -7.8314 -7.8307 -3.4496 -3.4431 -3.4346 -3.4295 -2.5255 -2.5007 -2.4933 -2.4770 -2.1458 -2.1442 -2.1133 -2.1125 -0.5239 -0.5231 -0.5199 -0.5167 -0.1286 0.0057 0.0351 0.0801 0.3503 0.3625 0.3896 0.4812 0.9780 1.0062 1.0099 1.0673 1.5665 1.6511 1.6842 1.7124 2.0549 2.0931 2.1039 2.1044 4.7300 4.7607 4.7678 4.7771 4.8998 4.9104 4.9134 4.9333 6.7479 6.7505 k = 0.2662 0.3445 0.1590 ( 9706 PWs) bands (ev): -13.8833 -13.8832 -13.8830 -13.8829 -12.6383 -12.6383 -12.6382 -12.6381 -11.3121 -11.3119 -11.3118 -11.3115 -7.8225 -7.8221 -7.8208 -7.8200 -3.4381 -3.4323 -3.4240 -3.4181 -2.5071 -2.4833 -2.4761 -2.4580 -2.1375 -2.1354 -2.1045 -2.1034 -0.5163 -0.5161 -0.5103 -0.5065 -0.1219 0.0155 0.0355 0.0846 0.3557 0.3592 0.4003 0.4812 0.9810 1.0069 1.0075 1.0605 1.5765 1.6581 1.6888 1.7170 2.0725 2.1044 2.1176 2.1188 4.7037 4.7356 4.7418 4.7517 4.8883 4.9023 4.9028 4.9254 6.7155 6.7183 k = 0.2579 0.3337 0.1590 ( 9714 PWs) bands (ev): -13.8908 -13.8907 -13.8906 -13.8904 -12.6416 -12.6415 -12.6414 -12.6413 -11.3115 -11.3113 -11.3112 -11.3109 -7.8114 -7.8110 -7.8097 -7.8089 -3.4263 -3.4214 -3.4133 -3.4066 -2.4879 -2.4652 -2.4583 -2.4383 -2.1281 -2.1256 -2.0956 -2.0927 -0.5076 -0.5075 -0.4996 -0.4953 -0.1172 0.0228 0.0337 0.0863 0.3580 0.3632 0.4125 0.4821 0.9820 1.0035 1.0059 1.0521 1.5869 1.6656 1.6945 1.7222 2.0871 2.1127 2.1278 2.1310 4.6770 4.7095 4.7148 4.7256 4.8764 4.8913 4.8931 4.9167 6.6826 6.6855 k = 0.2495 0.3229 0.1590 ( 9694 PWs) bands (ev): -13.8986 -13.8984 -13.8983 -13.8981 -12.6449 -12.6449 -12.6448 -12.6447 -11.3106 -11.3104 -11.3103 -11.3101 -7.7999 -7.7995 -7.7982 -7.7973 -3.4143 -3.4103 -3.4024 -3.3950 -2.4679 -2.4463 -2.4400 -2.4180 -2.1175 -2.1148 -2.0857 -2.0810 -0.4976 -0.4975 -0.4879 -0.4834 -0.1143 0.0271 0.0299 0.0852 0.3591 0.3729 0.4259 0.4839 0.9811 0.9981 1.0035 1.0423 1.5971 1.6734 1.7009 1.7277 2.0985 2.1180 2.1348 2.1403 4.6502 4.6828 4.6874 4.6990 4.8638 4.8789 4.8827 4.9070 6.6494 6.6525 k = 0.2412 0.3122 0.1590 ( 9690 PWs) bands (ev): -13.9064 -13.9063 -13.9061 -13.9060 -12.6484 -12.6484 -12.6483 -12.6482 -11.3095 -11.3093 -11.3091 -11.3089 -7.7879 -7.7876 -7.7863 -7.7854 -3.4022 -3.3991 -3.3915 -3.3833 -2.4473 -2.4267 -2.4213 -2.3971 -2.1056 -2.1027 -2.0747 -2.0683 -0.4865 -0.4863 -0.4755 -0.4708 -0.1134 0.0242 0.0282 0.0816 0.3627 0.3846 0.4404 0.4868 0.9784 0.9915 0.9997 1.0315 1.6070 1.6811 1.7077 1.7331 2.1070 2.1202 2.1387 2.1469 4.6236 4.6560 4.6599 4.6724 4.8502 4.8653 4.8710 4.8960 6.6159 6.6192 k = 0.2329 0.3014 0.1590 ( 9674 PWs) bands (ev): -13.9144 -13.9143 -13.9141 -13.9140 -12.6521 -12.6520 -12.6519 -12.6518 -11.3080 -11.3078 -11.3077 -11.3074 -7.7756 -7.7753 -7.7741 -7.7731 -3.3901 -3.3879 -3.3805 -3.3715 -2.4260 -2.4066 -2.4022 -2.3758 -2.0922 -2.0894 -2.0626 -2.0545 -0.4745 -0.4739 -0.4624 -0.4578 -0.1143 0.0169 0.0261 0.0758 0.3688 0.3980 0.4558 0.4906 0.9742 0.9839 0.9947 1.0200 1.6159 1.6884 1.7145 1.7381 2.1125 2.1196 2.1397 2.1508 4.5975 4.6294 4.6327 4.6461 4.8356 4.8505 4.8579 4.8838 6.5823 6.5857 k = 0.2246 0.2907 0.1590 ( 9682 PWs) bands (ev): -13.9225 -13.9224 -13.9222 -13.9221 -12.6558 -12.6558 -12.6557 -12.6555 -11.3063 -11.3061 -11.3060 -11.3057 -7.7630 -7.7627 -7.7615 -7.7604 -3.3779 -3.3766 -3.3696 -3.3598 -2.4042 -2.3860 -2.3828 -2.3541 -2.0775 -2.0748 -2.0492 -2.0397 -0.4618 -0.4606 -0.4488 -0.4445 -0.1169 0.0082 0.0210 0.0680 0.3772 0.4127 0.4717 0.4952 0.9686 0.9756 0.9888 1.0080 1.6237 1.6949 1.7208 1.7423 2.1154 2.1163 2.1379 2.1521 4.5720 4.6032 4.6059 4.6203 4.8199 4.8345 4.8436 4.8702 6.5486 6.5522 k = 0.2163 0.2799 0.1590 ( 9674 PWs) bands (ev): -13.9306 -13.9305 -13.9303 -13.9302 -12.6596 -12.6596 -12.6595 -12.6594 -11.3043 -11.3042 -11.3040 -11.3038 -7.7501 -7.7497 -7.7485 -7.7474 -3.3657 -3.3654 -3.3587 -3.3482 -2.3818 -2.3649 -2.3632 -2.3321 -2.0612 -2.0589 -2.0347 -2.0237 -0.4484 -0.4465 -0.4349 -0.4310 -0.1209 -0.0015 0.0133 0.0588 0.3876 0.4283 0.4880 0.5006 0.9620 0.9667 0.9821 0.9957 1.6298 1.7002 1.7264 1.7453 2.1106 2.1158 2.1336 2.1510 4.5474 4.5778 4.5798 4.5951 4.8033 4.8173 4.8281 4.8555 6.5149 6.5187 k = 0.2079 0.2691 0.1590 ( 9678 PWs) bands (ev): -13.9388 -13.9387 -13.9385 -13.9384 -12.6635 -12.6635 -12.6634 -12.6633 -11.3022 -11.3020 -11.3018 -11.3016 -7.7369 -7.7365 -7.7354 -7.7342 -3.3543 -3.3535 -3.3478 -3.3366 -2.3590 -2.3434 -2.3433 -2.3099 -2.0436 -2.0416 -2.0189 -2.0067 -0.4344 -0.4320 -0.4209 -0.4175 -0.1262 -0.0121 0.0033 0.0483 0.3994 0.4445 0.5042 0.5064 0.9545 0.9575 0.9749 0.9834 1.6340 1.7039 1.7308 1.7468 2.1028 2.1142 2.1271 2.1478 4.5238 4.5531 4.5545 4.5709 4.7859 4.7992 4.8115 4.8395 6.4813 6.4852 k = 0.1996 0.2584 0.1590 ( 9682 PWs) bands (ev): -13.9470 -13.9469 -13.9467 -13.9466 -12.6675 -12.6675 -12.6674 -12.6672 -11.2998 -11.2996 -11.2994 -11.2992 -7.7235 -7.7231 -7.7220 -7.7208 -3.3433 -3.3414 -3.3371 -3.3251 -2.3358 -2.3233 -2.3215 -2.2874 -2.0246 -2.0232 -2.0020 -1.9887 -0.4200 -0.4172 -0.4070 -0.4042 -0.1324 -0.0232 -0.0086 0.0370 0.4124 0.4610 0.5125 0.5202 0.9463 0.9482 0.9673 0.9712 1.6361 1.7057 1.7336 1.7463 2.0933 2.1107 2.1188 2.1427 4.5012 4.5295 4.5301 4.5476 4.7677 4.7801 4.7940 4.8226 6.4479 6.4520 k = 0.1913 0.2476 0.1590 ( 9668 PWs) bands (ev): -13.9552 -13.9551 -13.9549 -13.9548 -12.6715 -12.6715 -12.6714 -12.6713 -11.2972 -11.2970 -11.2969 -11.2966 -7.7100 -7.7095 -7.7085 -7.7072 -3.3324 -3.3294 -3.3265 -3.3138 -2.3123 -2.3030 -2.2993 -2.2648 -2.0043 -2.0035 -1.9840 -1.9697 -0.4053 -0.4025 -0.3933 -0.3912 -0.1392 -0.0348 -0.0220 0.0251 0.4260 0.4775 0.5187 0.5356 0.9378 0.9391 0.9593 0.9596 1.6357 1.7052 1.7343 1.7435 2.0826 2.1058 2.1090 2.1360 4.4798 4.5069 4.5070 4.5255 4.7489 4.7602 4.7758 4.8048 6.4148 6.4191 k = 0.1830 0.2368 0.1590 ( 9660 PWs) bands (ev): -13.9633 -13.9632 -13.9630 -13.9629 -12.6756 -12.6756 -12.6754 -12.6753 -11.2944 -11.2942 -11.2941 -11.2939 -7.6963 -7.6957 -7.6949 -7.6935 -3.3216 -3.3176 -3.3160 -3.3026 -2.2884 -2.2827 -2.2769 -2.2421 -1.9829 -1.9827 -1.9650 -1.9498 -0.3904 -0.3880 -0.3799 -0.3787 -0.1462 -0.0464 -0.0365 0.0128 0.4399 0.4938 0.5246 0.5503 0.9291 0.9303 0.9479 0.9520 1.6328 1.7020 1.7327 1.7382 2.0711 2.0984 2.1000 2.1281 4.4597 4.4848 4.4856 4.5047 4.7296 4.7396 4.7570 4.7863 6.3821 6.3866 k = 0.1747 0.2261 0.1590 ( 9660 PWs) bands (ev): -13.9713 -13.9712 -13.9710 -13.9709 -12.6796 -12.6796 -12.6795 -12.6793 -11.2915 -11.2913 -11.2912 -11.2910 -7.6826 -7.6819 -7.6812 -7.6798 -3.3111 -3.3060 -3.3058 -3.2917 -2.2643 -2.2621 -2.2543 -2.2193 -1.9610 -1.9605 -1.9450 -1.9291 -0.3754 -0.3743 -0.3672 -0.3668 -0.1531 -0.0581 -0.0520 0.0002 0.4537 0.5097 0.5301 0.5640 0.9204 0.9221 0.9371 0.9447 1.6272 1.6959 1.7285 1.7302 2.0593 2.0871 2.0934 2.1192 4.4407 4.4639 4.4654 4.4851 4.7101 4.7185 4.7377 4.7673 6.3498 6.3545 k = 0.1664 0.2153 0.1590 ( 9656 PWs) bands (ev): -13.9792 -13.9791 -13.9789 -13.9788 -12.6837 -12.6837 -12.6835 -12.6834 -11.2885 -11.2883 -11.2882 -11.2880 -7.6689 -7.6682 -7.6675 -7.6660 -3.3007 -3.2957 -3.2947 -3.2810 -2.2415 -2.2401 -2.2316 -2.1965 -1.9384 -1.9373 -1.9243 -1.9077 -0.3617 -0.3603 -0.3555 -0.3551 -0.1593 -0.0697 -0.0682 -0.0125 0.4672 0.5249 0.5349 0.5763 0.9120 0.9147 0.9269 0.9379 1.6190 1.6868 1.7194 1.7214 2.0476 2.0758 2.0864 2.1098 4.4231 4.4443 4.4465 4.4670 4.6905 4.6971 4.7183 4.7479 6.3181 6.3230 k = 0.1580 0.2045 0.1590 ( 9660 PWs) bands (ev): -13.9870 -13.9869 -13.9867 -13.9866 -12.6877 -12.6877 -12.6875 -12.6874 -11.2855 -11.2852 -11.2852 -11.2849 -7.6553 -7.6545 -7.6539 -7.6524 -3.2907 -3.2860 -3.2835 -3.2706 -2.2208 -2.2157 -2.2089 -2.1737 -1.9152 -1.9134 -1.9029 -1.8857 -0.3506 -0.3453 -0.3451 -0.3439 -0.1643 -0.0849 -0.0809 -0.0252 0.4800 0.5389 0.5393 0.5873 0.9039 0.9084 0.9177 0.9318 1.6081 1.6745 1.7058 1.7114 2.0363 2.0647 2.0794 2.1000 4.4067 4.4260 4.4289 4.4502 4.6709 4.6755 4.6989 4.7284 6.2870 6.2922 k = 0.1497 0.1938 0.1590 ( 9664 PWs) bands (ev): -13.9946 -13.9945 -13.9943 -13.9942 -12.6916 -12.6916 -12.6915 -12.6913 -11.2823 -11.2821 -11.2820 -11.2818 -7.6418 -7.6409 -7.6405 -7.6389 -3.2809 -3.2765 -3.2727 -3.2604 -2.2000 -2.1914 -2.1863 -2.1511 -1.8915 -1.8890 -1.8809 -1.8633 -0.3416 -0.3356 -0.3336 -0.3303 -0.1677 -0.1021 -0.0918 -0.0376 0.4920 0.5418 0.5527 0.5965 0.8965 0.9033 0.9093 0.9264 1.5947 1.6593 1.6895 1.6984 2.0257 2.0540 2.0724 2.0901 4.3916 4.4090 4.4125 4.4349 4.6516 4.6540 4.6797 4.7089 6.2567 6.2621 k = 0.1414 0.1830 0.1590 ( 9668 PWs) bands (ev): -14.0020 -14.0019 -14.0017 -14.0015 -12.6955 -12.6955 -12.6953 -12.6952 -11.2792 -11.2789 -11.2789 -11.2786 -7.6286 -7.6276 -7.6272 -7.6256 -3.2714 -3.2673 -3.2622 -3.2506 -2.1793 -2.1671 -2.1638 -2.1286 -1.8674 -1.8643 -1.8586 -1.8407 -0.3350 -0.3271 -0.3245 -0.3154 -0.1690 -0.1197 -0.1023 -0.0498 0.5030 0.5437 0.5650 0.6040 0.8899 0.8995 0.9019 0.9220 1.5791 1.6414 1.6708 1.6828 2.0160 2.0440 2.0655 2.0803 4.3777 4.3932 4.3974 4.4209 4.6325 4.6326 4.6609 4.6895 6.2273 6.2328 k = 0.1331 0.1722 0.1590 ( 9670 PWs) bands (ev): -14.0091 -14.0090 -14.0088 -14.0087 -12.6993 -12.6993 -12.6991 -12.6990 -11.2760 -11.2758 -11.2757 -11.2755 -7.6155 -7.6145 -7.6143 -7.6126 -3.2622 -3.2584 -3.2520 -3.2412 -2.1586 -2.1430 -2.1417 -2.1064 -1.8431 -1.8394 -1.8360 -1.8179 -0.3312 -0.3197 -0.3166 -0.3007 -0.1680 -0.1375 -0.1121 -0.0616 0.5129 0.5445 0.5761 0.6096 0.8842 0.8956 0.8972 0.9185 1.5616 1.6211 1.6501 1.6647 2.0071 2.0347 2.0588 2.0707 4.3649 4.3787 4.3834 4.4083 4.6114 4.6142 4.6427 4.6705 6.1989 6.2045 k = 0.1248 0.1615 0.1590 ( 9658 PWs) bands (ev): -14.0159 -14.0158 -14.0156 -14.0155 -12.7030 -12.7030 -12.7028 -12.7027 -11.2728 -11.2726 -11.2726 -11.2723 -7.6029 -7.6017 -7.6016 -7.6000 -3.2534 -3.2499 -3.2423 -3.2321 -2.1382 -2.1199 -2.1192 -2.0846 -1.8189 -1.8146 -1.8133 -1.7951 -0.3302 -0.3138 -0.3101 -0.2861 -0.1645 -0.1555 -0.1211 -0.0726 0.5214 0.5444 0.5857 0.6135 0.8796 0.8905 0.8962 0.9159 1.5425 1.5989 1.6276 1.6446 1.9991 2.0260 2.0524 2.0614 4.3532 4.3653 4.3706 4.3970 4.5908 4.5965 4.6252 4.6521 6.1715 6.1769 k = 0.1165 0.1507 0.1590 ( 9650 PWs) bands (ev): -14.0225 -14.0224 -14.0222 -14.0221 -12.7065 -12.7065 -12.7063 -12.7062 -11.2698 -11.2695 -11.2695 -11.2693 -7.5906 -7.5894 -7.5894 -7.5877 -3.2450 -3.2417 -3.2329 -3.2235 -2.1181 -2.0988 -2.0959 -2.0634 -1.7948 -1.7907 -1.7899 -1.7725 -0.3318 -0.3094 -0.3052 -0.2718 -0.1736 -0.1589 -0.1292 -0.0826 0.5287 0.5433 0.5938 0.6156 0.8762 0.8865 0.8964 0.9143 1.5223 1.5753 1.6038 1.6228 1.9918 2.0181 2.0462 2.0526 4.3425 4.3531 4.3589 4.3869 4.5709 4.5796 4.6085 4.6343 6.1453 6.1502 k = 0.1081 0.1399 0.1590 ( 9648 PWs) bands (ev): -14.0287 -14.0286 -14.0284 -14.0283 -12.7099 -12.7099 -12.7097 -12.7096 -11.2668 -11.2665 -11.2665 -11.2663 -7.5788 -7.5777 -7.5776 -7.5760 -3.2370 -3.2340 -3.2240 -3.2153 -2.0984 -2.0784 -2.0732 -2.0429 -1.7710 -1.7683 -1.7656 -1.7501 -0.3355 -0.3069 -0.3021 -0.2581 -0.1914 -0.1516 -0.1361 -0.0912 0.5346 0.5415 0.6002 0.6161 0.8739 0.8836 0.8977 0.9134 1.5014 1.5509 1.5790 1.5999 1.9853 2.0107 2.0402 2.0443 4.3328 4.3419 4.3483 4.3778 4.5517 4.5635 4.5928 4.6173 6.1204 6.1249 k = 0.0998 0.1292 0.1590 ( 9660 PWs) bands (ev): -14.0346 -14.0345 -14.0343 -14.0342 -12.7132 -12.7131 -12.7129 -12.7128 -11.2639 -11.2636 -11.2636 -11.2634 -7.5676 -7.5665 -7.5663 -7.5647 -3.2295 -3.2267 -3.2156 -3.2075 -2.0793 -2.0589 -2.0513 -2.0232 -1.7477 -1.7462 -1.7419 -1.7282 -0.3408 -0.3065 -0.3011 -0.2458 -0.2079 -0.1431 -0.1415 -0.0981 0.5391 0.5393 0.6049 0.6153 0.8728 0.8819 0.8998 0.9132 1.4803 1.5263 1.5538 1.5762 1.9795 2.0038 2.0345 2.0365 4.3238 4.3317 4.3388 4.3698 4.5336 4.5483 4.5783 4.6012 6.0970 6.1010 k = 0.0915 0.1184 0.1590 ( 9656 PWs) bands (ev): -14.0401 -14.0400 -14.0398 -14.0397 -12.7162 -12.7162 -12.7159 -12.7159 -11.2611 -11.2609 -11.2609 -11.2606 -7.5570 -7.5560 -7.5556 -7.5542 -3.2224 -3.2198 -3.2077 -3.2003 -2.0609 -2.0405 -2.0304 -2.0046 -1.7250 -1.7247 -1.7189 -1.7069 -0.3473 -0.3084 -0.3021 -0.2414 -0.2168 -0.1452 -0.1339 -0.1030 0.5367 0.5426 0.6078 0.6133 0.8728 0.8812 0.9024 0.9135 1.4593 1.5019 1.5286 1.5523 1.9743 1.9974 2.0290 2.0293 4.3157 4.3225 4.3303 4.3627 4.5165 4.5340 4.5648 4.5862 6.0750 6.0786 k = 0.0832 0.1076 0.1590 ( 9650 PWs) bands (ev): -14.0452 -14.0451 -14.0449 -14.0448 -12.7190 -12.7190 -12.7188 -12.7187 -11.2585 -11.2583 -11.2583 -11.2580 -7.5470 -7.5461 -7.5456 -7.5443 -3.2158 -3.2135 -3.2003 -3.1936 -2.0433 -2.0233 -2.0106 -1.9871 -1.7038 -1.7032 -1.6967 -1.6863 -0.3545 -0.3127 -0.3054 -0.2529 -0.2097 -0.1471 -0.1244 -0.1055 0.5342 0.5450 0.6089 0.6103 0.8739 0.8815 0.9054 0.9142 1.4390 1.4784 1.5036 1.5285 1.9697 1.9914 2.0227 2.0238 4.3084 4.3143 4.3229 4.3563 4.5008 4.5207 4.5526 4.5721 6.0547 6.0579 k = 0.0749 0.0969 0.1590 ( 9652 PWs) bands (ev): -14.0499 -14.0498 -14.0496 -14.0495 -12.7216 -12.7216 -12.7214 -12.7213 -11.2561 -11.2559 -11.2558 -11.2556 -7.5378 -7.5370 -7.5363 -7.5351 -3.2097 -3.2076 -3.1934 -3.1875 -2.0268 -2.0075 -1.9920 -1.9709 -1.6838 -1.6824 -1.6757 -1.6667 -0.3622 -0.3193 -0.3106 -0.2691 -0.1980 -0.1471 -0.1149 -0.1059 0.5320 0.5465 0.6065 0.6082 0.8759 0.8826 0.9083 0.9150 1.4198 1.4561 1.4793 1.5052 1.9657 1.9858 2.0167 2.0189 4.3019 4.3069 4.3166 4.3505 4.4864 4.5083 4.5417 4.5593 6.0361 6.0389 k = 0.0665 0.0861 0.1590 ( 9648 PWs) bands (ev): -14.0541 -14.0541 -14.0538 -14.0537 -12.7240 -12.7240 -12.7237 -12.7237 -11.2538 -11.2537 -11.2536 -11.2534 -7.5294 -7.5286 -7.5278 -7.5268 -3.2042 -3.2023 -3.1872 -3.1819 -2.0115 -1.9932 -1.9749 -1.9562 -1.6649 -1.6628 -1.6559 -1.6483 -0.3698 -0.3277 -0.3175 -0.2856 -0.1858 -0.1457 -0.1057 -0.1042 0.5302 0.5475 0.6020 0.6059 0.8786 0.8845 0.9109 0.9158 1.4020 1.4356 1.4562 1.4829 1.9622 1.9806 2.0113 2.0142 4.2960 4.3003 4.3114 4.3451 4.4737 4.4968 4.5319 4.5475 6.0192 6.0217 k = 0.0582 0.0754 0.1590 ( 9648 PWs) bands (ev): -14.0579 -14.0578 -14.0576 -14.0575 -12.7261 -12.7261 -12.7259 -12.7258 -11.2518 -11.2517 -11.2516 -11.2514 -7.5218 -7.5211 -7.5202 -7.5193 -3.1992 -3.1976 -3.1816 -3.1770 -1.9974 -1.9806 -1.9594 -1.9431 -1.6473 -1.6448 -1.6376 -1.6312 -0.3773 -0.3375 -0.3254 -0.3014 -0.1741 -0.1431 -0.1008 -0.0971 0.5292 0.5481 0.5971 0.6019 0.8819 0.8870 0.9131 0.9164 1.3860 1.4173 1.4344 1.4617 1.9593 1.9758 2.0067 2.0100 4.2909 4.2945 4.3073 4.3401 4.4626 4.4862 4.5234 4.5370 6.0043 6.0065 k = 0.0499 0.0646 0.1590 ( 9652 PWs) bands (ev): -14.0612 -14.0612 -14.0609 -14.0608 -12.7280 -12.7280 -12.7277 -12.7277 -11.2500 -11.2499 -11.2498 -11.2497 -7.5151 -7.5145 -7.5135 -7.5127 -3.1949 -3.1935 -3.1767 -3.1727 -1.9848 -1.9696 -1.9456 -1.9316 -1.6312 -1.6285 -1.6211 -1.6158 -0.3841 -0.3480 -0.3338 -0.3161 -0.1632 -0.1397 -0.0963 -0.0893 0.5290 0.5486 0.5917 0.5966 0.8856 0.8900 0.9148 0.9168 1.3721 1.4014 1.4143 1.4421 1.9569 1.9715 2.0027 2.0061 4.2865 4.2895 4.3043 4.3352 4.4535 4.4765 4.5162 4.5278 5.9912 5.9932 k = 0.0416 0.0538 0.1590 ( 9668 PWs) bands (ev): -14.0640 -14.0640 -14.0637 -14.0637 -12.7296 -12.7296 -12.7293 -12.7293 -11.2485 -11.2484 -11.2483 -11.2482 -7.5094 -7.5089 -7.5077 -7.5070 -3.1911 -3.1900 -3.1724 -3.1691 -1.9736 -1.9605 -1.9336 -1.9220 -1.6169 -1.6142 -1.6065 -1.6022 -0.3901 -0.3586 -0.3420 -0.3293 -0.1534 -0.1360 -0.0911 -0.0825 0.5299 0.5492 0.5862 0.5902 0.8897 0.8933 0.9157 0.9169 1.3605 1.3884 1.3963 1.4242 1.9552 1.9675 1.9994 2.0027 4.2828 4.2853 4.3024 4.3304 4.4463 4.4677 4.5102 4.5197 5.9801 5.9819 k = 0.0333 0.0431 0.1590 ( 9656 PWs) bands (ev): -14.0664 -14.0663 -14.0660 -14.0660 -12.7309 -12.7309 -12.7306 -12.7306 -11.2472 -11.2472 -11.2470 -11.2469 -7.5046 -7.5043 -7.5029 -7.5024 -3.1880 -3.1871 -3.1688 -3.1662 -1.9641 -1.9533 -1.9235 -1.9143 -1.6046 -1.6021 -1.5941 -1.5907 -0.3948 -0.3688 -0.3496 -0.3407 -0.1449 -0.1324 -0.0858 -0.0771 0.5320 0.5502 0.5805 0.5829 0.8938 0.8968 0.9158 0.9165 1.3515 1.3783 1.3805 1.4084 1.9539 1.9640 1.9969 1.9998 4.2799 4.2819 4.3017 4.3257 4.4411 4.4598 4.5054 4.5130 5.9711 5.9727 k = 0.0250 0.0323 0.1590 ( 9664 PWs) bands (ev): -14.0682 -14.0682 -14.0679 -14.0678 -12.7320 -12.7320 -12.7317 -12.7316 -11.2462 -11.2462 -11.2460 -11.2459 -7.5009 -7.5006 -7.4992 -7.4987 -3.1856 -3.1849 -3.1659 -3.1640 -1.9563 -1.9480 -1.9153 -1.9084 -1.5946 -1.5926 -1.5841 -1.5816 -0.3980 -0.3781 -0.3560 -0.3501 -0.1378 -0.1293 -0.0806 -0.0731 0.5353 0.5517 0.5750 0.5751 0.8979 0.9003 0.9152 0.9155 1.3452 1.3671 1.3714 1.3948 1.9533 1.9609 1.9950 1.9973 4.2776 4.2791 4.3021 4.3210 4.4379 4.4529 4.5019 4.5075 5.9640 5.9655 k = 0.0166 0.0215 0.1590 ( 9678 PWs) bands (ev): -14.0695 -14.0695 -14.0692 -14.0691 -12.7327 -12.7327 -12.7324 -12.7324 -11.2455 -11.2455 -11.2453 -11.2452 -7.4982 -7.4980 -7.4964 -7.4962 -3.1838 -3.1833 -3.1638 -3.1625 -1.9502 -1.9446 -1.9091 -1.9045 -1.5872 -1.5857 -1.5766 -1.5750 -0.3995 -0.3861 -0.3607 -0.3571 -0.1324 -0.1272 -0.0762 -0.0706 0.5398 0.5539 0.5671 0.5697 0.9019 0.9037 0.9137 0.9141 1.3416 1.3563 1.3676 1.3837 1.9532 1.9583 1.9938 1.9954 4.2761 4.2771 4.3034 4.3165 4.4366 4.4471 4.4996 4.5033 5.9591 5.9601 k = 0.0083 0.0108 0.1590 ( 9694 PWs) bands (ev): -14.0703 -14.0703 -14.0699 -14.0699 -12.7332 -12.7332 -12.7328 -12.7328 -11.2451 -11.2450 -11.2448 -11.2448 -7.4965 -7.4965 -7.4948 -7.4946 -3.1826 -3.1824 -3.1623 -3.1617 -1.9460 -1.9432 -1.9049 -1.9027 -1.5825 -1.5817 -1.5720 -1.5712 -0.3991 -0.3923 -0.3633 -0.3617 -0.1287 -0.1262 -0.0727 -0.0698 0.5454 0.5568 0.5593 0.5648 0.9056 0.9068 0.9116 0.9121 1.3410 1.3484 1.3671 1.3753 1.9537 1.9563 1.9932 1.9941 4.2753 4.2758 4.3057 4.3124 4.4370 4.4424 4.4986 4.5005 5.9562 5.9567 k = 0.0000 0.0000 0.1590 ( 9682 PWs) bands (ev): -14.0705 -14.0705 -14.0702 -14.0702 -12.7333 -12.7333 -12.7330 -12.7330 -11.2449 -11.2449 -11.2447 -11.2447 -7.4960 -7.4960 -7.4941 -7.4941 -3.1822 -3.1822 -3.1616 -3.1616 -1.9436 -1.9436 -1.9028 -1.9028 -1.5806 -1.5806 -1.5701 -1.5701 -0.3967 -0.3967 -0.3637 -0.3637 -0.1266 -0.1266 -0.0705 -0.0705 0.5520 0.5520 0.5605 0.5605 0.9088 0.9088 0.9097 0.9097 1.3432 1.3432 1.3697 1.3697 1.9547 1.9547 1.9933 1.9933 4.2752 4.2752 4.3087 4.3087 4.4390 4.4390 4.4989 4.4989 5.9554 5.9554 k = 0.0000 0.0000 0.1590 ( 9682 PWs) bands (ev): -14.0705 -14.0705 -14.0702 -14.0702 -12.7333 -12.7333 -12.7330 -12.7330 -11.2449 -11.2449 -11.2447 -11.2447 -7.4960 -7.4960 -7.4941 -7.4941 -3.1822 -3.1822 -3.1616 -3.1616 -1.9436 -1.9436 -1.9028 -1.9028 -1.5806 -1.5806 -1.5701 -1.5701 -0.3967 -0.3967 -0.3637 -0.3637 -0.1266 -0.1266 -0.0705 -0.0705 0.5520 0.5520 0.5605 0.5605 0.9088 0.9088 0.9097 0.9097 1.3432 1.3432 1.3697 1.3697 1.9547 1.9547 1.9933 1.9933 4.2752 4.2752 4.3087 4.3087 4.4390 4.4390 4.4989 4.4989 5.9554 5.9554 k = 0.0000 0.0000 0.1457 ( 9682 PWs) bands (ev): -14.0757 -14.0756 -14.0651 -14.0649 -12.7506 -12.7504 -12.7157 -12.7155 -11.2614 -11.2613 -11.2286 -11.2284 -7.5010 -7.4992 -7.4909 -7.4892 -3.1874 -3.1769 -3.1672 -3.1563 -1.9486 -1.9376 -1.9088 -1.8961 -1.5924 -1.5807 -1.5694 -1.5602 -0.4069 -0.3856 -0.3720 -0.3547 -0.1461 -0.1081 -0.0892 -0.0535 0.5432 0.5488 0.5607 0.5721 0.9015 0.9024 0.9163 0.9171 1.3274 1.3507 1.3615 1.3909 1.9452 1.9622 1.9815 2.0027 4.2731 4.2777 4.3077 4.3094 4.4222 4.4561 4.4811 4.5159 5.9512 5.9528 k = 0.0000 0.0000 0.1325 ( 9656 PWs) bands (ev): -14.0808 -14.0807 -14.0597 -14.0595 -12.7675 -12.7672 -12.6982 -12.6980 -11.2780 -11.2779 -11.2128 -11.2126 -7.5059 -7.5042 -7.4860 -7.4843 -3.1923 -3.1728 -3.1715 -3.1514 -1.9525 -1.9305 -1.9143 -1.8889 -1.6048 -1.5918 -1.5590 -1.5509 -0.4158 -0.3795 -0.3737 -0.3454 -0.1659 -0.1091 -0.0908 -0.0385 0.5346 0.5373 0.5694 0.5834 0.8943 0.8955 0.9238 0.9245 1.3145 1.3344 1.3818 1.4138 1.9337 1.9675 1.9677 2.0096 4.2715 4.2807 4.3065 4.3099 4.4062 4.4630 4.4732 4.5318 5.9475 5.9491 k = 0.0000 0.0000 0.1192 ( 9670 PWs) bands (ev): -14.0857 -14.0855 -14.0544 -14.0543 -12.7836 -12.7833 -12.6811 -12.6808 -11.2943 -11.2942 -11.1978 -11.1977 -7.5107 -7.5090 -7.4812 -7.4796 -3.1970 -3.1785 -3.1663 -3.1468 -1.9553 -1.9224 -1.9192 -1.8813 -1.6175 -1.6034 -1.5493 -1.5424 -0.4235 -0.3859 -0.3613 -0.3361 -0.1854 -0.1297 -0.0752 -0.0258 0.5261 0.5263 0.5778 0.5941 0.8876 0.8892 0.9309 0.9316 1.3048 1.3212 1.4035 1.4377 1.9205 1.9517 1.9711 2.0138 4.2703 4.2840 4.3050 4.3103 4.3911 4.4447 4.4900 4.5464 5.9444 5.9460 k = 0.0000 0.0000 0.1060 ( 9670 PWs) bands (ev): -14.0902 -14.0901 -14.0494 -14.0492 -12.7987 -12.7985 -12.6646 -12.6644 -11.3101 -11.3099 -11.1838 -11.1837 -7.5152 -7.5136 -7.4767 -7.4751 -3.2014 -3.1842 -3.1611 -3.1428 -1.9571 -1.9236 -1.9134 -1.8732 -1.6305 -1.6153 -1.5405 -1.5347 -0.4297 -0.3913 -0.3487 -0.3274 -0.2038 -0.1507 -0.0615 -0.0156 0.5161 0.5179 0.5860 0.6039 0.8813 0.8834 0.9375 0.9381 1.2984 1.3115 1.4261 1.4619 1.9059 1.9344 1.9728 2.0156 4.2696 4.2875 4.3031 4.3105 4.3773 4.4266 4.5064 4.5594 5.9420 5.9436 k = 0.0000 0.0000 0.0927 ( 9671 PWs) bands (ev): -14.0944 -14.0943 -14.0446 -14.0445 -12.8126 -12.8124 -12.6491 -12.6489 -11.3249 -11.3248 -11.1710 -11.1708 -7.5193 -7.5179 -7.4725 -7.4711 -3.2052 -3.1896 -3.1562 -3.1393 -1.9580 -1.9275 -1.9036 -1.8649 -1.6434 -1.6273 -1.5327 -1.5279 -0.4343 -0.3957 -0.3364 -0.3203 -0.2198 -0.1712 -0.0498 -0.0079 0.5068 0.5102 0.5938 0.6125 0.8757 0.8782 0.9434 0.9438 1.2954 1.3053 1.4491 1.4856 1.8905 1.9162 1.9731 2.0149 4.2694 4.2913 4.3007 4.3107 4.3650 4.4091 4.5220 4.5707 5.9402 5.9417 k = 0.0000 0.0000 0.0795 ( 9665 PWs) bands (ev): -14.0981 -14.0980 -14.0402 -14.0401 -12.8252 -12.8249 -12.6349 -12.6347 -11.3386 -11.3385 -11.1595 -11.1594 -7.5231 -7.5218 -7.4687 -7.4674 -3.2086 -3.1947 -3.1516 -3.1365 -1.9581 -1.9310 -1.8932 -1.8567 -1.6559 -1.6394 -1.5258 -1.5219 -0.4374 -0.3993 -0.3247 -0.3157 -0.2321 -0.1908 -0.0400 -0.0027 0.4986 0.5030 0.6012 0.6198 0.8707 0.8737 0.9485 0.9486 1.2953 1.3024 1.4718 1.5081 1.8747 1.8976 1.9724 2.0121 4.2696 4.2952 4.2978 4.3110 4.3545 4.3925 4.5366 4.5802 5.9389 5.9403 k = 0.0000 0.0000 0.0662 ( 9661 PWs) bands (ev): -14.1013 -14.1012 -14.0363 -14.0362 -12.8361 -12.8359 -12.6223 -12.6221 -11.3508 -11.3507 -11.1495 -11.1494 -7.5264 -7.5253 -7.4653 -7.4643 -3.2113 -3.1995 -3.1473 -3.1342 -1.9575 -1.9343 -1.8824 -1.8488 -1.6678 -1.6513 -1.5199 -1.5168 -0.4387 -0.4023 -0.3146 -0.3146 -0.2396 -0.2086 -0.0320 0.0002 0.4917 0.4965 0.6080 0.6256 0.8665 0.8696 0.9525 0.9526 1.2977 1.3023 1.4937 1.5283 1.8594 1.8793 1.9711 2.0075 4.2702 4.2944 4.2992 4.3115 4.3458 4.3771 4.5500 4.5876 5.9381 5.9393 k = 0.0000 0.0000 0.0530 ( 9667 PWs) bands (ev): -14.1040 -14.1039 -14.0330 -14.0329 -12.8452 -12.8451 -12.6114 -12.6113 -11.3612 -11.3611 -11.1412 -11.1411 -7.5291 -7.5283 -7.4625 -7.4616 -3.2134 -3.2037 -3.1435 -3.1327 -1.9563 -1.9373 -1.8715 -1.8419 -1.6784 -1.6628 -1.5151 -1.5127 -0.4384 -0.4052 -0.3164 -0.3071 -0.2424 -0.2233 -0.0255 0.0011 0.4862 0.4908 0.6143 0.6299 0.8630 0.8662 0.9555 0.9558 1.3016 1.3043 1.5141 1.5454 1.8454 1.8622 1.9698 2.0015 4.2711 4.2908 4.3032 4.3123 4.3386 4.3631 4.5620 4.5930 5.9376 5.9387 k = 0.0000 0.0000 0.0397 ( 9651 PWs) bands (ev): -14.1061 -14.1061 -14.0304 -14.0303 -12.8525 -12.8524 -12.6027 -12.6026 -11.3696 -11.3695 -11.1346 -11.1345 -7.5313 -7.5306 -7.4602 -7.4595 -3.2148 -3.2074 -3.1401 -3.1318 -1.9547 -1.9401 -1.8609 -1.8366 -1.6871 -1.6733 -1.5112 -1.5095 -0.4365 -0.4086 -0.3188 -0.3035 -0.2423 -0.2337 -0.0201 0.0004 0.4821 0.4860 0.6199 0.6325 0.8605 0.8632 0.9578 0.9582 1.3062 1.3076 1.5323 1.5585 1.8337 1.8471 1.9692 1.9947 4.2724 4.2872 4.3072 4.3139 4.3327 4.3508 4.5725 4.5962 5.9375 5.9383 k = 0.0000 0.0000 0.0265 ( 9655 PWs) bands (ev): -14.1077 -14.1076 -14.0284 -14.0284 -12.8577 -12.8577 -12.5964 -12.5963 -11.3758 -11.3757 -11.1298 -11.1298 -7.5329 -7.5324 -7.4585 -7.4581 -3.2154 -3.2104 -3.1372 -3.1316 -1.9527 -1.9429 -1.8511 -1.8335 -1.6930 -1.6826 -1.5084 -1.5073 -0.4332 -0.4129 -0.3198 -0.3046 -0.2413 -0.2391 -0.0156 -0.0016 0.4794 0.4823 0.6248 0.6336 0.8588 0.8609 0.9594 0.9597 1.3104 1.3109 1.5477 1.5667 1.8254 1.8347 1.9698 1.9877 4.2740 4.2838 4.3112 4.3163 4.3277 4.3403 4.5812 4.5973 5.9375 5.9381 k = 0.0000 0.0000 0.0132 ( 9649 PWs) bands (ev): -14.1086 -14.1086 -14.0272 -14.0272 -12.8609 -12.8609 -12.5925 -12.5924 -11.3795 -11.3795 -11.1269 -11.1269 -7.5337 -7.5335 -7.4574 -7.4572 -3.2153 -3.2128 -3.1349 -3.1321 -1.9504 -1.9455 -1.8428 -1.8335 -1.6955 -1.6898 -1.5066 -1.5060 -0.4287 -0.4179 -0.3182 -0.3090 -0.2406 -0.2406 -0.0115 -0.0044 0.4781 0.4796 0.6287 0.6333 0.8581 0.8592 0.9603 0.9605 1.3132 1.3134 1.5596 1.5696 1.8210 1.8259 1.9720 1.9812 4.2759 4.2807 4.3152 4.3199 4.3233 4.3317 4.5882 4.5963 5.9376 5.9379 k = 0.0000 0.0000 0.0000 ( 9649 PWs) bands (ev): -14.1089 -14.1089 -14.0268 -14.0268 -12.8620 -12.8620 -12.5911 -12.5911 -11.3808 -11.3808 -11.1260 -11.1260 -7.5340 -7.5340 -7.4570 -7.4570 -3.2144 -3.2144 -3.1332 -3.1332 -1.9480 -1.9480 -1.8367 -1.8367 -1.6944 -1.6944 -1.5058 -1.5058 -0.4234 -0.4234 -0.3142 -0.3142 -0.2405 -0.2405 -0.0078 -0.0078 0.4782 0.4782 0.6316 0.6316 0.8582 0.8582 0.9607 0.9607 1.3143 1.3143 1.5671 1.5671 1.8212 1.8212 1.9758 1.9758 4.2781 4.2781 4.3192 4.3192 4.3250 4.3250 4.5933 4.5933 5.9377 5.9377 k = 0.0000 0.0000 0.0000 ( 9649 PWs) bands (ev): -14.1089 -14.1089 -14.0268 -14.0268 -12.8620 -12.8620 -12.5911 -12.5911 -11.3808 -11.3808 -11.1260 -11.1260 -7.5340 -7.5340 -7.4570 -7.4570 -3.2144 -3.2144 -3.1332 -3.1332 -1.9480 -1.9480 -1.8367 -1.8367 -1.6944 -1.6944 -1.5058 -1.5058 -0.4234 -0.4234 -0.3142 -0.3142 -0.2405 -0.2405 -0.0078 -0.0078 0.4782 0.4782 0.6316 0.6316 0.8582 0.8582 0.9607 0.9607 1.3143 1.3143 1.5671 1.5671 1.8212 1.8212 1.9758 1.9758 4.2781 4.2781 4.3192 4.3192 4.3250 4.3250 4.5933 4.5933 5.9377 5.9377 k =-0.0106 0.0082 0.0000 ( 9641 PWs) bands (ev): -14.1086 -14.1086 -14.0265 -14.0265 -12.8618 -12.8618 -12.5910 -12.5910 -11.3807 -11.3807 -11.1260 -11.1260 -7.5344 -7.5344 -7.4576 -7.4575 -3.2150 -3.2146 -3.1340 -3.1335 -1.9493 -1.9488 -1.8392 -1.8377 -1.6960 -1.6958 -1.5083 -1.5053 -0.4251 -0.4218 -0.3277 -0.3011 -0.2526 -0.2232 -0.0083 -0.0046 0.4727 0.4833 0.6267 0.6362 0.8547 0.8606 0.9493 0.9698 1.3123 1.3177 1.5648 1.5665 1.8184 1.8259 1.9736 1.9766 4.2749 4.2822 4.3146 4.3210 4.3262 4.3288 4.5918 4.5955 5.9391 5.9395 k =-0.0213 0.0164 0.0000 ( 9645 PWs) bands (ev): -14.1077 -14.1076 -14.0257 -14.0256 -12.8612 -12.8612 -12.5908 -12.5907 -11.3806 -11.3806 -11.1263 -11.1263 -7.5358 -7.5358 -7.4593 -7.4591 -3.2163 -3.2156 -3.1359 -3.1349 -1.9527 -1.9517 -1.8452 -1.8422 -1.7007 -1.7002 -1.5126 -1.5067 -0.4266 -0.4210 -0.3384 -0.2963 -0.2519 -0.2033 -0.0062 0.0012 0.4668 0.4879 0.6215 0.6404 0.8499 0.8616 0.9357 0.9765 1.3117 1.3225 1.5598 1.5631 1.8173 1.8324 1.9700 1.9760 4.2727 4.2869 4.3103 4.3217 4.3295 4.3358 4.5910 4.5985 5.9436 5.9443 k =-0.0319 0.0247 0.0000 ( 9635 PWs) bands (ev): -14.1061 -14.1061 -14.0242 -14.0242 -12.8603 -12.8602 -12.5903 -12.5903 -11.3804 -11.3804 -11.1267 -11.1267 -7.5382 -7.5381 -7.4621 -7.4619 -3.2184 -3.2173 -3.1390 -3.1374 -1.9581 -1.9566 -1.8545 -1.8502 -1.7082 -1.7075 -1.5187 -1.5101 -0.4279 -0.4220 -0.3446 -0.3023 -0.2362 -0.1816 -0.0013 0.0094 0.4608 0.4918 0.6158 0.6442 0.8440 0.8612 0.9203 0.9806 1.3126 1.3285 1.5526 1.5570 1.8178 1.8402 1.9650 1.9740 4.2715 4.2917 4.3077 4.3233 4.3342 4.3441 4.5911 4.6020 5.9512 5.9522 k =-0.0426 0.0329 0.0000 ( 9631 PWs) bands (ev): -14.1040 -14.1039 -14.0222 -14.0222 -12.8590 -12.8589 -12.5897 -12.5896 -11.3801 -11.3801 -11.1274 -11.1273 -7.5414 -7.5413 -7.4661 -7.4657 -3.2212 -3.2197 -3.1431 -3.1410 -1.9655 -1.9636 -1.8669 -1.8614 -1.7186 -1.7177 -1.5265 -1.5156 -0.4291 -0.4256 -0.3456 -0.3109 -0.2137 -0.1587 0.0063 0.0198 0.4548 0.4950 0.6096 0.6476 0.8370 0.8596 0.9034 0.9824 1.3147 1.3356 1.5435 1.5484 1.8194 1.8492 1.9587 1.9708 4.2713 4.2950 4.3085 4.3262 4.3401 4.3532 4.5920 4.6062 5.9618 5.9630 k =-0.0532 0.0411 0.0000 ( 9641 PWs) bands (ev): -14.1012 -14.1012 -14.0197 -14.0196 -12.8573 -12.8572 -12.5889 -12.5888 -11.3798 -11.3798 -11.1281 -11.1281 -7.5455 -7.5454 -7.4710 -7.4706 -3.2248 -3.2230 -3.1483 -3.1457 -1.9748 -1.9725 -1.8821 -1.8757 -1.7315 -1.7305 -1.5360 -1.5230 -0.4313 -0.4307 -0.3417 -0.3183 -0.1882 -0.1350 0.0164 0.0322 0.4489 0.4975 0.6028 0.6503 0.8290 0.8567 0.8856 0.9818 1.3179 1.3435 1.5330 1.5376 1.8219 1.8587 1.9511 1.9664 4.2723 4.2958 4.3138 4.3306 4.3472 4.3632 4.5938 4.6108 5.9753 5.9768 k =-0.0638 0.0493 0.0000 ( 9647 PWs) bands (ev): -14.0979 -14.0978 -14.0166 -14.0165 -12.8553 -12.8551 -12.5879 -12.5878 -11.3793 -11.3793 -11.1291 -11.1291 -7.5505 -7.5504 -7.4771 -7.4765 -3.2290 -3.2269 -3.1545 -3.1515 -1.9860 -1.9833 -1.8999 -1.8926 -1.7469 -1.7457 -1.5471 -1.5323 -0.4384 -0.4330 -0.3342 -0.3236 -0.1608 -0.1109 0.0291 0.0462 0.4436 0.4993 0.5953 0.6521 0.8199 0.8526 0.8675 0.9791 1.3221 1.3521 1.5217 1.5250 1.8247 1.8682 1.9426 1.9609 4.2745 4.2959 4.3218 4.3363 4.3556 4.3739 4.5964 4.6159 5.9917 5.9934 k =-0.0745 0.0575 0.0000 ( 9637 PWs) bands (ev): -14.0940 -14.0939 -14.0129 -14.0128 -12.8529 -12.8527 -12.5867 -12.5867 -11.3788 -11.3788 -11.1302 -11.1302 -7.5563 -7.5562 -7.4841 -7.4835 -3.2340 -3.2316 -3.1618 -3.1583 -1.9989 -1.9959 -1.9200 -1.9120 -1.7643 -1.7631 -1.5597 -1.5435 -0.4460 -0.4363 -0.3264 -0.3241 -0.1323 -0.0868 0.0442 0.0615 0.4390 0.5003 0.5869 0.6526 0.8095 0.8474 0.8501 0.9744 1.3272 1.3608 1.5101 1.5110 1.8274 1.8770 1.9335 1.9546 4.2780 4.2966 4.3314 4.3436 4.3653 4.3854 4.5999 4.6215 6.0109 6.0127 k =-0.0851 0.0658 0.0000 ( 9625 PWs) bands (ev): -14.0895 -14.0894 -14.0087 -14.0087 -12.8501 -12.8500 -12.5854 -12.5853 -11.3782 -11.3782 -11.1314 -11.1314 -7.5630 -7.5629 -7.4921 -7.4914 -3.2396 -3.2369 -3.1700 -3.1660 -2.0135 -2.0102 -1.9419 -1.9334 -1.7836 -1.7824 -1.5737 -1.5564 -0.4537 -0.4407 -0.3267 -0.3123 -0.1031 -0.0633 0.0616 0.0775 0.4353 0.5005 0.5777 0.6513 0.7977 0.8345 0.8411 0.9679 1.3329 1.3693 1.4960 1.4989 1.8295 1.8836 1.9250 1.9476 4.2827 4.2983 4.3421 4.3525 4.3761 4.3977 4.6043 4.6274 6.0328 6.0346 k =-0.0957 0.0740 0.0000 ( 9637 PWs) bands (ev): -14.0844 -14.0843 -14.0040 -14.0040 -12.8471 -12.8469 -12.5839 -12.5838 -11.3776 -11.3776 -11.1329 -11.1328 -7.5705 -7.5703 -7.5011 -7.5003 -3.2459 -3.2429 -3.1792 -3.1748 -2.0298 -2.0263 -1.9655 -1.9566 -1.8045 -1.8033 -1.5890 -1.5708 -0.4612 -0.4462 -0.3250 -0.2994 -0.0738 -0.0407 0.0812 0.0940 0.4329 0.4999 0.5676 0.6476 0.7849 0.8214 0.8338 0.9599 1.3391 1.3771 1.4802 1.4887 1.8306 1.8850 1.9200 1.9403 4.2888 4.3013 4.3539 4.3630 4.3882 4.4108 4.6095 4.6338 6.0572 6.0590 k =-0.1064 0.0822 0.0000 ( 9635 PWs) bands (ev): -14.0789 -14.0787 -13.9989 -13.9988 -12.8437 -12.8435 -12.5823 -12.5822 -11.3769 -11.3768 -11.1344 -11.1344 -7.5788 -7.5786 -7.5110 -7.5102 -3.2528 -3.2496 -3.1892 -3.1844 -2.0475 -2.0440 -1.9903 -1.9810 -1.8267 -1.8257 -1.6054 -1.5867 -0.4685 -0.4524 -0.3217 -0.2859 -0.0448 -0.0196 0.1027 0.1105 0.4319 0.4985 0.5570 0.6406 0.7723 0.8108 0.8255 0.9505 1.3454 1.3834 1.4642 1.4802 1.8303 1.8787 1.9208 1.9328 4.2962 4.3057 4.3669 4.3751 4.4015 4.4246 4.6155 4.6405 6.0839 6.0856 k =-0.1170 0.0904 0.0000 ( 9625 PWs) bands (ev): -14.0728 -14.0726 -13.9932 -13.9931 -12.8400 -12.8398 -12.5805 -12.5804 -11.3761 -11.3761 -11.1361 -11.1361 -7.5878 -7.5876 -7.5217 -7.5208 -3.2603 -3.2569 -3.2001 -3.1949 -2.0668 -2.0632 -2.0160 -2.0065 -1.8498 -1.8491 -1.6229 -1.6038 -0.4755 -0.4593 -0.3172 -0.2722 -0.0168 -0.0001 0.1258 0.1267 0.4323 0.4959 0.5461 0.6298 0.7616 0.8023 0.8165 0.9398 1.3516 1.3877 1.4482 1.4743 1.8283 1.8670 1.9250 1.9254 4.3051 4.3115 4.3810 4.3888 4.4159 4.4392 4.6224 4.6476 6.1128 6.1144 k =-0.1277 0.0986 0.0000 ( 9643 PWs) bands (ev): -14.0662 -14.0660 -13.9871 -13.9870 -12.8360 -12.8358 -12.5786 -12.5785 -11.3753 -11.3752 -11.1380 -11.1379 -7.5974 -7.5973 -7.5332 -7.5323 -3.2684 -3.2648 -3.2118 -3.2061 -2.0875 -2.0841 -2.0422 -2.0326 -1.8737 -1.8735 -1.6413 -1.6220 -0.4822 -0.4665 -0.3121 -0.2586 0.0093 0.0174 0.1424 0.1498 0.4338 0.4921 0.5359 0.6152 0.7538 0.7953 0.8067 0.9279 1.3574 1.3895 1.4329 1.4715 1.8243 1.8528 1.9183 1.9297 4.3155 4.3188 4.3963 4.4042 4.4315 4.4546 4.6302 4.6551 6.1437 6.1452 k =-0.1383 0.1069 0.0000 ( 9643 PWs) bands (ev): -14.0592 -14.0590 -13.9805 -13.9804 -12.8318 -12.8315 -12.5766 -12.5765 -11.3744 -11.3743 -11.1399 -11.1399 -7.6078 -7.6076 -7.5455 -7.5446 -3.2770 -3.2733 -3.2242 -3.2181 -2.1096 -2.1064 -2.0686 -2.0591 -1.8984 -1.8980 -1.6604 -1.6410 -0.4888 -0.4740 -0.3067 -0.2453 0.0326 0.0330 0.1577 0.1741 0.4355 0.4866 0.5276 0.5977 0.7492 0.7897 0.7962 0.9149 1.3623 1.3890 1.4190 1.4715 1.8184 1.8372 1.9116 1.9337 4.3274 4.3276 4.4127 4.4211 4.4481 4.4708 4.6388 4.6630 6.1765 6.1777 k =-0.1489 0.1151 0.0000 ( 9639 PWs) bands (ev): -14.0517 -14.0515 -13.9736 -13.9735 -12.8273 -12.8270 -12.5745 -12.5744 -11.3734 -11.3734 -11.1420 -11.1419 -7.6188 -7.6186 -7.5585 -7.5575 -3.2861 -3.2823 -3.2372 -3.2308 -2.1333 -2.1301 -2.0949 -2.0856 -1.9238 -1.9226 -1.6802 -1.6608 -0.4951 -0.4815 -0.3013 -0.2326 0.0465 0.0521 0.1726 0.1981 0.4360 0.4787 0.5231 0.5785 0.7474 0.7853 0.7854 0.9010 1.3651 1.3870 1.4075 1.4735 1.8108 1.8208 1.9050 1.9367 4.3381 4.3407 4.4302 4.4395 4.4657 4.4877 4.6484 4.6715 6.2110 6.2119 k =-0.1596 0.1233 0.0000 ( 9637 PWs) bands (ev): -14.0438 -14.0436 -13.9663 -13.9661 -12.8226 -12.8223 -12.5723 -12.5721 -11.3725 -11.3724 -11.1441 -11.1441 -7.6303 -7.6301 -7.5721 -7.5711 -3.2957 -3.2919 -3.2509 -3.2442 -2.1583 -2.1552 -2.1207 -2.1120 -1.9493 -1.9472 -1.7004 -1.6811 -0.5014 -0.4890 -0.2963 -0.2206 0.0579 0.0669 0.1870 0.2208 0.4342 0.4678 0.5240 0.5593 0.7481 0.7740 0.7826 0.8860 1.3644 1.3847 1.4002 1.4764 1.8019 1.8039 1.8984 1.9384 4.3501 4.3555 4.4486 4.4592 4.4844 4.5054 4.6590 4.6807 6.2469 6.2475 k =-0.1702 0.1315 0.0000 ( 9637 PWs) bands (ev): -14.0355 -14.0353 -13.9586 -13.9584 -12.8176 -12.8173 -12.5699 -12.5698 -11.3715 -11.3714 -11.1464 -11.1464 -7.6424 -7.6422 -7.5863 -7.5853 -3.3057 -3.3019 -3.2651 -3.2580 -2.1844 -2.1813 -2.1461 -2.1382 -1.9748 -1.9716 -1.7210 -1.7019 -0.5075 -0.4964 -0.2917 -0.2095 0.0672 0.0764 0.2005 0.2415 0.4305 0.4534 0.5303 0.5413 0.7505 0.7626 0.7816 0.8702 1.3595 1.3826 1.3976 1.4793 1.7867 1.7922 1.8915 1.9386 4.3637 4.3718 4.4678 4.4800 4.5042 4.5239 4.6708 4.6906 6.2841 6.2843 k =-0.1809 0.1397 0.0000 ( 9653 PWs) bands (ev): -14.0269 -14.0267 -13.9506 -13.9504 -12.8125 -12.8122 -12.5675 -12.5674 -11.3704 -11.3704 -11.1488 -11.1487 -7.6549 -7.6547 -7.6010 -7.5999 -3.3162 -3.3123 -3.2797 -3.2724 -2.2114 -2.2081 -2.1711 -2.1642 -2.0002 -1.9957 -1.7419 -1.7229 -0.5134 -0.5036 -0.2877 -0.1994 0.0746 0.0808 0.2119 0.2590 0.4269 0.4358 0.5252 0.5405 0.7516 0.7539 0.7832 0.8537 1.3523 1.3814 1.3980 1.4814 1.7696 1.7823 1.8841 1.9374 4.3787 4.3894 4.4874 4.5016 4.5249 4.5431 4.6838 4.7016 6.3222 6.3224 k =-0.1915 0.1480 0.0000 ( 9651 PWs) bands (ev): -14.0180 -14.0177 -13.9423 -13.9421 -12.8072 -12.8069 -12.5650 -12.5649 -11.3693 -11.3693 -11.1512 -11.1511 -7.6678 -7.6676 -7.6161 -7.6151 -3.3269 -3.3232 -3.2948 -3.2871 -2.2390 -2.2355 -2.1957 -2.1900 -2.0252 -2.0193 -1.7628 -1.7440 -0.5191 -0.5105 -0.2843 -0.1904 0.0800 0.0802 0.2199 0.2719 0.4163 0.4254 0.5109 0.5524 0.7414 0.7574 0.7881 0.8369 1.3451 1.3812 1.3992 1.4822 1.7528 1.7728 1.8758 1.9347 4.3952 4.4083 4.5070 4.5234 4.5467 4.5632 4.6983 4.7138 6.3611 6.3616 k =-0.2021 0.1562 0.0000 ( 9647 PWs) bands (ev): -14.0088 -14.0085 -13.9337 -13.9336 -12.8018 -12.8014 -12.5625 -12.5623 -11.3683 -11.3682 -11.1537 -11.1536 -7.6811 -7.6809 -7.6316 -7.6306 -3.3380 -3.3344 -3.3102 -3.3022 -2.2667 -2.2631 -2.2199 -2.2156 -2.0497 -2.0424 -1.7838 -1.7652 -0.5247 -0.5171 -0.2818 -0.1824 0.0749 0.0836 0.2239 0.2781 0.3971 0.4273 0.4980 0.5641 0.7330 0.7606 0.7965 0.8202 1.3387 1.3820 1.4001 1.4815 1.7365 1.7641 1.8668 1.9306 4.4131 4.4285 4.5264 4.5450 4.5695 4.5841 4.7145 4.7275 6.4006 6.4016 k =-0.2128 0.1644 0.0000 ( 9635 PWs) bands (ev): -13.9993 -13.9991 -13.9250 -13.9248 -12.7962 -12.7959 -12.5599 -12.5598 -11.3671 -11.3671 -11.1562 -11.1562 -7.6947 -7.6945 -7.6475 -7.6464 -3.3494 -3.3460 -3.3258 -3.3175 -2.2944 -2.2906 -2.2439 -2.2409 -2.0737 -2.0648 -1.8046 -1.7863 -0.5300 -0.5232 -0.2800 -0.1756 0.0652 0.0855 0.2242 0.2753 0.3809 0.4326 0.4861 0.5734 0.7272 0.7640 0.8043 0.8077 1.3337 1.3837 1.4003 1.4789 1.7210 1.7566 1.8569 1.9251 4.4322 4.4496 4.5450 4.5658 4.5932 4.6058 4.7326 4.7433 6.4408 6.4421 k =-0.2234 0.1726 0.0000 ( 9632 PWs) bands (ev): -13.9896 -13.9894 -13.9160 -13.9159 -12.7906 -12.7902 -12.5573 -12.5571 -11.3660 -11.3660 -11.1588 -11.1588 -7.7085 -7.7084 -7.6635 -7.6624 -3.3611 -3.3579 -3.3416 -3.3329 -2.3218 -2.3179 -2.2676 -2.2660 -2.0971 -2.0866 -1.8252 -1.8072 -0.5350 -0.5289 -0.2789 -0.1699 0.0514 0.0858 0.2219 0.2626 0.3688 0.4400 0.4748 0.5784 0.7249 0.7683 0.7900 0.8209 1.3301 1.3859 1.3994 1.4747 1.7066 1.7506 1.8461 1.9183 4.4524 4.4717 4.5627 4.5853 4.6174 4.6283 4.7529 4.7613 6.4813 6.4829 k =-0.2340 0.1808 0.0000 ( 9648 PWs) bands (ev): -13.9798 -13.9796 -13.9069 -13.9068 -12.7849 -12.7845 -12.5547 -12.5545 -11.3649 -11.3649 -11.1614 -11.1614 -7.7226 -7.7224 -7.6797 -7.6787 -3.3729 -3.3701 -3.3574 -3.3485 -2.3488 -2.3448 -2.2909 -2.2906 -2.1197 -2.1076 -1.8456 -1.8279 -0.5397 -0.5341 -0.2785 -0.1654 0.0337 0.0848 0.2181 0.2419 0.3595 0.4476 0.4642 0.5782 0.7257 0.7738 0.7791 0.8353 1.3280 1.3882 1.3977 1.4693 1.6933 1.7462 1.8345 1.9104 4.4734 4.4945 4.5792 4.6032 4.6421 4.6511 4.7755 4.7820 6.5220 6.5240 k =-0.2447 0.1891 0.0000 ( 9660 PWs) bands (ev): -13.9699 -13.9696 -13.8977 -13.8975 -12.7791 -12.7788 -12.5521 -12.5519 -11.3638 -11.3637 -11.1641 -11.1640 -7.7367 -7.7366 -7.6960 -7.6950 -3.3850 -3.3826 -3.3733 -3.3640 -2.3752 -2.3712 -2.3149 -2.3138 -2.1415 -2.1279 -1.8656 -1.8482 -0.5441 -0.5386 -0.2787 -0.1618 0.0128 0.0824 0.2140 0.2161 0.3503 0.4539 0.4541 0.5727 0.7276 0.7741 0.7806 0.8501 1.3272 1.3896 1.3950 1.4634 1.6815 1.7435 1.8223 1.9014 4.4952 4.5178 4.5946 4.6193 4.6668 4.6741 4.8003 4.8054 6.5629 6.5651 k =-0.2553 0.1973 0.0000 ( 9664 PWs) bands (ev): -13.9599 -13.9596 -13.8884 -13.8883 -12.7734 -12.7730 -12.5494 -12.5492 -11.3627 -11.3626 -11.1667 -11.1667 -7.7509 -7.7508 -7.7123 -7.7113 -3.3972 -3.3954 -3.3891 -3.3793 -2.4010 -2.3969 -2.3386 -2.3362 -2.1625 -2.1474 -1.8851 -1.8681 -0.5480 -0.5425 -0.2794 -0.1593 -0.0110 0.0789 0.1876 0.2100 0.3397 0.4444 0.4571 0.5631 0.7283 0.7766 0.7885 0.8647 1.3275 1.3892 1.3918 1.4583 1.6711 1.7422 1.8095 1.8915 4.5174 4.5414 4.6089 4.6338 4.6914 4.6970 4.8274 4.8316 6.6036 6.6061 k =-0.2660 0.2055 0.0000 ( 9682 PWs) bands (ev): -13.9498 -13.9496 -13.8791 -13.8790 -12.7676 -12.7673 -12.5468 -12.5466 -11.3616 -11.3615 -11.1694 -11.1693 -7.7651 -7.7650 -7.7286 -7.7276 -3.4096 -3.4084 -3.4046 -3.3944 -2.4260 -2.4219 -2.3616 -2.3580 -2.1826 -2.1662 -1.9042 -1.8875 -0.5516 -0.5457 -0.2806 -0.1577 -0.0368 0.0742 0.1579 0.2065 0.3272 0.4347 0.4562 0.5504 0.7285 0.7851 0.7975 0.8786 1.3288 1.3859 1.3884 1.4551 1.6621 1.7421 1.7965 1.8809 4.5399 4.5650 4.6220 4.6467 4.7157 4.7196 4.8565 4.8601 6.6442 6.6468 k =-0.2766 0.2137 0.0000 ( 9694 PWs) bands (ev): -13.9398 -13.9396 -13.8698 -13.8697 -12.7619 -12.7615 -12.5442 -12.5440 -11.3605 -11.3604 -11.1720 -11.1719 -7.7792 -7.7792 -7.7447 -7.7438 -3.4227 -3.4217 -3.4193 -3.4091 -2.4502 -2.4461 -2.3839 -2.3792 -2.2018 -2.1842 -1.9227 -1.9064 -0.5547 -0.5482 -0.2821 -0.1570 -0.0640 0.0683 0.1279 0.2034 0.3131 0.4251 0.4508 0.5356 0.7303 0.7965 0.8071 0.8911 1.3308 1.3795 1.3854 1.4544 1.6545 1.7431 1.7833 1.8697 4.5624 4.5884 4.6342 4.6583 4.7395 4.7418 4.8872 4.8906 6.6843 6.6871 k =-0.2872 0.2219 0.0000 ( 9686 PWs) bands (ev): -13.9298 -13.9296 -13.8606 -13.8604 -12.7562 -12.7559 -12.5417 -12.5415 -11.3594 -11.3594 -11.1746 -11.1745 -7.7932 -7.7932 -7.7607 -7.7598 -3.4370 -3.4353 -3.4324 -3.4232 -2.4735 -2.4695 -2.4054 -2.3997 -2.2200 -2.2013 -1.9406 -1.9247 -0.5574 -0.5500 -0.2839 -0.1570 -0.0921 0.0612 0.0984 0.2007 0.2975 0.4154 0.4408 0.5193 0.7346 0.8088 0.8170 0.9019 1.3333 1.3706 1.3831 1.4559 1.6482 1.7448 1.7702 1.8580 4.5844 4.6111 4.6457 4.6690 4.7629 4.7637 4.9192 4.9225 6.7240 6.7269 k =-0.2979 0.2302 0.0000 ( 9690 PWs) bands (ev): -13.9199 -13.9197 -13.8515 -13.8513 -12.7507 -12.7503 -12.5392 -12.5390 -11.3584 -11.3583 -11.1771 -11.1771 -7.8071 -7.8070 -7.7763 -7.7755 -3.4518 -3.4491 -3.4448 -3.4368 -2.4959 -2.4919 -2.4260 -2.4195 -2.2374 -2.2177 -1.9578 -1.9423 -0.5597 -0.5511 -0.2858 -0.1578 -0.1206 0.0517 0.0708 0.1983 0.2809 0.4057 0.4270 0.5021 0.7415 0.8206 0.8270 0.9104 1.3360 1.3604 1.3821 1.4585 1.6430 1.7470 1.7574 1.8461 4.6057 4.6326 4.6569 4.6793 4.7851 4.7857 4.9521 4.9554 6.7631 6.7659 k =-0.3085 0.2384 0.0000 ( 9694 PWs) bands (ev): -13.9102 -13.9100 -13.8425 -13.8423 -12.7452 -12.7449 -12.5367 -12.5366 -11.3573 -11.3573 -11.1797 -11.1796 -7.8206 -7.8206 -7.7917 -7.7909 -3.4663 -3.4629 -3.4567 -3.4498 -2.5172 -2.5133 -2.4456 -2.4383 -2.2537 -2.2334 -1.9743 -1.9593 -0.5616 -0.5515 -0.2879 -0.1593 -0.1489 0.0341 0.0515 0.1960 0.2636 0.3961 0.4099 0.4845 0.7503 0.8313 0.8367 0.9165 1.3390 1.3500 1.3827 1.4616 1.6388 1.7450 1.7496 1.8340 4.6254 4.6521 4.6683 4.6901 4.8061 4.8078 4.9854 4.9888 6.8013 6.8041 k =-0.3191 0.2466 0.0000 ( 9698 PWs) bands (ev): -13.9007 -13.9005 -13.8337 -13.8335 -12.7399 -12.7396 -12.5344 -12.5342 -11.3564 -11.3563 -11.1821 -11.1821 -7.8339 -7.8338 -7.8066 -7.8059 -3.4805 -3.4766 -3.4684 -3.4624 -2.5376 -2.5338 -2.4642 -2.4564 -2.2691 -2.2482 -1.9901 -1.9756 -0.5632 -0.5513 -0.2900 -0.1764 -0.1614 0.0091 0.0400 0.1937 0.2459 0.3866 0.3903 0.4666 0.7604 0.8404 0.8459 0.9199 1.3402 1.3423 1.3848 1.4645 1.6353 1.7336 1.7521 1.8220 4.6428 4.6681 4.6807 4.7025 4.8266 4.8292 5.0188 5.0223 6.8387 6.8413 k =-0.3298 0.2548 0.0000 ( 9690 PWs) bands (ev): -13.8914 -13.8912 -13.8251 -13.8249 -12.7347 -12.7344 -12.5321 -12.5319 -11.3554 -11.3554 -11.1845 -11.1844 -7.8467 -7.8467 -7.8211 -7.8204 -3.4942 -3.4900 -3.4799 -3.4745 -2.5569 -2.5532 -2.4818 -2.4734 -2.2835 -2.2623 -2.0051 -1.9911 -0.5646 -0.5505 -0.2922 -0.2027 -0.1642 -0.0159 0.0294 0.1913 0.2283 0.3690 0.3775 0.4489 0.7712 0.8475 0.8544 0.9208 1.3317 1.3461 1.3881 1.4668 1.6326 1.7231 1.7545 1.8101 4.6569 4.6801 4.6948 4.7172 4.8466 4.8499 5.0520 5.0555 6.8750 6.8774 k =-0.3404 0.2630 0.0000 ( 9696 PWs) bands (ev): -13.8824 -13.8822 -13.8167 -13.8166 -12.7298 -12.7294 -12.5299 -12.5297 -11.3545 -11.3545 -11.1868 -11.1867 -7.8592 -7.8591 -7.8351 -7.8344 -3.5073 -3.5030 -3.4909 -3.4862 -2.5751 -2.5715 -2.4983 -2.4896 -2.2970 -2.2755 -2.0192 -2.0059 -0.5658 -0.5493 -0.2948 -0.2271 -0.1678 -0.0393 0.0184 0.1884 0.2108 0.3466 0.3687 0.4315 0.7823 0.8527 0.8619 0.9194 1.3249 1.3507 1.3924 1.4683 1.6305 1.7136 1.7566 1.7985 4.6678 4.6887 4.7106 4.7335 4.8659 4.8698 5.0846 5.0882 6.9101 6.9123 k =-0.3511 0.2713 0.0000 ( 9696 PWs) bands (ev): -13.8737 -13.8735 -13.8087 -13.8086 -12.7250 -12.7247 -12.5278 -12.5276 -11.3537 -11.3536 -11.1889 -11.1889 -7.8711 -7.8711 -7.8485 -7.8478 -3.5199 -3.5156 -3.5016 -3.4974 -2.5922 -2.5887 -2.5137 -2.5047 -2.3094 -2.2880 -2.0325 -2.0198 -0.5669 -0.5479 -0.2985 -0.2482 -0.1720 -0.0607 0.0070 0.1848 0.1940 0.3235 0.3605 0.4145 0.7931 0.8560 0.8680 0.9164 1.3200 1.3559 1.3972 1.4688 1.6290 1.7052 1.7583 1.7872 4.6764 4.6952 4.7271 4.7501 4.8845 4.8888 5.1164 5.1199 6.9439 6.9458 k =-0.3617 0.2795 0.0000 ( 9704 PWs) bands (ev): -13.8654 -13.8652 -13.8011 -13.8010 -12.7205 -12.7202 -12.5258 -12.5257 -11.3528 -11.3528 -11.1910 -11.1910 -7.8825 -7.8824 -7.8612 -7.8606 -3.5318 -3.5275 -3.5119 -3.5081 -2.6081 -2.6048 -2.5279 -2.5189 -2.3209 -2.2998 -2.0450 -2.0329 -0.5680 -0.5464 -0.3048 -0.2643 -0.1771 -0.0796 -0.0050 0.1779 0.1801 0.3005 0.3528 0.3981 0.8033 0.8576 0.8722 0.9127 1.3172 1.3616 1.4025 1.4683 1.6280 1.6980 1.7595 1.7765 4.6834 4.7004 4.7436 4.7660 4.9023 4.9068 5.1470 5.1505 6.9763 6.9779 k =-0.3723 0.2877 0.0000 ( 9718 PWs) bands (ev): -13.8575 -13.8574 -13.7938 -13.7937 -12.7162 -12.7159 -12.5239 -12.5238 -11.3521 -11.3520 -11.1930 -11.1930 -7.8933 -7.8932 -7.8732 -7.8726 -3.5430 -3.5389 -3.5216 -3.5182 -2.6229 -2.6198 -2.5410 -2.5320 -2.3313 -2.3108 -2.0566 -2.0452 -0.5692 -0.5452 -0.3147 -0.2735 -0.1830 -0.0959 -0.0174 0.1630 0.1738 0.2782 0.3457 0.3826 0.8123 0.8583 0.8733 0.9097 1.3165 1.3676 1.4079 1.4670 1.6275 1.6918 1.7601 1.7663 4.6893 4.7047 4.7594 4.7810 4.9192 4.9238 5.1763 5.1797 7.0071 7.0084 k =-0.3830 0.2959 0.0000 ( 9724 PWs) bands (ev): -13.8501 -13.8500 -13.7870 -13.7869 -12.7122 -12.7119 -12.5222 -12.5221 -11.3514 -11.3513 -11.1949 -11.1948 -7.9034 -7.9033 -7.8845 -7.8839 -3.5534 -3.5495 -3.5308 -3.5278 -2.6366 -2.6336 -2.5529 -2.5441 -2.3408 -2.3210 -2.0672 -2.0566 -0.5707 -0.5445 -0.3266 -0.2772 -0.1897 -0.1096 -0.0300 0.1495 0.1653 0.2573 0.3391 0.3681 0.8194 0.8589 0.8707 0.9087 1.3177 1.3734 1.4133 1.4649 1.6277 1.6866 1.7567 1.7600 4.6944 4.7083 4.7742 4.7947 4.9352 4.9397 5.2041 5.2073 7.0362 7.0372 k =-0.3936 0.3041 0.0000 ( 9724 PWs) bands (ev): -13.8432 -13.8430 -13.7806 -13.7805 -12.7084 -12.7082 -12.5206 -12.5205 -11.3507 -11.3507 -11.1966 -11.1965 -7.9128 -7.9127 -7.8949 -7.8945 -3.5631 -3.5594 -3.5394 -3.5367 -2.6490 -2.6463 -2.5637 -2.5552 -2.3493 -2.3304 -2.0769 -2.0671 -0.5723 -0.5448 -0.3374 -0.2777 -0.1970 -0.1211 -0.0425 0.1377 0.1538 0.2386 0.3331 0.3548 0.8233 0.8608 0.8648 0.9096 1.3207 1.3789 1.4185 1.4624 1.6285 1.6823 1.7479 1.7592 4.6988 4.7113 4.7880 4.8071 4.9502 4.9545 5.2300 5.2331 7.0635 7.0642 k =-0.4043 0.3124 0.0000 ( 9716 PWs) bands (ev): -13.8368 -13.8367 -13.7747 -13.7746 -12.7050 -12.7048 -12.5191 -12.5190 -11.3501 -11.3501 -11.1981 -11.1981 -7.9214 -7.9214 -7.9045 -7.9041 -3.5719 -3.5685 -3.5474 -3.5450 -2.6603 -2.6578 -2.5734 -2.5653 -2.3568 -2.3391 -2.0857 -2.0768 -0.5742 -0.5463 -0.3456 -0.2765 -0.2046 -0.1308 -0.0545 0.1277 0.1390 0.2225 0.3277 0.3430 0.8238 0.8570 0.8648 0.9114 1.3250 1.3836 1.4235 1.4595 1.6300 1.6786 1.7399 1.7576 4.7027 4.7138 4.8005 4.8181 4.9640 4.9680 5.2541 5.2569 7.0887 7.0892 k =-0.4149 0.3206 0.0000 ( 9714 PWs) bands (ev): -13.8310 -13.8309 -13.7694 -13.7693 -12.7019 -12.7017 -12.5178 -12.5177 -11.3495 -11.3495 -11.1996 -11.1996 -7.9293 -7.9292 -7.9132 -7.9129 -3.5799 -3.5767 -3.5546 -3.5525 -2.6704 -2.6681 -2.5819 -2.5744 -2.3634 -2.3470 -2.0935 -2.0855 -0.5763 -0.5490 -0.3505 -0.2739 -0.2126 -0.1393 -0.0654 0.1198 0.1212 0.2087 0.3229 0.3327 0.8215 0.8483 0.8705 0.9134 1.3305 1.3875 1.4281 1.4566 1.6322 1.6755 1.7327 1.7553 4.7061 4.7160 4.8119 4.8277 4.9766 4.9803 5.2760 5.2786 7.1119 7.1122 k =-0.4255 0.3288 0.0000 ( 9706 PWs) bands (ev): -13.8258 -13.8257 -13.7646 -13.7645 -12.6991 -12.6989 -12.5166 -12.5165 -11.3491 -11.3490 -11.2009 -11.2008 -7.9363 -7.9363 -7.9210 -7.9207 -3.5869 -3.5841 -3.5611 -3.5593 -2.6793 -2.6773 -2.5893 -2.5824 -2.3690 -2.3542 -2.1004 -2.0933 -0.5786 -0.5529 -0.3518 -0.2703 -0.2209 -0.1475 -0.0741 0.1013 0.1140 0.1965 0.3186 0.3241 0.8178 0.8396 0.8768 0.9152 1.3368 1.3904 1.4322 1.4538 1.6350 1.6728 1.7265 1.7522 4.7091 4.7177 4.8220 4.8360 4.9879 4.9912 5.2956 5.2980 7.1328 7.1329 k =-0.4362 0.3370 0.0000 ( 9702 PWs) bands (ev): -13.8212 -13.8211 -13.7603 -13.7603 -12.6967 -12.6965 -12.5156 -12.5155 -11.3486 -11.3486 -11.2020 -11.2020 -7.9425 -7.9424 -7.9278 -7.9276 -3.5931 -3.5906 -3.5668 -3.5652 -2.6870 -2.6852 -2.5955 -2.5894 -2.3736 -2.3606 -2.1063 -2.1001 -0.5807 -0.5578 -0.3497 -0.2657 -0.2296 -0.1562 -0.0798 0.0802 0.1103 0.1852 0.3148 0.3171 0.8136 0.8312 0.8833 0.9165 1.3437 1.3922 1.4357 1.4512 1.6383 1.6704 1.7214 1.7485 4.7118 4.7191 4.8308 4.8429 4.9979 5.0008 5.3129 5.3150 7.1512 7.1512 k =-0.4468 0.3452 0.0000 ( 9702 PWs) bands (ev): -13.8173 -13.8172 -13.7567 -13.7567 -12.6946 -12.6945 -12.5147 -12.5146 -11.3483 -11.3483 -11.2029 -11.2029 -7.9478 -7.9477 -7.9336 -7.9334 -3.5983 -3.5962 -3.5716 -3.5704 -2.6935 -2.6920 -2.6007 -2.5955 -2.3773 -2.3662 -2.1112 -2.1060 -0.5827 -0.5630 -0.3448 -0.2602 -0.2388 -0.1657 -0.0817 0.0587 0.1088 0.1745 0.3115 0.3117 0.8095 0.8234 0.8894 0.9173 1.3508 1.3930 1.4385 1.4490 1.6421 1.6682 1.7175 1.7442 4.7140 4.7201 4.8383 4.8486 5.0065 5.0089 5.3278 5.3295 7.1670 7.1671 k =-0.4574 0.3535 0.0000 ( 9684 PWs) bands (ev): -13.8141 -13.8140 -13.7537 -13.7537 -12.6929 -12.6928 -12.5139 -12.5139 -11.3480 -11.3480 -11.2037 -11.2037 -7.9521 -7.9521 -7.9384 -7.9382 -3.6025 -3.6008 -3.5756 -3.5746 -2.6988 -2.6976 -2.6048 -2.6005 -2.3801 -2.3710 -2.1151 -2.1109 -0.5843 -0.5684 -0.3375 -0.2538 -0.2487 -0.1762 -0.0796 0.0374 0.1092 0.1641 0.3078 0.3087 0.8058 0.8166 0.8951 0.9174 1.3578 1.3927 1.4405 1.4473 1.6459 1.6662 1.7151 1.7395 4.7160 4.7208 4.8447 4.8529 5.0136 5.0155 5.3401 5.3415 7.1802 7.1803 k =-0.4681 0.3617 0.0000 ( 9702 PWs) bands (ev): -13.8115 -13.8115 -13.7514 -13.7514 -12.6915 -12.6914 -12.5134 -12.5133 -11.3477 -11.3477 -11.2043 -11.2043 -7.9555 -7.9555 -7.9422 -7.9420 -3.6058 -3.6045 -3.5787 -3.5780 -2.7028 -2.7019 -2.6079 -2.6046 -2.3820 -2.3751 -2.1181 -2.1149 -0.5854 -0.5733 -0.3284 -0.2594 -0.2465 -0.1873 -0.0737 0.0167 0.1115 0.1541 0.3050 0.3064 0.8030 0.8109 0.9001 0.9170 1.3646 1.3914 1.4420 1.4459 1.6496 1.6642 1.7141 1.7344 4.7176 4.7212 4.8499 4.8561 5.0192 5.0207 5.3497 5.3508 7.1905 7.1907 k =-0.4787 0.3699 0.0000 ( 9702 PWs) bands (ev): -13.8097 -13.8097 -13.7497 -13.7497 -12.6906 -12.6905 -12.5130 -12.5129 -11.3476 -11.3476 -11.2048 -11.2048 -7.9579 -7.9579 -7.9449 -7.9448 -3.6081 -3.6072 -3.5809 -3.5804 -2.7057 -2.7051 -2.6099 -2.6076 -2.3830 -2.3783 -2.1200 -2.1179 -0.5857 -0.5776 -0.3179 -0.2707 -0.2384 -0.1985 -0.0644 -0.0029 0.1155 0.1446 0.3033 0.3046 0.8013 0.8064 0.9046 0.9158 1.3710 1.3891 1.4429 1.4450 1.6530 1.6624 1.7147 1.7293 4.7189 4.7213 4.8538 4.8580 5.0233 5.0243 5.3567 5.3574 7.1980 7.1981 k =-0.4894 0.3781 0.0000 ( 9686 PWs) bands (ev): -13.8086 -13.8086 -13.7487 -13.7487 -12.6900 -12.6899 -12.5127 -12.5127 -11.3475 -11.3475 -11.2050 -11.2050 -7.9594 -7.9594 -7.9465 -7.9464 -3.6093 -3.6089 -3.5822 -3.5820 -2.7074 -2.7071 -2.6108 -2.6097 -2.3831 -2.3807 -2.1210 -2.1199 -0.5851 -0.5811 -0.3065 -0.2825 -0.2295 -0.2094 -0.0523 -0.0212 0.1210 0.1358 0.3026 0.3033 0.8006 0.8032 0.9084 0.9140 1.3768 1.3859 1.4435 1.4444 1.6559 1.6604 1.7168 1.7245 4.7200 4.7211 4.8566 4.8587 5.0259 5.0264 5.3610 5.3614 7.2026 7.2027 k =-0.5000 0.3863 0.0000 ( 9682 PWs) bands (ev): -13.8082 -13.8082 -13.7484 -13.7484 -12.6898 -12.6898 -12.5126 -12.5126 -11.3474 -11.3474 -11.2051 -11.2051 -7.9599 -7.9599 -7.9470 -7.9470 -3.6096 -3.6096 -3.5826 -3.5826 -2.7078 -2.7078 -2.6108 -2.6108 -2.3823 -2.3823 -2.1209 -2.1209 -0.5836 -0.5836 -0.2946 -0.2946 -0.2198 -0.2198 -0.0378 -0.0378 0.1278 0.1278 0.3026 0.3026 0.8013 0.8013 0.9116 0.9116 1.3818 1.3818 1.4440 1.4440 1.6583 1.6583 1.7202 1.7202 4.7207 4.7207 4.8582 4.8582 5.0269 5.0269 5.3626 5.3626 7.2041 7.2041 k =-0.5000 0.3863 0.0000 ( 9682 PWs) bands (ev): -13.8082 -13.8082 -13.7484 -13.7484 -12.6898 -12.6898 -12.5126 -12.5126 -11.3474 -11.3474 -11.2051 -11.2051 -7.9599 -7.9599 -7.9470 -7.9470 -3.6096 -3.6096 -3.5826 -3.5826 -2.7078 -2.7078 -2.6108 -2.6108 -2.3823 -2.3823 -2.1209 -2.1209 -0.5836 -0.5836 -0.2946 -0.2946 -0.2198 -0.2198 -0.0378 -0.0378 0.1278 0.1278 0.3026 0.3026 0.8013 0.8013 0.9116 0.9116 1.3818 1.3818 1.4440 1.4440 1.6583 1.6583 1.7202 1.7202 4.7207 4.7207 4.8582 4.8582 5.0269 5.0269 5.3626 5.3626 7.2041 7.2041 k =-0.4923 0.3964-0.0000 ( 9700 PWs) bands (ev): -13.8083 -13.8083 -13.7485 -13.7485 -12.6896 -12.6896 -12.5128 -12.5128 -11.3474 -11.3474 -11.2054 -11.2054 -7.9597 -7.9597 -7.9469 -7.9469 -3.6094 -3.6094 -3.5825 -3.5825 -2.7076 -2.7075 -2.6108 -2.6108 -2.3819 -2.3819 -2.1211 -2.1211 -0.5834 -0.5834 -0.2950 -0.2950 -0.2200 -0.2199 -0.0377 -0.0377 0.1284 0.1284 0.3016 0.3016 0.8031 0.8031 0.9128 0.9128 1.3825 1.3825 1.4435 1.4435 1.6590 1.6591 1.7207 1.7207 4.7219 4.7219 4.8589 4.8589 5.0264 5.0264 5.3611 5.3611 7.2036 7.2036 k =-0.4845 0.4064-0.0000 ( 9694 PWs) bands (ev): -13.8085 -13.8085 -13.7490 -13.7490 -12.6893 -12.6893 -12.5133 -12.5133 -11.3474 -11.3474 -11.2060 -11.2060 -7.9593 -7.9593 -7.9467 -7.9467 -3.6086 -3.6086 -3.5824 -3.5823 -2.7067 -2.7067 -2.6109 -2.6109 -2.3807 -2.3807 -2.1218 -2.1218 -0.5826 -0.5826 -0.2964 -0.2964 -0.2204 -0.2204 -0.0377 -0.0376 0.1302 0.1302 0.2988 0.2988 0.8086 0.8086 0.9165 0.9165 1.3846 1.3846 1.4420 1.4420 1.6612 1.6613 1.7223 1.7223 4.7256 4.7256 4.8609 4.8609 5.0249 5.0249 5.3567 5.3567 7.2021 7.2021 k =-0.4768 0.4164-0.0000 ( 9688 PWs) bands (ev): -13.8088 -13.8088 -13.7497 -13.7497 -12.6888 -12.6888 -12.5141 -12.5141 -11.3474 -11.3474 -11.2071 -11.2071 -7.9586 -7.9586 -7.9464 -7.9464 -3.6074 -3.6074 -3.5821 -3.5820 -2.7054 -2.7054 -2.6111 -2.6111 -2.3786 -2.3786 -2.1230 -2.1230 -0.5814 -0.5814 -0.2986 -0.2986 -0.2212 -0.2212 -0.0375 -0.0374 0.1332 0.1332 0.2941 0.2941 0.8174 0.8175 0.9225 0.9225 1.3882 1.3882 1.4395 1.4395 1.6649 1.6649 1.7250 1.7250 4.7316 4.7317 4.8643 4.8643 5.0223 5.0223 5.3494 5.3494 7.1995 7.1995 k =-0.4690 0.4265-0.0000 ( 9694 PWs) bands (ev): -13.8092 -13.8092 -13.7508 -13.7508 -12.6880 -12.6880 -12.5152 -12.5152 -11.3473 -11.3473 -11.2086 -11.2086 -7.9576 -7.9576 -7.9459 -7.9459 -3.6057 -3.6057 -3.5817 -3.5816 -2.7035 -2.7035 -2.6113 -2.6113 -2.3757 -2.3757 -2.1246 -2.1246 -0.5797 -0.5797 -0.3017 -0.3017 -0.2222 -0.2222 -0.0371 -0.0371 0.1371 0.1371 0.2880 0.2880 0.8293 0.8293 0.9308 0.9308 1.3932 1.3932 1.4363 1.4363 1.6699 1.6699 1.7287 1.7288 4.7399 4.7400 4.8688 4.8688 5.0188 5.0188 5.3394 5.3394 7.1959 7.1959 k =-0.4613 0.4365-0.0000 ( 9690 PWs) bands (ev): -13.8097 -13.8097 -13.7522 -13.7522 -12.6871 -12.6871 -12.5167 -12.5167 -11.3472 -11.3472 -11.2106 -11.2106 -7.9563 -7.9563 -7.9453 -7.9453 -3.6035 -3.6035 -3.5811 -3.5810 -2.7010 -2.7010 -2.6115 -2.6115 -2.3720 -2.3720 -2.1267 -2.1267 -0.5774 -0.5774 -0.3054 -0.3054 -0.2234 -0.2234 -0.0365 -0.0365 0.1418 0.1418 0.2808 0.2808 0.8437 0.8438 0.9411 0.9412 1.3995 1.3995 1.4325 1.4325 1.6762 1.6763 1.7337 1.7337 4.7503 4.7503 4.8744 4.8744 5.0144 5.0144 5.3267 5.3267 7.1913 7.1913 k =-0.4535 0.4465-0.0000 ( 9688 PWs) bands (ev): -13.8103 -13.8103 -13.7539 -13.7539 -12.6859 -12.6859 -12.5184 -12.5184 -11.3471 -11.3471 -11.2129 -11.2129 -7.9547 -7.9547 -7.9445 -7.9445 -3.6009 -3.6008 -3.5803 -3.5802 -2.6979 -2.6979 -2.6117 -2.6116 -2.3675 -2.3675 -2.1293 -2.1293 -0.5745 -0.5745 -0.3097 -0.3097 -0.2248 -0.2248 -0.0356 -0.0356 0.1466 0.1466 0.2731 0.2731 0.8602 0.8603 0.9533 0.9534 1.4070 1.4070 1.4285 1.4286 1.6837 1.6838 1.7400 1.7400 4.7626 4.7626 4.8809 4.8809 5.0090 5.0090 5.3116 5.3116 7.1856 7.1856 k =-0.4458 0.4565-0.0000 ( 9678 PWs) bands (ev): -13.8111 -13.8111 -13.7559 -13.7559 -12.6845 -12.6845 -12.5205 -12.5205 -11.3469 -11.3469 -11.2157 -11.2157 -7.9528 -7.9528 -7.9435 -7.9435 -3.5978 -3.5977 -3.5793 -3.5792 -2.6942 -2.6942 -2.6117 -2.6117 -2.3623 -2.3623 -2.1325 -2.1325 -0.5710 -0.5710 -0.3143 -0.3143 -0.2264 -0.2263 -0.0345 -0.0345 0.1507 0.1508 0.2662 0.2662 0.8781 0.8782 0.9669 0.9670 1.4144 1.4145 1.4260 1.4261 1.6922 1.6922 1.7476 1.7476 4.7766 4.7766 4.8882 4.8882 5.0028 5.0029 5.2942 5.2942 7.1789 7.1789 k =-0.4380 0.4666-0.0000 ( 9674 PWs) bands (ev): -13.8120 -13.8120 -13.7582 -13.7582 -12.6830 -12.6830 -12.5229 -12.5229 -11.3467 -11.3467 -11.2187 -11.2187 -7.9506 -7.9506 -7.9423 -7.9423 -3.5943 -3.5942 -3.5780 -3.5779 -2.6899 -2.6898 -2.6117 -2.6117 -2.3563 -2.3563 -2.1362 -2.1362 -0.5668 -0.5668 -0.3190 -0.3190 -0.2280 -0.2280 -0.0332 -0.0332 0.1527 0.1528 0.2616 0.2616 0.8970 0.8971 0.9816 0.9817 1.4161 1.4162 1.4311 1.4312 1.7014 1.7015 1.7566 1.7566 4.7919 4.7919 4.8960 4.8960 4.9959 4.9959 5.2748 5.2748 7.1711 7.1711 k =-0.4303 0.4766-0.0000 ( 9684 PWs) bands (ev): -13.8131 -13.8131 -13.7608 -13.7608 -12.6812 -12.6812 -12.5257 -12.5257 -11.3464 -11.3464 -11.2222 -11.2222 -7.9481 -7.9481 -7.9410 -7.9410 -3.5905 -3.5904 -3.5763 -3.5762 -2.6849 -2.6849 -2.6115 -2.6114 -2.3496 -2.3495 -2.1404 -2.1404 -0.5619 -0.5618 -0.3236 -0.3235 -0.2297 -0.2297 -0.0319 -0.0318 0.1511 0.1511 0.2610 0.2610 0.9163 0.9164 0.9967 0.9968 1.4141 1.4141 1.4425 1.4425 1.7112 1.7113 1.7670 1.7670 4.8083 4.8083 4.9040 4.9040 4.9883 4.9883 5.2537 5.2537 7.1622 7.1623 k =-0.4225 0.4866-0.0000 ( 9681 PWs) bands (ev): -13.8143 -13.8143 -13.7637 -13.7637 -12.6793 -12.6793 -12.5288 -12.5288 -11.3460 -11.3460 -11.2260 -11.2260 -7.9453 -7.9452 -7.9394 -7.9394 -3.5865 -3.5863 -3.5741 -3.5740 -2.6792 -2.6792 -2.6110 -2.6109 -2.3421 -2.3421 -2.1453 -2.1452 -0.5562 -0.5562 -0.3276 -0.3276 -0.2315 -0.2315 -0.0309 -0.0308 0.1452 0.1453 0.2656 0.2656 0.9354 0.9355 1.0116 1.0117 1.4128 1.4128 1.4561 1.4562 1.7214 1.7214 1.7787 1.7788 4.8254 4.8255 4.9121 4.9121 4.9802 4.9802 5.2310 5.2310 7.1523 7.1524 k =-0.4148 0.4967-0.0000 ( 9683 PWs) bands (ev): -13.8156 -13.8156 -13.7670 -13.7670 -12.6772 -12.6772 -12.5321 -12.5321 -11.3455 -11.3455 -11.2300 -11.2300 -7.9421 -7.9421 -7.9376 -7.9375 -3.5823 -3.5821 -3.5713 -3.5711 -2.6729 -2.6728 -2.6101 -2.6101 -2.3341 -2.3340 -2.1506 -2.1506 -0.5498 -0.5497 -0.3311 -0.3310 -0.2333 -0.2332 -0.0307 -0.0306 0.1358 0.1359 0.2749 0.2749 0.9539 0.9540 1.0259 1.0260 1.4135 1.4136 1.4715 1.4716 1.7318 1.7319 1.7917 1.7918 4.8429 4.8430 4.9199 4.9200 4.9716 4.9716 5.2072 5.2072 7.1414 7.1414 k =-0.4070 0.5067-0.0000 ( 9689 PWs) bands (ev): -13.8171 -13.8171 -13.7705 -13.7705 -12.6750 -12.6750 -12.5359 -12.5359 -11.3449 -11.3449 -11.2343 -11.2343 -7.9387 -7.9386 -7.9355 -7.9354 -3.5782 -3.5780 -3.5677 -3.5674 -2.6659 -2.6658 -2.6089 -2.6088 -2.3253 -2.3253 -2.1565 -2.1564 -0.5425 -0.5425 -0.3337 -0.3336 -0.2350 -0.2349 -0.0319 -0.0319 0.1248 0.1248 0.2880 0.2880 0.9708 0.9709 1.0390 1.0391 1.4172 1.4172 1.4885 1.4885 1.7424 1.7424 1.8057 1.8057 4.8604 4.8604 4.9272 4.9272 4.9629 4.9629 5.1824 5.1824 7.1293 7.1294 k =-0.3993 0.5167-0.0000 ( 9685 PWs) bands (ev): -13.8188 -13.8188 -13.7744 -13.7744 -12.6726 -12.6726 -12.5399 -12.5399 -11.3442 -11.3442 -11.2389 -11.2389 -7.9350 -7.9348 -7.9331 -7.9329 -3.5743 -3.5740 -3.5631 -3.5629 -2.6581 -2.6580 -2.6071 -2.6070 -2.3160 -2.3160 -2.1628 -2.1628 -0.5344 -0.5344 -0.3354 -0.3353 -0.2364 -0.2364 -0.0355 -0.0355 0.1139 0.1139 0.3038 0.3038 0.9855 0.9856 1.0510 1.0511 1.4243 1.4243 1.5070 1.5070 1.7530 1.7531 1.8204 1.8204 4.8771 4.8771 4.9331 4.9332 4.9550 4.9550 5.1570 5.1570 7.1162 7.1162 k =-0.3993 0.5167-0.0000 ( 9685 PWs) bands (ev): -13.8188 -13.8188 -13.7744 -13.7744 -12.6726 -12.6726 -12.5399 -12.5399 -11.3442 -11.3442 -11.2389 -11.2389 -7.9350 -7.9348 -7.9331 -7.9329 -3.5743 -3.5740 -3.5631 -3.5629 -2.6581 -2.6580 -2.6071 -2.6070 -2.3160 -2.3160 -2.1628 -2.1628 -0.5344 -0.5344 -0.3354 -0.3353 -0.2364 -0.2364 -0.0355 -0.0355 0.1139 0.1139 0.3038 0.3038 0.9855 0.9856 1.0510 1.0511 1.4243 1.4243 1.5070 1.5070 1.7530 1.7531 1.8204 1.8204 4.8771 4.8771 4.9331 4.9332 4.9550 4.9550 5.1570 5.1570 7.1162 7.1162 k =-0.3993 0.5167 0.0132 ( 9697 PWs) bands (ev): -13.8186 -13.8186 -13.7746 -13.7746 -12.6721 -12.6721 -12.5405 -12.5405 -11.3437 -11.3437 -11.2393 -11.2393 -7.9350 -7.9348 -7.9331 -7.9329 -3.5750 -3.5732 -3.5633 -3.5625 -2.6604 -2.6564 -2.6083 -2.6070 -2.3157 -2.3139 -2.1637 -2.1623 -0.5393 -0.5276 -0.3460 -0.3341 -0.2439 -0.2324 -0.0332 -0.0306 0.1144 0.1216 0.2993 0.3085 0.9769 0.9881 1.0421 1.0561 1.4166 1.4301 1.5049 1.5180 1.7420 1.7619 1.8133 1.8276 4.8728 4.8744 4.9327 4.9404 4.9526 4.9576 5.1550 5.1590 7.1162 7.1164 k =-0.3993 0.5167 0.0265 ( 9683 PWs) bands (ev): -13.8181 -13.8181 -13.7752 -13.7752 -12.6705 -12.6704 -12.5423 -12.5422 -11.3422 -11.3422 -11.2406 -11.2406 -7.9351 -7.9348 -7.9331 -7.9329 -3.5757 -3.5722 -3.5635 -3.5620 -2.6633 -2.6553 -2.6106 -2.6079 -2.3130 -2.3096 -2.1650 -2.1622 -0.5425 -0.5190 -0.3625 -0.3429 -0.2569 -0.2300 -0.0238 -0.0195 0.1229 0.1350 0.2953 0.3147 0.9623 0.9845 1.0299 1.0569 1.4082 1.4353 1.5105 1.5362 1.7304 1.7660 1.8086 1.8338 4.8649 4.8661 4.9329 4.9489 4.9555 4.9626 5.1532 5.1607 7.1164 7.1167 k =-0.3993 0.5167 0.0397 ( 9679 PWs) bands (ev): -13.8173 -13.8172 -13.7763 -13.7762 -12.6678 -12.6677 -12.5452 -12.5451 -11.3398 -11.3398 -11.2427 -11.2426 -7.9351 -7.9347 -7.9332 -7.9329 -3.5762 -3.5711 -3.5637 -3.5615 -2.6664 -2.6548 -2.6139 -2.6099 -2.3081 -2.3032 -2.1667 -2.1626 -0.5443 -0.5093 -0.3806 -0.3591 -0.2752 -0.2291 -0.0100 -0.0035 0.1366 0.1510 0.2936 0.3244 0.9423 0.9748 1.0149 1.0532 1.4017 1.4417 1.5208 1.5588 1.7195 1.7631 1.8082 1.8385 4.8560 4.8565 4.9272 4.9494 4.9670 4.9758 5.1517 5.1620 7.1168 7.1172 k =-0.3993 0.5167 0.0530 ( 9677 PWs) bands (ev): -13.8161 -13.8160 -13.7776 -13.7776 -12.6641 -12.6640 -12.5492 -12.5491 -11.3366 -11.3365 -11.2455 -11.2454 -7.9351 -7.9346 -7.9333 -7.9330 -3.5767 -3.5700 -3.5637 -3.5609 -2.6697 -2.6548 -2.6181 -2.6127 -2.3012 -2.2951 -2.1689 -2.1635 -0.5452 -0.5004 -0.3966 -0.3794 -0.2965 -0.2289 0.0034 0.0146 0.1512 0.1683 0.2974 0.3396 0.9179 0.9597 0.9975 1.0450 1.3984 1.4506 1.5328 1.5833 1.7106 1.7544 1.8111 1.8413 4.8462 4.8491 4.9181 4.9450 4.9825 4.9927 5.1502 5.1625 7.1173 7.1179 k =-0.3993 0.5167 0.0662 ( 9672 PWs) bands (ev): -13.8145 -13.8145 -13.7793 -13.7793 -12.6594 -12.6593 -12.5542 -12.5541 -11.3325 -11.3324 -11.2491 -11.2490 -7.9351 -7.9345 -7.9333 -7.9330 -3.5770 -3.5689 -3.5637 -3.5602 -2.6728 -2.6550 -2.6229 -2.6163 -2.2927 -2.2856 -2.1717 -2.1650 -0.5456 -0.4953 -0.4065 -0.4015 -0.3181 -0.2276 0.0109 0.0300 0.1654 0.1881 0.3093 0.3606 0.8900 0.9401 0.9780 1.0328 1.3989 1.4622 1.5440 1.6080 1.7050 1.7429 1.8142 1.8420 4.8377 4.8433 4.9075 4.9380 4.9994 5.0104 5.1487 5.1621 7.1181 7.1187 k =-0.3993 0.5167 0.0795 ( 9680 PWs) bands (ev): -13.8127 -13.8127 -13.7814 -13.7813 -12.6538 -12.6537 -12.5601 -12.5600 -11.3277 -11.3276 -11.2534 -11.2533 -7.9351 -7.9344 -7.9334 -7.9330 -3.5773 -3.5678 -3.5636 -3.5596 -2.6756 -2.6552 -2.6281 -2.6205 -2.2828 -2.2751 -2.1753 -2.1673 -0.5458 -0.4971 -0.4239 -0.4083 -0.3365 -0.2233 0.0093 0.0362 0.1826 0.2123 0.3288 0.3858 0.8603 0.9175 0.9567 1.0169 1.4026 1.4761 1.5522 1.6314 1.7040 1.7308 1.8160 1.8406 4.8309 4.8395 4.8962 4.9290 5.0169 5.0282 5.1469 5.1605 7.1191 7.1198 k =-0.3993 0.5167 0.0927 ( 9683 PWs) bands (ev): -13.8106 -13.8106 -13.7837 -13.7836 -12.6475 -12.6474 -12.5668 -12.5667 -11.3222 -11.3221 -11.2583 -11.2582 -7.9351 -7.9343 -7.9335 -7.9331 -3.5775 -3.5668 -3.5635 -3.5590 -2.6779 -2.6552 -2.6335 -2.6250 -2.2720 -2.2641 -2.1797 -2.1704 -0.5458 -0.5046 -0.4456 -0.4073 -0.3462 -0.2148 -0.0013 0.0300 0.2063 0.2409 0.3523 0.4123 0.8303 0.8939 0.9342 0.9981 1.4086 1.4917 1.5564 1.6510 1.7084 1.7208 1.8159 1.8370 4.8262 4.8378 4.8845 4.9189 5.0341 5.0454 5.1445 5.1577 7.1204 7.1211 k =-0.3993 0.5167 0.1060 ( 9689 PWs) bands (ev): -13.8083 -13.8083 -13.7862 -13.7861 -12.6404 -12.6403 -12.5742 -12.5741 -11.3162 -11.3161 -11.2638 -11.2636 -7.9352 -7.9342 -7.9336 -7.9331 -3.5776 -3.5659 -3.5634 -3.5584 -2.6796 -2.6548 -2.6387 -2.6298 -2.2607 -2.2529 -2.1851 -2.1743 -0.5452 -0.5141 -0.4659 -0.4120 -0.3419 -0.2017 -0.0181 0.0134 0.2354 0.2721 0.3756 0.4372 0.8021 0.8717 0.9114 0.9774 1.4160 1.5083 1.5567 1.6615 1.7173 1.7181 1.8135 1.8313 4.8237 4.8383 4.8730 4.9080 5.0506 5.0617 5.1411 5.1536 7.1220 7.1227 k =-0.3993 0.5167 0.1192 ( 9700 PWs) bands (ev): -13.8058 -13.8057 -13.7889 -13.7888 -12.6328 -12.6327 -12.5821 -12.5820 -11.3099 -11.3097 -11.2697 -11.2696 -7.9351 -7.9341 -7.9336 -7.9332 -3.5776 -3.5652 -3.5633 -3.5580 -2.6806 -2.6538 -2.6433 -2.6345 -2.2492 -2.2421 -2.1915 -2.1790 -0.5436 -0.5229 -0.4842 -0.4212 -0.3277 -0.1845 -0.0379 -0.0094 0.2662 0.3030 0.3951 0.4574 0.7778 0.8533 0.8897 0.9564 1.4235 1.5250 1.5544 1.6590 1.7265 1.7293 1.8088 1.8238 4.8233 4.8407 4.8621 4.8969 5.0660 5.0769 5.1366 5.1483 7.1237 7.1244 k =-0.3993 0.5167 0.1325 ( 9696 PWs) bands (ev): -13.8031 -13.8031 -13.7917 -13.7916 -12.6247 -12.6246 -12.5904 -12.5903 -11.3032 -11.3031 -11.2760 -11.2759 -7.9351 -7.9341 -7.9337 -7.9332 -3.5777 -3.5647 -3.5632 -3.5576 -2.6812 -2.6522 -2.6471 -2.6390 -2.2378 -2.2322 -2.1989 -2.1842 -0.5404 -0.5297 -0.5001 -0.4301 -0.3113 -0.1643 -0.0570 -0.0347 0.2946 0.3302 0.4081 0.4711 0.7596 0.8407 0.8710 0.9372 1.4300 1.5404 1.5512 1.6498 1.7404 1.7422 1.8020 1.8153 4.8250 4.8447 4.8521 4.8865 5.0794 5.0906 5.1307 5.1423 7.1257 7.1263 k =-0.3993 0.5167 0.1457 ( 9690 PWs) bands (ev): -13.8003 -13.8003 -13.7945 -13.7945 -12.6163 -12.6162 -12.5990 -12.5989 -11.2964 -11.2962 -11.2827 -11.2825 -7.9351 -7.9340 -7.9337 -7.9333 -3.5777 -3.5643 -3.5631 -3.5574 -2.6814 -2.6500 -2.6495 -2.6431 -2.2269 -2.2246 -2.2073 -2.1890 -0.5358 -0.5340 -0.5127 -0.4361 -0.2984 -0.1444 -0.0712 -0.0581 0.3157 0.3496 0.4140 0.4779 0.7489 0.8344 0.8579 0.9230 1.4346 1.5486 1.5522 1.6407 1.7533 1.7535 1.7944 1.8072 4.8286 4.8435 4.8495 4.8778 5.0896 5.1027 5.1236 5.1367 7.1277 7.1282 k =-0.3993 0.5167 0.1590 ( 9688 PWs) bands (ev): -13.7976 -13.7975 -13.7973 -13.7972 -12.6077 -12.6076 -12.6075 -12.6075 -11.2896 -11.2894 -11.2894 -11.2892 -7.9351 -7.9340 -7.9337 -7.9333 -3.5777 -3.5642 -3.5631 -3.5573 -2.6814 -2.6504 -2.6477 -2.6459 -2.2214 -2.2169 -2.2164 -2.1913 -0.5354 -0.5321 -0.5190 -0.4381 -0.2934 -0.1341 -0.0766 -0.0697 0.3238 0.3568 0.4153 0.4797 0.7454 0.8326 0.8532 0.9177 1.4362 1.5476 1.5569 1.6368 1.7581 1.7597 1.7901 1.8034 4.8319 4.8384 4.8521 4.8738 5.0936 5.1107 5.1172 5.1341 7.1288 7.1293 k =-0.3993 0.5167 0.1590 ( 9688 PWs) bands (ev): -13.7976 -13.7975 -13.7973 -13.7972 -12.6077 -12.6076 -12.6075 -12.6075 -11.2896 -11.2894 -11.2894 -11.2892 -7.9351 -7.9340 -7.9337 -7.9333 -3.5777 -3.5642 -3.5631 -3.5573 -2.6814 -2.6504 -2.6477 -2.6459 -2.2214 -2.2169 -2.2164 -2.1913 -0.5354 -0.5321 -0.5190 -0.4381 -0.2934 -0.1341 -0.0766 -0.0697 0.3238 0.3568 0.4153 0.4797 0.7454 0.8326 0.8532 0.9177 1.4362 1.5476 1.5569 1.6368 1.7581 1.7597 1.7901 1.8034 4.8319 4.8384 4.8521 4.8738 5.0936 5.1107 5.1172 5.1341 7.1288 7.1293 k =-0.4070 0.5067 0.1590 ( 9688 PWs) bands (ev): -13.7949 -13.7948 -13.7946 -13.7945 -12.6070 -12.6070 -12.6068 -12.6068 -11.2875 -11.2873 -11.2872 -11.2871 -7.9382 -7.9370 -7.9369 -7.9364 -3.5821 -3.5685 -3.5684 -3.5620 -2.6838 -2.6545 -2.6501 -2.6487 -2.2249 -2.2217 -2.2212 -2.1961 -0.5316 -0.5303 -0.5193 -0.4352 -0.2888 -0.1271 -0.0798 -0.0682 0.3207 0.3567 0.4114 0.4753 0.7291 0.8184 0.8361 0.8999 1.4182 1.5159 1.5391 1.6107 1.7597 1.7611 1.7836 1.7974 4.8302 4.8379 4.8542 4.8754 5.1008 5.1145 5.1217 5.1400 7.1433 7.1437 k =-0.4148 0.4967 0.1590 ( 9690 PWs) bands (ev): -13.7924 -13.7924 -13.7921 -13.7921 -12.6064 -12.6063 -12.6062 -12.6062 -11.2854 -11.2852 -11.2852 -11.2850 -7.9409 -7.9398 -7.9397 -7.9392 -3.5860 -3.5733 -3.5724 -3.5663 -2.6856 -2.6581 -2.6519 -2.6509 -2.2282 -2.2268 -2.2254 -2.2010 -0.5291 -0.5280 -0.5203 -0.4356 -0.2797 -0.1180 -0.0820 -0.0649 0.3177 0.3568 0.4065 0.4704 0.7138 0.8046 0.8187 0.8822 1.3997 1.4855 1.5206 1.5843 1.7607 1.7640 1.7789 1.7929 4.8294 4.8381 4.8573 4.8780 5.1065 5.1165 5.1243 5.1442 7.1566 7.1570 k =-0.4225 0.4866 0.1590 ( 9688 PWs) bands (ev): -13.7902 -13.7901 -13.7899 -13.7898 -12.6059 -12.6058 -12.6057 -12.6056 -11.2835 -11.2833 -11.2832 -11.2831 -7.9434 -7.9423 -7.9422 -7.9417 -3.5896 -3.5778 -3.5759 -3.5703 -2.6867 -2.6612 -2.6533 -2.6525 -2.2316 -2.2313 -2.2295 -2.2058 -0.5285 -0.5245 -0.5219 -0.4386 -0.2670 -0.1071 -0.0832 -0.0599 0.3149 0.3572 0.4007 0.4651 0.6997 0.7914 0.8012 0.8647 1.3814 1.4565 1.5020 1.5586 1.7619 1.7665 1.7754 1.7895 4.8295 4.8390 4.8615 4.8815 5.1107 5.1168 5.1250 5.1467 7.1687 7.1690 k =-0.4303 0.4766 0.1590 ( 9698 PWs) bands (ev): -13.7882 -13.7882 -13.7879 -13.7879 -12.6054 -12.6053 -12.6052 -12.6052 -11.2816 -11.2814 -11.2813 -11.2812 -7.9455 -7.9445 -7.9444 -7.9439 -3.5927 -3.5819 -3.5790 -3.5738 -2.6874 -2.6640 -2.6543 -2.6537 -2.2361 -2.2342 -2.2336 -2.2105 -0.5285 -0.5239 -0.5213 -0.4434 -0.2517 -0.0948 -0.0839 -0.0536 0.3125 0.3580 0.3941 0.4594 0.6869 0.7791 0.7838 0.8475 1.3637 1.4293 1.4840 1.5340 1.7631 1.7687 1.7729 1.7869 4.8306 4.8407 4.8667 4.8860 5.1137 5.1155 5.1241 5.1476 7.1795 7.1798 k =-0.4380 0.4666 0.1590 ( 9700 PWs) bands (ev): -13.7864 -13.7864 -13.7861 -13.7861 -12.6050 -12.6049 -12.6048 -12.6048 -11.2799 -11.2797 -11.2796 -11.2795 -7.9474 -7.9465 -7.9463 -7.9458 -3.5954 -3.5857 -3.5817 -3.5771 -2.6876 -2.6664 -2.6549 -2.6546 -2.2402 -2.2375 -2.2367 -2.2151 -0.5291 -0.5263 -0.5182 -0.4492 -0.2349 -0.0842 -0.0816 -0.0463 0.3106 0.3595 0.3868 0.4534 0.6757 0.7665 0.7677 0.8308 1.3470 1.4041 1.4670 1.5109 1.7640 1.7705 1.7710 1.7850 4.8326 4.8429 4.8729 4.8913 5.1128 5.1157 5.1216 5.1472 7.1892 7.1895 k =-0.4458 0.4565 0.1590 ( 9716 PWs) bands (ev): -13.7849 -13.7848 -13.7846 -13.7846 -12.6047 -12.6046 -12.6044 -12.6044 -11.2783 -11.2781 -11.2780 -11.2779 -7.9490 -7.9483 -7.9479 -7.9475 -3.5976 -3.5891 -3.5841 -3.5799 -2.6874 -2.6685 -2.6553 -2.6551 -2.2440 -2.2411 -2.2388 -2.2195 -0.5300 -0.5287 -0.5153 -0.4555 -0.2174 -0.0845 -0.0681 -0.0383 0.3093 0.3616 0.3789 0.4471 0.6663 0.7495 0.7576 0.8147 1.3319 1.3809 1.4516 1.4896 1.7648 1.7696 1.7721 1.7835 4.8353 4.8456 4.8800 4.8973 5.1089 5.1167 5.1178 5.1456 7.1977 7.1980 k =-0.4535 0.4465 0.1590 ( 9716 PWs) bands (ev): -13.7836 -13.7835 -13.7833 -13.7832 -12.6044 -12.6043 -12.6042 -12.6041 -11.2769 -11.2767 -11.2766 -11.2765 -7.9504 -7.9497 -7.9493 -7.9490 -3.5995 -3.5921 -3.5860 -3.5825 -2.6868 -2.6704 -2.6555 -2.6554 -2.2473 -2.2445 -2.2405 -2.2236 -0.5313 -0.5310 -0.5125 -0.4619 -0.1997 -0.0851 -0.0548 -0.0302 0.3087 0.3644 0.3707 0.4405 0.6587 0.7331 0.7489 0.7995 1.3186 1.3601 1.4379 1.4704 1.7653 1.7685 1.7733 1.7822 4.8386 4.8485 4.8876 4.9036 5.1041 5.1129 5.1171 5.1430 7.2050 7.2053 k =-0.4613 0.4365 0.1590 ( 9706 PWs) bands (ev): -13.7824 -13.7824 -13.7821 -13.7821 -12.6041 -12.6041 -12.6039 -12.6039 -11.2756 -11.2755 -11.2753 -11.2753 -7.9516 -7.9510 -7.9504 -7.9502 -3.6010 -3.5947 -3.5876 -3.5846 -2.6860 -2.6721 -2.6556 -2.6555 -2.2501 -2.2475 -2.2418 -2.2275 -0.5331 -0.5327 -0.5098 -0.4681 -0.1824 -0.0865 -0.0421 -0.0224 0.3089 0.3623 0.3682 0.4337 0.6531 0.7175 0.7419 0.7853 1.3075 1.3417 1.4264 1.4534 1.7656 1.7676 1.7743 1.7812 4.8422 4.8513 4.8956 4.9100 5.0989 5.1073 5.1173 5.1397 7.2112 7.2115 k =-0.4690 0.4265 0.1590 ( 9704 PWs) bands (ev): -13.7815 -13.7815 -13.7812 -13.7812 -12.6039 -12.6039 -12.6037 -12.6037 -11.2746 -11.2745 -11.2743 -11.2743 -7.9525 -7.9520 -7.9514 -7.9511 -3.6020 -3.5970 -3.5889 -3.5865 -2.6850 -2.6738 -2.6555 -2.6555 -2.2523 -2.2502 -2.2426 -2.2310 -0.5349 -0.5341 -0.5070 -0.4741 -0.1660 -0.0889 -0.0306 -0.0154 0.3100 0.3539 0.3727 0.4267 0.6498 0.7028 0.7367 0.7724 1.2986 1.3259 1.4172 1.4388 1.7657 1.7669 1.7752 1.7803 4.8459 4.8539 4.9036 4.9160 5.0937 5.1014 5.1173 5.1359 7.2163 7.2166 k =-0.4768 0.4164 0.1590 ( 9694 PWs) bands (ev): -13.7808 -13.7808 -13.7805 -13.7805 -12.6038 -12.6038 -12.6036 -12.6036 -11.2738 -11.2737 -11.2735 -11.2735 -7.9532 -7.9528 -7.9521 -7.9519 -3.6027 -3.5989 -3.5898 -3.5880 -2.6839 -2.6753 -2.6555 -2.6554 -2.2541 -2.2523 -2.2429 -2.2341 -0.5363 -0.5354 -0.5040 -0.4796 -0.1506 -0.0927 -0.0208 -0.0097 0.3120 0.3457 0.3780 0.4195 0.6487 0.6894 0.7336 0.7610 1.2924 1.3127 1.4105 1.4267 1.7657 1.7664 1.7759 1.7796 4.8495 4.8559 4.9111 4.9211 5.0891 5.0955 5.1176 5.1320 7.2203 7.2206 k =-0.4845 0.4064 0.1590 ( 9690 PWs) bands (ev): -13.7803 -13.7803 -13.7800 -13.7800 -12.6037 -12.6037 -12.6035 -12.6035 -11.2732 -11.2731 -11.2729 -11.2729 -7.9536 -7.9534 -7.9526 -7.9525 -3.6030 -3.6005 -3.5903 -3.5891 -2.6826 -2.6769 -2.6554 -2.6554 -2.2552 -2.2540 -2.2427 -2.2368 -0.5373 -0.5365 -0.5008 -0.4847 -0.1367 -0.0980 -0.0130 -0.0058 0.3152 0.3380 0.3840 0.4121 0.6499 0.6776 0.7327 0.7512 1.2888 1.3023 1.4064 1.4172 1.7657 1.7661 1.7765 1.7789 4.8527 4.8571 4.9177 4.9247 5.0857 5.0903 5.1184 5.1282 7.2232 7.2235 k =-0.4923 0.3964 0.1590 ( 9684 PWs) bands (ev): -13.7800 -13.7800 -13.7797 -13.7797 -12.6036 -12.6036 -12.6034 -12.6034 -11.2728 -11.2728 -11.2726 -11.2725 -7.9539 -7.9538 -7.9529 -7.9528 -3.6029 -3.6017 -3.5905 -3.5899 -2.6812 -2.6783 -2.6553 -2.6553 -2.2558 -2.2552 -2.2420 -2.2390 -0.5378 -0.5373 -0.4974 -0.4894 -0.1244 -0.1050 -0.0075 -0.0040 0.3194 0.3309 0.3906 0.4048 0.6535 0.6675 0.7340 0.7434 1.2879 1.2947 1.4050 1.4104 1.7657 1.7658 1.7771 1.7782 4.8552 4.8575 4.9227 4.9264 5.0839 5.0863 5.1199 5.1248 7.2250 7.2253 k =-0.5000 0.3863 0.1590 ( 9692 PWs) bands (ev): -13.7799 -13.7799 -13.7796 -13.7796 -12.6036 -12.6036 -12.6034 -12.6034 -11.2727 -11.2727 -11.2724 -11.2724 -7.9539 -7.9539 -7.9529 -7.9529 -3.6025 -3.6025 -3.5904 -3.5904 -2.6798 -2.6798 -2.6553 -2.6553 -2.2558 -2.2558 -2.2407 -2.2407 -0.5378 -0.5378 -0.4936 -0.4936 -0.1138 -0.1138 -0.0045 -0.0045 0.3247 0.3247 0.3975 0.3975 0.6594 0.6594 0.7376 0.7376 1.2899 1.2899 1.4063 1.4063 1.7657 1.7657 1.7776 1.7776 4.8568 4.8568 4.9257 4.9257 5.0841 5.0841 5.1220 5.1220 7.2258 7.2258 k =-0.5000 0.3863 0.1590 ( 9692 PWs) bands (ev): -13.7799 -13.7799 -13.7796 -13.7796 -12.6036 -12.6036 -12.6034 -12.6034 -11.2727 -11.2727 -11.2724 -11.2724 -7.9539 -7.9539 -7.9529 -7.9529 -3.6025 -3.6025 -3.5904 -3.5904 -2.6798 -2.6798 -2.6553 -2.6553 -2.2558 -2.2558 -2.2407 -2.2407 -0.5378 -0.5378 -0.4936 -0.4936 -0.1138 -0.1138 -0.0045 -0.0045 0.3247 0.3247 0.3975 0.3975 0.6594 0.6594 0.7376 0.7376 1.2899 1.2899 1.4063 1.4063 1.7657 1.7657 1.7776 1.7776 4.8568 4.8568 4.9257 4.9257 5.0841 5.0841 5.1220 5.1220 7.2258 7.2258 k =-0.5000 0.3863 0.1457 ( 9698 PWs) bands (ev): -13.7837 -13.7836 -13.7759 -13.7758 -12.6150 -12.6149 -12.5920 -12.5919 -11.2820 -11.2818 -11.2635 -11.2633 -7.9548 -7.9538 -7.9530 -7.9521 -3.6041 -3.6007 -3.5923 -3.5886 -2.6866 -2.6726 -2.6615 -2.6490 -2.2728 -2.2573 -2.2388 -2.2244 -0.5540 -0.5189 -0.5034 -0.4812 -0.1506 -0.0765 -0.0340 0.0248 0.2996 0.3406 0.3717 0.4135 0.6570 0.6699 0.7343 0.7476 1.2793 1.3036 1.3903 1.4244 1.7520 1.7632 1.7760 1.7892 4.8369 4.8767 4.9055 4.9444 5.0517 5.0894 5.1174 5.1545 7.2216 7.2218 k =-0.5000 0.3863 0.1325 ( 9704 PWs) bands (ev): -13.7874 -13.7873 -13.7720 -13.7719 -12.6262 -12.6261 -12.5806 -12.5805 -11.2912 -11.2910 -11.2546 -11.2544 -7.9556 -7.9546 -7.9522 -7.9513 -3.6056 -3.5989 -3.5943 -3.5869 -2.6927 -2.6676 -2.6650 -2.6427 -2.2895 -2.2738 -2.2220 -2.2085 -0.5677 -0.5108 -0.4976 -0.4664 -0.1855 -0.0622 -0.0400 0.0519 0.2697 0.3397 0.3445 0.4166 0.6640 0.6861 0.7404 0.7611 1.2720 1.3203 1.3765 1.4442 1.7350 1.7463 1.7827 1.7977 4.8174 4.8842 4.8961 4.9612 5.0209 5.0574 5.1508 5.1864 7.2177 7.2180 k =-0.5000 0.3863 0.1192 ( 9694 PWs) bands (ev): -13.7910 -13.7909 -13.7682 -13.7681 -12.6370 -12.6368 -12.5695 -12.5694 -11.3003 -11.3001 -11.2461 -11.2459 -7.9564 -7.9555 -7.9514 -7.9505 -3.6070 -3.5970 -3.5962 -3.5853 -2.6982 -2.6733 -2.6574 -2.6366 -2.3058 -2.2901 -2.2058 -2.1933 -0.5788 -0.5162 -0.4741 -0.4494 -0.2173 -0.0883 -0.0057 0.0732 0.2405 0.3053 0.3368 0.4068 0.6789 0.7068 0.7558 0.7755 1.2678 1.3398 1.3652 1.4656 1.7150 1.7271 1.7857 1.8030 4.7986 4.8622 4.9147 4.9731 4.9951 5.0265 5.1837 5.2172 7.2144 7.2148 k =-0.5000 0.3863 0.1060 ( 9716 PWs) bands (ev): -13.7944 -13.7943 -13.7645 -13.7644 -12.6471 -12.6470 -12.5589 -12.5588 -11.3090 -11.3088 -11.2382 -11.2380 -7.9571 -7.9562 -7.9506 -7.9498 -3.6081 -3.5982 -3.5951 -3.5840 -2.7027 -2.6786 -2.6499 -2.6309 -2.3211 -2.3059 -2.1904 -2.1790 -0.5875 -0.5203 -0.4486 -0.4309 -0.2443 -0.1113 0.0240 0.0820 0.2199 0.2715 0.3200 0.3867 0.6978 0.7314 0.7766 0.7906 1.2670 1.3566 1.3615 1.4880 1.6925 1.7064 1.7851 1.8051 4.7810 4.8401 4.9317 4.9599 4.9948 4.9979 5.2154 5.2462 7.2116 7.2122 k =-0.5000 0.3863 0.0927 ( 9708 PWs) bands (ev): -13.7974 -13.7974 -13.7611 -13.7610 -12.6564 -12.6563 -12.5490 -12.5489 -11.3172 -11.3170 -11.2309 -11.2307 -7.9578 -7.9570 -7.9499 -7.9491 -3.6091 -3.6001 -3.5931 -3.5829 -2.7064 -2.6836 -2.6426 -2.6256 -2.3354 -2.3208 -2.1761 -2.1659 -0.5939 -0.5241 -0.4218 -0.4116 -0.2646 -0.1308 0.0461 0.0718 0.2141 0.2418 0.2986 0.3604 0.7167 0.7595 0.7930 0.8116 1.2698 1.3509 1.3844 1.5103 1.6684 1.6849 1.7810 1.8039 4.7649 4.8185 4.9366 4.9438 4.9749 5.0051 5.2453 5.2730 7.2094 7.2100 k =-0.5000 0.3863 0.0795 ( 9704 PWs) bands (ev): -13.8002 -13.8001 -13.7580 -13.7579 -12.6648 -12.6647 -12.5400 -12.5399 -11.3246 -11.3245 -11.2243 -11.2242 -7.9583 -7.9577 -7.9492 -7.9485 -3.6099 -3.6019 -3.5913 -3.5820 -2.7091 -2.6882 -2.6357 -2.6209 -2.3482 -2.3347 -2.1629 -2.1540 -0.5982 -0.5287 -0.3943 -0.3926 -0.2763 -0.1464 0.0469 0.0560 0.2159 0.2199 0.2790 0.3323 0.7341 0.7894 0.8025 0.8375 1.2763 1.3483 1.4073 1.5308 1.6446 1.6637 1.7735 1.7995 4.7507 4.7978 4.9153 4.9359 4.9730 5.0143 5.2728 5.2971 7.2076 7.2082 k =-0.5000 0.3863 0.0662 ( 9706 PWs) bands (ev): -13.8026 -13.8025 -13.7552 -13.7551 -12.6722 -12.6721 -12.5320 -12.5319 -11.3313 -11.3312 -11.2186 -11.2185 -7.9589 -7.9583 -7.9486 -7.9480 -3.6104 -3.6036 -3.5895 -3.5814 -2.7109 -2.6924 -2.6294 -2.6169 -2.3594 -2.3473 -2.1512 -2.1437 -0.6005 -0.5351 -0.3746 -0.3670 -0.2783 -0.1586 0.0168 0.0514 0.2058 0.2081 0.2725 0.3077 0.7496 0.8082 0.8190 0.8625 1.2871 1.3491 1.4281 1.5436 1.6267 1.6450 1.7629 1.7920 4.7387 4.7787 4.8969 4.9162 4.9842 5.0216 5.2974 5.3179 7.2063 7.2069 k =-0.5000 0.3863 0.0530 ( 9710 PWs) bands (ev): -13.8046 -13.8045 -13.7528 -13.7527 -12.6784 -12.6783 -12.5252 -12.5252 -11.3369 -11.3368 -11.2139 -11.2138 -7.9593 -7.9588 -7.9481 -7.9476 -3.6107 -3.6052 -3.5877 -3.5811 -2.7118 -2.6962 -2.6239 -2.6137 -2.3685 -2.3583 -2.1412 -2.1352 -0.6009 -0.5437 -0.3574 -0.3413 -0.2716 -0.1685 -0.0117 0.0354 0.1872 0.1922 0.2795 0.2932 0.7633 0.8112 0.8464 0.8837 1.3023 1.3534 1.4438 1.5383 1.6252 1.6315 1.7495 1.7815 4.7293 4.7616 4.8818 4.8977 4.9959 5.0268 5.3186 5.3352 7.2054 7.2059 k =-0.5000 0.3863 0.0397 ( 9698 PWs) bands (ev): -13.8062 -13.8061 -13.7509 -13.7509 -12.6833 -12.6833 -12.5198 -12.5198 -11.3414 -11.3414 -11.2101 -11.2100 -7.9596 -7.9592 -7.9477 -7.9473 -3.6108 -3.6066 -3.5862 -3.5811 -2.7118 -2.6996 -2.6192 -2.6115 -2.3756 -2.3675 -2.1330 -2.1285 -0.5995 -0.5539 -0.3402 -0.3188 -0.2594 -0.1785 -0.0336 0.0147 0.1636 0.1733 0.2895 0.2905 0.7753 0.8118 0.8702 0.8998 1.3216 1.3610 1.4513 1.5162 1.6265 1.6387 1.7344 1.7684 4.7226 4.7470 4.8701 4.8822 5.0062 5.0299 5.3360 5.3486 7.2047 7.2051 k =-0.5000 0.3863 0.0265 ( 9698 PWs) bands (ev): -13.8073 -13.8073 -13.7495 -13.7495 -12.6869 -12.6868 -12.5158 -12.5158 -11.3448 -11.3447 -11.2074 -11.2073 -7.9598 -7.9595 -7.9473 -7.9471 -3.6106 -3.6078 -3.5848 -3.5813 -2.7111 -2.7027 -2.6154 -2.6102 -2.3803 -2.3747 -2.1269 -2.1238 -0.5961 -0.5645 -0.3225 -0.3017 -0.2456 -0.1910 -0.0451 -0.0061 0.1434 0.1525 0.2946 0.2975 0.7856 0.8102 0.8894 0.9099 1.3441 1.3709 1.4497 1.4882 1.6315 1.6557 1.7195 1.7531 4.7188 4.7352 4.8622 4.8703 5.0150 5.0310 5.3493 5.3577 7.2043 7.2046 k =-0.5000 0.3863 0.0132 ( 9694 PWs) bands (ev): -13.8080 -13.8080 -13.7487 -13.7486 -12.6890 -12.6890 -12.5134 -12.5134 -11.3468 -11.3467 -11.2057 -11.2057 -7.9599 -7.9598 -7.9471 -7.9470 -3.6102 -3.6088 -3.5836 -3.5818 -2.7097 -2.7055 -2.6126 -2.6100 -2.3825 -2.3797 -2.1228 -2.1213 -0.5908 -0.5747 -0.3060 -0.2928 -0.2325 -0.2057 -0.0456 -0.0241 0.1306 0.1359 0.2996 0.3020 0.7942 0.8066 0.9033 0.9138 1.3668 1.3805 1.4437 1.4612 1.6438 1.6654 1.7118 1.7363 4.7182 4.7264 4.8582 4.8623 5.0219 5.0300 5.3582 5.3624 7.2042 7.2043 k =-0.5000 0.3863 0.0000 ( 9682 PWs) bands (ev): -13.8082 -13.8082 -13.7484 -13.7484 -12.6898 -12.6898 -12.5126 -12.5126 -11.3474 -11.3474 -11.2051 -11.2051 -7.9599 -7.9599 -7.9470 -7.9470 -3.6096 -3.6096 -3.5826 -3.5826 -2.7078 -2.7078 -2.6108 -2.6108 -2.3823 -2.3823 -2.1209 -2.1209 -0.5836 -0.5836 -0.2946 -0.2946 -0.2198 -0.2198 -0.0378 -0.0378 0.1278 0.1278 0.3026 0.3026 0.8013 0.8013 0.9116 0.9116 1.3818 1.3818 1.4440 1.4440 1.6583 1.6583 1.7202 1.7202 4.7207 4.7207 4.8582 4.8582 5.0269 5.0269 5.3626 5.3626 7.2041 7.2041 k = 0.0000 0.0000 0.1590 ( 9682 PWs) bands (ev): -14.0705 -14.0705 -14.0702 -14.0702 -12.7333 -12.7333 -12.7330 -12.7330 -11.2449 -11.2449 -11.2447 -11.2447 -7.4960 -7.4960 -7.4941 -7.4941 -3.1822 -3.1822 -3.1616 -3.1616 -1.9436 -1.9436 -1.9028 -1.9028 -1.5806 -1.5806 -1.5701 -1.5701 -0.3967 -0.3967 -0.3637 -0.3637 -0.1266 -0.1266 -0.0705 -0.0705 0.5520 0.5520 0.5605 0.5605 0.9088 0.9088 0.9097 0.9097 1.3432 1.3432 1.3697 1.3697 1.9547 1.9547 1.9933 1.9933 4.2752 4.2752 4.3087 4.3087 4.4390 4.4390 4.4989 4.4989 5.9554 5.9554 k =-0.0106 0.0082 0.1590 ( 9686 PWs) bands (ev): -14.0702 -14.0702 -14.0699 -14.0699 -12.7332 -12.7332 -12.7328 -12.7328 -11.2449 -11.2449 -11.2447 -11.2447 -7.4965 -7.4965 -7.4947 -7.4946 -3.1826 -3.1826 -3.1621 -3.1621 -1.9451 -1.9451 -1.9040 -1.9040 -1.5822 -1.5821 -1.5715 -1.5714 -0.3977 -0.3976 -0.3611 -0.3611 -0.1264 -0.1263 -0.0688 -0.0687 0.5506 0.5507 0.5617 0.5617 0.8984 0.8985 0.9175 0.9176 1.3417 1.3418 1.3723 1.3723 1.9541 1.9541 1.9929 1.9929 4.2758 4.2758 4.3093 4.3093 4.4393 4.4394 4.4992 4.4993 5.9570 5.9572 k =-0.0213 0.0164 0.1590 ( 9670 PWs) bands (ev): -14.0693 -14.0693 -14.0690 -14.0690 -12.7327 -12.7327 -12.7324 -12.7324 -11.2450 -11.2450 -11.2448 -11.2448 -7.4981 -7.4980 -7.4962 -7.4961 -3.1840 -3.1840 -3.1635 -3.1635 -1.9493 -1.9493 -1.9078 -1.9077 -1.5868 -1.5867 -1.5754 -1.5753 -0.3996 -0.3995 -0.3541 -0.3540 -0.1254 -0.1253 -0.0637 -0.0636 0.5477 0.5478 0.5643 0.5644 0.8851 0.8852 0.9230 0.9231 1.3386 1.3386 1.3787 1.3788 1.9522 1.9522 1.9917 1.9917 4.2776 4.2776 4.3111 4.3111 4.4404 4.4404 4.5004 4.5004 5.9620 5.9622 k =-0.0319 0.0247 0.1590 ( 9672 PWs) bands (ev): -14.0678 -14.0678 -14.0675 -14.0675 -12.7320 -12.7320 -12.7317 -12.7317 -11.2452 -11.2452 -11.2449 -11.2449 -7.5006 -7.5005 -7.4987 -7.4986 -3.1863 -3.1863 -3.1658 -3.1657 -1.9563 -1.9563 -1.9139 -1.9139 -1.5942 -1.5941 -1.5819 -1.5818 -0.4012 -0.4011 -0.3442 -0.3441 -0.1235 -0.1234 -0.0556 -0.0555 0.5441 0.5442 0.5675 0.5676 0.8696 0.8697 0.9258 0.9259 1.3356 1.3357 1.3870 1.3871 1.9491 1.9491 1.9896 1.9897 4.2807 4.2807 4.3140 4.3141 4.4422 4.4423 4.5022 4.5022 5.9704 5.9706 k =-0.0426 0.0329 0.1590 ( 9686 PWs) bands (ev): -14.0658 -14.0657 -14.0654 -14.0654 -12.7310 -12.7310 -12.7307 -12.7306 -11.2454 -11.2454 -11.2451 -11.2451 -7.5042 -7.5041 -7.5023 -7.5021 -3.1895 -3.1895 -3.1690 -3.1689 -1.9659 -1.9659 -1.9225 -1.9225 -1.6044 -1.6043 -1.5908 -1.5907 -0.4019 -0.4018 -0.3324 -0.3323 -0.1204 -0.1203 -0.0451 -0.0449 0.5400 0.5401 0.5711 0.5712 0.8523 0.8524 0.9259 0.9260 1.3335 1.3336 1.3962 1.3963 1.9448 1.9449 1.9868 1.9868 4.2850 4.2850 4.3183 4.3183 4.4448 4.4448 4.5048 4.5049 5.9821 5.9824 k =-0.0532 0.0411 0.1590 ( 9672 PWs) bands (ev): -14.0631 -14.0630 -14.0628 -14.0627 -12.7297 -12.7296 -12.7294 -12.7293 -11.2456 -11.2456 -11.2454 -11.2454 -7.5088 -7.5087 -7.5068 -7.5066 -3.1936 -3.1935 -3.1730 -3.1730 -1.9780 -1.9779 -1.9334 -1.9334 -1.6170 -1.6169 -1.6021 -1.6020 -0.4014 -0.4013 -0.3194 -0.3193 -0.1159 -0.1157 -0.0325 -0.0323 0.5354 0.5355 0.5751 0.5752 0.8332 0.8334 0.9237 0.9238 1.3325 1.3326 1.4056 1.4057 1.9394 1.9395 1.9832 1.9832 4.2905 4.2905 4.3238 4.3238 4.4480 4.4480 4.5082 4.5082 5.9972 5.9974 k =-0.0638 0.0493 0.1590 ( 9674 PWs) bands (ev): -14.0599 -14.0598 -14.0595 -14.0595 -12.7281 -12.7281 -12.7278 -12.7277 -11.2460 -11.2459 -11.2457 -11.2457 -7.5143 -7.5142 -7.5122 -7.5121 -3.1985 -3.1985 -3.1780 -3.1780 -1.9922 -1.9921 -1.9466 -1.9465 -1.6319 -1.6318 -1.6157 -1.6156 -0.3997 -0.3996 -0.3057 -0.3056 -0.1099 -0.1098 -0.0183 -0.0182 0.5301 0.5302 0.5795 0.5796 0.8129 0.8130 0.9195 0.9196 1.3327 1.3328 1.4149 1.4150 1.9329 1.9330 1.9788 1.9789 4.2974 4.2974 4.3306 4.3306 4.4520 4.4520 4.5124 4.5124 6.0155 6.0157 k =-0.0745 0.0575 0.1590 ( 9680 PWs) bands (ev): -14.0561 -14.0560 -14.0557 -14.0556 -12.7263 -12.7262 -12.7259 -12.7259 -11.2463 -11.2463 -11.2461 -11.2460 -7.5208 -7.5207 -7.5186 -7.5185 -3.2043 -3.2042 -3.1838 -3.1838 -2.0085 -2.0084 -1.9618 -1.9617 -1.6487 -1.6486 -1.6312 -1.6311 -0.3970 -0.3969 -0.2918 -0.2917 -0.1025 -0.1023 -0.0031 -0.0029 0.5241 0.5242 0.5843 0.5844 0.7914 0.7915 0.9138 0.9139 1.3337 1.3339 1.4238 1.4240 1.9255 1.9256 1.9737 1.9738 4.3056 4.3056 4.3387 4.3387 4.4567 4.4567 4.5173 4.5174 6.0368 6.0371 k =-0.0851 0.0658 0.1590 ( 9662 PWs) bands (ev): -14.0517 -14.0516 -14.0514 -14.0513 -12.7241 -12.7241 -12.7238 -12.7238 -11.2468 -11.2467 -11.2465 -11.2465 -7.5282 -7.5280 -7.5259 -7.5257 -3.2109 -3.2108 -3.1904 -3.1904 -2.0266 -2.0265 -1.9790 -1.9789 -1.6672 -1.6671 -1.6484 -1.6483 -0.3935 -0.3933 -0.2782 -0.2781 -0.0936 -0.0935 0.0130 0.0131 0.5173 0.5174 0.5897 0.5898 0.7693 0.7694 0.9071 0.9072 1.3355 1.3356 1.4321 1.4322 1.9171 1.9172 1.9679 1.9681 4.3152 4.3152 4.3483 4.3483 4.4621 4.4621 4.5231 4.5231 6.0611 6.0614 k =-0.0957 0.0740 0.1590 ( 9664 PWs) bands (ev): -14.0468 -14.0467 -14.0465 -14.0464 -12.7218 -12.7217 -12.7215 -12.7214 -11.2472 -11.2472 -11.2470 -11.2469 -7.5365 -7.5363 -7.5341 -7.5339 -3.2183 -3.2182 -3.1979 -3.1978 -2.0463 -2.0462 -1.9979 -1.9978 -1.6872 -1.6871 -1.6672 -1.6671 -0.3892 -0.3891 -0.2651 -0.2650 -0.0836 -0.0835 0.0293 0.0295 0.5096 0.5097 0.5953 0.5954 0.7469 0.7470 0.8999 0.9000 1.3377 1.3378 1.4395 1.4397 1.9079 1.9081 1.9615 1.9617 4.3261 4.3262 4.3593 4.3593 4.4682 4.4683 4.5297 4.5297 6.0882 6.0885 k =-0.1064 0.0822 0.1590 ( 9662 PWs) bands (ev): -14.0414 -14.0413 -14.0411 -14.0410 -12.7192 -12.7191 -12.7188 -12.7188 -11.2478 -11.2477 -11.2475 -11.2475 -7.5456 -7.5454 -7.5431 -7.5429 -3.2264 -3.2264 -3.2061 -3.2060 -2.0674 -2.0673 -2.0184 -2.0183 -1.7085 -1.7084 -1.6873 -1.6872 -0.3846 -0.3844 -0.2530 -0.2529 -0.0726 -0.0725 0.0456 0.0457 0.5008 0.5009 0.6010 0.6011 0.7249 0.7250 0.8929 0.8930 1.3400 1.3402 1.4460 1.4462 1.8980 1.8982 1.9546 1.9547 4.3385 4.3386 4.3718 4.3718 4.4751 4.4752 4.5371 4.5371 6.1179 6.1181 k =-0.1170 0.0904 0.1590 ( 9658 PWs) bands (ev): -14.0355 -14.0354 -14.0352 -14.0351 -12.7163 -12.7163 -12.7160 -12.7159 -11.2483 -11.2483 -11.2481 -11.2480 -7.5555 -7.5553 -7.5529 -7.5527 -3.2353 -3.2352 -3.2150 -3.2150 -2.0896 -2.0895 -2.0403 -2.0402 -1.7307 -1.7306 -1.7084 -1.7083 -0.3797 -0.3795 -0.2420 -0.2418 -0.0610 -0.0609 0.0614 0.0616 0.4909 0.4910 0.6058 0.6059 0.7045 0.7046 0.8864 0.8865 1.3424 1.3426 1.4514 1.4516 1.8875 1.8876 1.9471 1.9472 4.3524 4.3524 4.3857 4.3858 4.4827 4.4828 4.5453 4.5453 6.1499 6.1502 k =-0.1277 0.0986 0.1590 ( 9662 PWs) bands (ev): -14.0292 -14.0290 -14.0288 -14.0287 -12.7133 -12.7132 -12.7130 -12.7129 -11.2490 -11.2489 -11.2487 -11.2486 -7.5662 -7.5660 -7.5635 -7.5633 -3.2448 -3.2448 -3.2247 -3.2246 -2.1128 -2.1127 -2.0634 -2.0633 -1.7537 -1.7536 -1.7304 -1.7303 -0.3747 -0.3746 -0.2322 -0.2321 -0.0492 -0.0490 0.0766 0.0767 0.4798 0.4799 0.6072 0.6073 0.6883 0.6884 0.8809 0.8810 1.3447 1.3448 1.4556 1.4558 1.8764 1.8765 1.9391 1.9392 4.3677 4.3677 4.4012 4.4013 4.4911 4.4912 4.5543 4.5544 6.1840 6.1843 k =-0.1383 0.1069 0.1590 ( 9660 PWs) bands (ev): -14.0223 -14.0222 -14.0220 -14.0219 -12.7100 -12.7100 -12.7097 -12.7096 -11.2496 -11.2496 -11.2494 -11.2493 -7.5775 -7.5773 -7.5748 -7.5746 -3.2550 -3.2550 -3.2350 -3.2349 -2.1368 -2.1367 -2.0875 -2.0874 -1.7772 -1.7772 -1.7529 -1.7529 -0.3699 -0.3698 -0.2238 -0.2237 -0.0376 -0.0374 0.0907 0.0908 0.4675 0.4676 0.6017 0.6018 0.6803 0.6804 0.8767 0.8768 1.3467 1.3468 1.4587 1.4588 1.8648 1.8650 1.9306 1.9308 4.3844 4.3845 4.4182 4.4182 4.5002 4.5003 4.5642 4.5642 6.2201 6.2203 k =-0.1489 0.1151 0.1590 ( 9666 PWs) bands (ev): -14.0151 -14.0150 -14.0148 -14.0146 -12.7066 -12.7065 -12.7063 -12.7062 -11.2503 -11.2503 -11.2501 -11.2500 -7.5895 -7.5893 -7.5867 -7.5865 -3.2658 -3.2658 -3.2459 -3.2458 -2.1614 -2.1612 -2.1123 -2.1122 -1.8012 -1.8011 -1.7760 -1.7759 -0.3654 -0.3653 -0.2168 -0.2167 -0.0267 -0.0265 0.1036 0.1037 0.4541 0.4542 0.5878 0.5879 0.6819 0.6820 0.8739 0.8740 1.3483 1.3485 1.4606 1.4607 1.8529 1.8531 1.9218 1.9219 4.4026 4.4027 4.4366 4.4366 4.5102 4.5103 4.5748 4.5749 6.2577 6.2580 k =-0.1596 0.1233 0.1590 ( 9666 PWs) bands (ev): -14.0075 -14.0073 -14.0071 -14.0070 -12.7030 -12.7029 -12.7026 -12.7026 -11.2511 -11.2510 -11.2508 -11.2507 -7.6022 -7.6019 -7.5993 -7.5991 -3.2772 -3.2771 -3.2574 -3.2573 -2.1864 -2.1862 -2.1378 -2.1377 -1.8253 -1.8252 -1.7993 -1.7992 -0.3614 -0.3613 -0.2111 -0.2110 -0.0169 -0.0168 0.1151 0.1152 0.4397 0.4398 0.5685 0.5685 0.6903 0.6904 0.8727 0.8728 1.3497 1.3499 1.4613 1.4615 1.8407 1.8409 1.9125 1.9127 4.4222 4.4223 4.4563 4.4564 4.5211 4.5212 4.5862 4.5863 6.2967 6.2970 k =-0.1702 0.1315 0.1590 ( 9672 PWs) bands (ev): -13.9994 -13.9993 -13.9991 -13.9990 -12.6992 -12.6991 -12.6989 -12.6988 -11.2518 -11.2518 -11.2516 -11.2515 -7.6153 -7.6151 -7.6124 -7.6122 -3.2891 -3.2890 -3.2694 -3.2693 -2.2116 -2.2115 -2.1637 -2.1636 -1.8495 -1.8494 -1.8227 -1.8226 -0.3580 -0.3579 -0.2068 -0.2067 -0.0087 -0.0085 0.1251 0.1253 0.4246 0.4247 0.5466 0.5467 0.7025 0.7027 0.8730 0.8731 1.3509 1.3510 1.4611 1.4612 1.8283 1.8284 1.9030 1.9031 4.4431 4.4432 4.4772 4.4773 4.5329 4.5330 4.5983 4.5984 6.3368 6.3371 k =-0.1809 0.1397 0.1590 ( 9670 PWs) bands (ev): -13.9911 -13.9910 -13.9908 -13.9906 -12.6953 -12.6952 -12.6950 -12.6949 -11.2526 -11.2526 -11.2524 -11.2523 -7.6290 -7.6287 -7.6260 -7.6258 -3.3014 -3.3013 -3.2819 -3.2818 -2.2370 -2.2369 -2.1898 -2.1897 -1.8737 -1.8735 -1.8461 -1.8460 -0.3553 -0.3552 -0.2039 -0.2037 -0.0023 -0.0022 0.1337 0.1338 0.4089 0.4090 0.5239 0.5240 0.7169 0.7170 0.8745 0.8746 1.3519 1.3520 1.4600 1.4601 1.8156 1.8158 1.8930 1.8932 4.4654 4.4655 4.4991 4.4992 4.5458 4.5459 4.6111 4.6112 6.3777 6.3780 k =-0.1915 0.1480 0.1590 ( 9646 PWs) bands (ev): -13.9825 -13.9823 -13.9821 -13.9820 -12.6913 -12.6912 -12.6909 -12.6908 -11.2535 -11.2534 -11.2532 -11.2531 -7.6430 -7.6428 -7.6401 -7.6398 -3.3141 -3.3140 -3.2948 -3.2947 -2.2624 -2.2622 -2.2160 -2.2159 -1.8976 -1.8974 -1.8694 -1.8693 -0.3535 -0.3533 -0.2022 -0.2021 0.0020 0.0021 0.1406 0.1408 0.3931 0.3933 0.5012 0.5012 0.7324 0.7325 0.8771 0.8772 1.3528 1.3530 1.4582 1.4584 1.8029 1.8031 1.8828 1.8830 4.4888 4.4889 4.5215 4.5216 4.5602 4.5603 4.6245 4.6246 6.4194 6.4196 k =-0.2021 0.1562 0.1590 ( 9638 PWs) bands (ev): -13.9735 -13.9734 -13.9732 -13.9730 -12.6872 -12.6871 -12.6868 -12.6867 -11.2543 -11.2543 -11.2541 -11.2540 -7.6575 -7.6572 -7.6545 -7.6542 -3.3272 -3.3271 -3.3081 -3.3080 -2.2876 -2.2875 -2.2422 -2.2420 -1.9211 -1.9210 -1.8924 -1.8922 -0.3525 -0.3523 -0.2019 -0.2017 0.0040 0.0042 0.1460 0.1461 0.3776 0.3777 0.4789 0.4790 0.7484 0.7486 0.8803 0.8804 1.3539 1.3541 1.4562 1.4563 1.7900 1.7902 1.8723 1.8725 4.5132 4.5133 4.5436 4.5438 4.5766 4.5767 4.6386 4.6386 6.4614 6.4617 k =-0.2128 0.1644 0.1590 ( 9636 PWs) bands (ev): -13.9644 -13.9642 -13.9641 -13.9639 -12.6830 -12.6829 -12.6826 -12.6825 -11.2552 -11.2552 -11.2550 -11.2549 -7.6722 -7.6719 -7.6692 -7.6689 -3.3406 -3.3405 -3.3218 -3.3217 -2.3125 -2.3124 -2.2681 -2.2680 -1.9443 -1.9441 -1.9150 -1.9149 -0.3524 -0.3523 -0.2029 -0.2027 0.0039 0.0040 0.1497 0.1498 0.3626 0.3627 0.4574 0.4575 0.7644 0.7645 0.8837 0.8838 1.3553 1.3554 1.4540 1.4542 1.7770 1.7772 1.8615 1.8617 4.5384 4.5385 4.5648 4.5649 4.5959 4.5960 4.6531 4.6532 6.5038 6.5041 k =-0.2234 0.1726 0.1590 ( 9640 PWs) bands (ev): -13.9551 -13.9549 -13.9547 -13.9546 -12.6787 -12.6786 -12.6783 -12.6782 -11.2561 -11.2561 -11.2559 -11.2558 -7.6871 -7.6869 -7.6841 -7.6839 -3.3542 -3.3541 -3.3356 -3.3355 -2.3371 -2.3370 -2.2938 -2.2937 -1.9669 -1.9667 -1.9372 -1.9371 -0.3534 -0.3533 -0.2052 -0.2051 0.0016 0.0018 0.1517 0.1518 0.3485 0.3486 0.4370 0.4371 0.7797 0.7798 0.8869 0.8870 1.3569 1.3571 1.4523 1.4524 1.7640 1.7641 1.8505 1.8507 4.5639 4.5640 4.5846 4.5847 4.6183 4.6185 4.6682 4.6683 6.5463 6.5465 k =-0.2340 0.1808 0.1590 ( 9630 PWs) bands (ev): -13.9456 -13.9454 -13.9452 -13.9451 -12.6744 -12.6743 -12.6740 -12.6739 -11.2570 -11.2570 -11.2568 -11.2567 -7.7023 -7.7020 -7.6993 -7.6990 -3.3680 -3.3679 -3.3497 -3.3496 -2.3613 -2.3611 -2.3190 -2.3189 -1.9889 -1.9888 -1.9589 -1.9587 -0.3554 -0.3552 -0.2090 -0.2089 -0.0025 -0.0024 0.1517 0.1519 0.3358 0.3359 0.4178 0.4179 0.7940 0.7941 0.8895 0.8895 1.3590 1.3591 1.4512 1.4513 1.7509 1.7511 1.8393 1.8395 4.5884 4.5885 4.6047 4.6048 4.6433 4.6434 4.6838 4.6839 6.5886 6.5889 k =-0.2447 0.1891 0.1590 ( 9634 PWs) bands (ev): -13.9360 -13.9358 -13.9356 -13.9355 -12.6700 -12.6699 -12.6697 -12.6695 -11.2580 -11.2579 -11.2577 -11.2576 -7.7175 -7.7173 -7.7145 -7.7143 -3.3819 -3.3818 -3.3639 -3.3638 -2.3849 -2.3847 -2.3437 -2.3436 -2.0102 -2.0101 -1.9800 -1.9798 -0.3584 -0.3583 -0.2142 -0.2141 -0.0082 -0.0081 0.1499 0.1500 0.3247 0.3248 0.4002 0.4003 0.8068 0.8069 0.8911 0.8911 1.3614 1.3615 1.4513 1.4514 1.7378 1.7380 1.8280 1.8282 4.6097 4.6098 4.6276 4.6278 4.6697 4.6698 4.6999 4.7000 6.6307 6.6310 k =-0.2553 0.1973 0.1590 ( 9642 PWs) bands (ev): -13.9263 -13.9261 -13.9259 -13.9258 -12.6657 -12.6656 -12.6653 -12.6652 -11.2589 -11.2588 -11.2586 -11.2585 -7.7328 -7.7325 -7.7298 -7.7296 -3.3959 -3.3958 -3.3782 -3.3781 -2.4078 -2.4077 -2.3678 -2.3677 -2.0308 -2.0307 -2.0004 -2.0003 -0.3625 -0.3623 -0.2209 -0.2208 -0.0152 -0.0151 0.1461 0.1462 0.3155 0.3156 0.3842 0.3842 0.8177 0.8178 0.8914 0.8915 1.3640 1.3641 1.4530 1.4531 1.7248 1.7250 1.8168 1.8170 4.6279 4.6279 4.6537 4.6538 4.6963 4.6964 4.7171 4.7172 6.6724 6.6727 k =-0.2660 0.2055 0.1590 ( 9650 PWs) bands (ev): -13.9166 -13.9164 -13.9162 -13.9161 -12.6613 -12.6612 -12.6610 -12.6609 -11.2598 -11.2598 -11.2596 -11.2595 -7.7480 -7.7478 -7.7451 -7.7449 -3.4099 -3.4098 -3.3925 -3.3924 -2.4301 -2.4300 -2.3912 -2.3911 -2.0507 -2.0505 -2.0202 -2.0200 -0.3676 -0.3674 -0.2293 -0.2292 -0.0230 -0.0229 0.1404 0.1405 0.3083 0.3084 0.3698 0.3699 0.8265 0.8265 0.8903 0.8904 1.3665 1.3666 1.4564 1.4565 1.7120 1.7121 1.8057 1.8059 4.6446 4.6447 4.6810 4.6811 4.7213 4.7214 4.7369 4.7369 6.7135 6.7138 k =-0.2766 0.2137 0.1590 ( 9654 PWs) bands (ev): -13.9069 -13.9067 -13.9065 -13.9064 -12.6571 -12.6569 -12.6567 -12.6566 -11.2608 -11.2607 -11.2605 -11.2604 -7.7631 -7.7629 -7.7603 -7.7601 -3.4239 -3.4238 -3.4068 -3.4067 -2.4516 -2.4515 -2.4138 -2.4137 -2.0697 -2.0695 -2.0392 -2.0391 -0.3736 -0.3735 -0.2392 -0.2391 -0.0312 -0.0311 0.1331 0.1332 0.3029 0.3030 0.3573 0.3574 0.8327 0.8328 0.8877 0.8878 1.3688 1.3689 1.4617 1.4618 1.6994 1.6996 1.7949 1.7951 4.6608 4.6608 4.7083 4.7084 4.7424 4.7424 4.7612 4.7613 6.7539 6.7541 k =-0.2872 0.2219 0.1590 ( 9658 PWs) bands (ev): -13.8972 -13.8970 -13.8969 -13.8967 -12.6528 -12.6527 -12.6525 -12.6523 -11.2617 -11.2616 -11.2614 -11.2613 -7.7781 -7.7779 -7.7753 -7.7751 -3.4377 -3.4376 -3.4209 -3.4208 -2.4724 -2.4722 -2.4356 -2.4355 -2.0878 -2.0876 -2.0575 -2.0573 -0.3807 -0.3805 -0.2506 -0.2505 -0.0396 -0.0395 0.1244 0.1245 0.2993 0.2994 0.3465 0.3466 0.8364 0.8365 0.8836 0.8837 1.3707 1.3708 1.4687 1.4688 1.6873 1.6875 1.7848 1.7849 4.6766 4.6766 4.7345 4.7346 4.7617 4.7617 4.7883 4.7884 6.7934 6.7936 k =-0.2979 0.2302 0.1590 ( 9664 PWs) bands (ev): -13.8877 -13.8875 -13.8874 -13.8872 -12.6486 -12.6485 -12.6483 -12.6482 -11.2626 -11.2625 -11.2623 -11.2622 -7.7929 -7.7926 -7.7902 -7.7899 -3.4513 -3.4512 -3.4349 -3.4348 -2.4922 -2.4921 -2.4566 -2.4564 -2.1050 -2.1049 -2.0750 -2.0748 -0.3886 -0.3884 -0.2635 -0.2635 -0.0477 -0.0477 0.1147 0.1149 0.2972 0.2973 0.3376 0.3377 0.8374 0.8375 0.8782 0.8782 1.3719 1.3720 1.4768 1.4769 1.6761 1.6762 1.7754 1.7756 4.6921 4.6921 4.7581 4.7581 4.7823 4.7823 4.8160 4.8161 6.8318 6.8321 k =-0.3085 0.2384 0.1590 ( 9670 PWs) bands (ev): -13.8783 -13.8781 -13.8780 -13.8778 -12.6446 -12.6445 -12.6442 -12.6441 -11.2635 -11.2634 -11.2632 -11.2631 -7.8073 -7.8070 -7.8047 -7.8044 -3.4647 -3.4646 -3.4486 -3.4485 -2.5112 -2.5111 -2.4766 -2.4764 -2.1213 -2.1212 -2.0916 -2.0914 -0.3973 -0.3971 -0.2778 -0.2777 -0.0555 -0.0554 0.1045 0.1046 0.2963 0.2964 0.3305 0.3306 0.8357 0.8358 0.8715 0.8716 1.3724 1.3725 1.4855 1.4856 1.6660 1.6661 1.7671 1.7673 4.7072 4.7073 4.7779 4.7779 4.8056 4.8056 4.8436 4.8437 6.8692 6.8695 k =-0.3191 0.2466 0.1590 ( 9674 PWs) bands (ev): -13.8691 -13.8689 -13.8688 -13.8686 -12.6406 -12.6405 -12.6403 -12.6402 -11.2644 -11.2643 -11.2641 -11.2640 -7.8214 -7.8211 -7.8188 -7.8186 -3.4778 -3.4777 -3.4620 -3.4619 -2.5292 -2.5291 -2.4956 -2.4955 -2.1367 -2.1365 -2.1074 -2.1072 -0.4067 -0.4065 -0.2931 -0.2931 -0.0627 -0.0627 0.0939 0.0940 0.2964 0.2965 0.3253 0.3253 0.8315 0.8316 0.8640 0.8640 1.3720 1.3721 1.4936 1.4938 1.6576 1.6578 1.7601 1.7603 4.7219 4.7220 4.7947 4.7948 4.8306 4.8307 4.8707 4.8708 6.9052 6.9055 k =-0.3298 0.2548 0.1590 ( 9686 PWs) bands (ev): -13.8601 -13.8599 -13.8598 -13.8596 -12.6368 -12.6367 -12.6364 -12.6363 -11.2652 -11.2651 -11.2649 -11.2649 -7.8350 -7.8348 -7.8326 -7.8323 -3.4905 -3.4904 -3.4751 -3.4750 -2.5463 -2.5462 -2.5136 -2.5135 -2.1511 -2.1509 -2.1223 -2.1222 -0.4166 -0.4165 -0.3093 -0.3093 -0.0694 -0.0693 0.0834 0.0835 0.2970 0.2971 0.3220 0.3220 0.8250 0.8251 0.8556 0.8557 1.3705 1.3706 1.5002 1.5003 1.6519 1.6520 1.7547 1.7548 4.7361 4.7362 4.8098 4.8099 4.8561 4.8562 4.8971 4.8972 6.9399 6.9401 k =-0.3404 0.2630 0.1590 ( 9702 PWs) bands (ev): -13.8514 -13.8513 -13.8511 -13.8509 -12.6331 -12.6330 -12.6328 -12.6326 -11.2660 -11.2660 -11.2658 -11.2657 -7.8482 -7.8479 -7.8458 -7.8456 -3.5028 -3.5027 -3.4877 -3.4876 -2.5624 -2.5623 -2.5306 -2.5305 -2.1645 -2.1644 -2.1364 -2.1362 -0.4270 -0.4269 -0.3261 -0.3261 -0.0755 -0.0754 0.0731 0.0732 0.2979 0.2980 0.3207 0.3208 0.8164 0.8165 0.8467 0.8468 1.3679 1.3680 1.5040 1.5041 1.6495 1.6496 1.7509 1.7511 4.7498 4.7499 4.8237 4.8238 4.8812 4.8813 4.9225 4.9226 6.9730 6.9732 k =-0.3511 0.2713 0.1590 ( 9710 PWs) bands (ev): -13.8431 -13.8429 -13.8427 -13.8426 -12.6295 -12.6294 -12.6292 -12.6291 -11.2668 -11.2668 -11.2665 -11.2665 -7.8608 -7.8606 -7.8586 -7.8583 -3.5146 -3.5145 -3.4998 -3.4997 -2.5775 -2.5774 -2.5466 -2.5465 -2.1770 -2.1768 -2.1496 -2.1494 -0.4378 -0.4377 -0.3432 -0.3432 -0.0809 -0.0809 0.0633 0.0634 0.2989 0.2989 0.3215 0.3215 0.8062 0.8062 0.8373 0.8374 1.3642 1.3643 1.5042 1.5044 1.6509 1.6510 1.7488 1.7490 4.7629 4.7630 4.8367 4.8368 4.9054 4.9055 4.9468 4.9469 7.0044 7.0047 k =-0.3617 0.2795 0.1590 ( 9710 PWs) bands (ev): -13.8351 -13.8349 -13.8347 -13.8346 -12.6262 -12.6261 -12.6259 -12.6258 -11.2676 -11.2675 -11.2673 -11.2672 -7.8728 -7.8726 -7.8707 -7.8704 -3.5259 -3.5258 -3.5114 -3.5113 -2.5916 -2.5915 -2.5615 -2.5614 -2.1885 -2.1883 -2.1620 -2.1618 -0.4486 -0.4485 -0.3603 -0.3603 -0.0859 -0.0858 0.0539 0.0540 0.2999 0.3000 0.3241 0.3241 0.7946 0.7947 0.8275 0.8276 1.3593 1.3594 1.5009 1.5010 1.6561 1.6562 1.7484 1.7485 4.7753 4.7754 4.8489 4.8489 4.9286 4.9287 4.9699 4.9700 7.0340 7.0343 k =-0.3723 0.2877 0.1590 ( 9700 PWs) bands (ev): -13.8275 -13.8273 -13.8271 -13.8270 -12.6230 -12.6229 -12.6227 -12.6226 -11.2683 -11.2682 -11.2680 -11.2680 -7.8842 -7.8839 -7.8821 -7.8819 -3.5365 -3.5364 -3.5224 -3.5223 -2.6047 -2.6046 -2.5754 -2.5753 -2.1990 -2.1988 -2.1734 -2.1732 -0.4595 -0.4594 -0.3772 -0.3772 -0.0903 -0.0902 0.0452 0.0453 0.3012 0.3012 0.3282 0.3282 0.7821 0.7822 0.8175 0.8175 1.3534 1.3535 1.4945 1.4946 1.6643 1.6643 1.7493 1.7495 4.7870 4.7870 4.8601 4.8602 4.9506 4.9507 4.9916 4.9917 7.0618 7.0621 k =-0.3830 0.2959 0.1590 ( 9692 PWs) bands (ev): -13.8203 -13.8202 -13.8200 -13.8198 -12.6200 -12.6199 -12.6198 -12.6197 -11.2690 -11.2689 -11.2687 -11.2686 -7.8948 -7.8946 -7.8929 -7.8927 -3.5465 -3.5465 -3.5327 -3.5326 -2.6167 -2.6166 -2.5881 -2.5880 -2.2086 -2.2084 -2.1840 -2.1838 -0.4701 -0.4701 -0.3936 -0.3936 -0.0942 -0.0942 0.0372 0.0372 0.3027 0.3028 0.3335 0.3335 0.7689 0.7690 0.8074 0.8074 1.3468 1.3468 1.4859 1.4860 1.6745 1.6745 1.7515 1.7516 4.7978 4.7979 4.8706 4.8706 4.9711 4.9712 5.0119 5.0119 7.0876 7.0879 k =-0.3936 0.3041 0.1590 ( 9690 PWs) bands (ev): -13.8136 -13.8135 -13.8133 -13.8132 -12.6173 -12.6172 -12.6170 -12.6169 -11.2696 -11.2695 -11.2693 -11.2693 -7.9047 -7.9045 -7.9029 -7.9027 -3.5558 -3.5558 -3.5423 -3.5422 -2.6276 -2.6276 -2.5998 -2.5997 -2.2172 -2.2170 -2.1936 -2.1935 -0.4805 -0.4804 -0.4093 -0.4093 -0.0978 -0.0977 0.0298 0.0299 0.3047 0.3047 0.3397 0.3397 0.7554 0.7554 0.7973 0.7974 1.3396 1.3396 1.4761 1.4761 1.6858 1.6858 1.7546 1.7547 4.8079 4.8079 4.8801 4.8801 4.9902 4.9903 5.0306 5.0307 7.1113 7.1116 k =-0.4043 0.3124 0.1590 ( 9706 PWs) bands (ev): -13.8075 -13.8074 -13.8072 -13.8070 -12.6148 -12.6147 -12.6145 -12.6144 -11.2702 -11.2701 -11.2699 -11.2698 -7.9138 -7.9136 -7.9121 -7.9119 -3.5644 -3.5643 -3.5511 -3.5510 -2.6376 -2.6375 -2.6103 -2.6102 -2.2249 -2.2247 -2.2024 -2.2023 -0.4904 -0.4903 -0.4241 -0.4241 -0.1009 -0.1008 0.0232 0.0232 0.3070 0.3070 0.3465 0.3466 0.7416 0.7417 0.7875 0.7876 1.3321 1.3322 1.4656 1.4656 1.6976 1.6976 1.7582 1.7583 4.8170 4.8171 4.8887 4.8888 5.0077 5.0077 5.0477 5.0477 7.1328 7.1331 k =-0.4149 0.3206 0.1590 ( 9726 PWs) bands (ev): -13.8019 -13.8018 -13.8016 -13.8015 -12.6125 -12.6124 -12.6122 -12.6122 -11.2707 -11.2706 -11.2704 -11.2704 -7.9220 -7.9218 -7.9205 -7.9203 -3.5722 -3.5721 -3.5591 -3.5591 -2.6465 -2.6464 -2.6198 -2.6197 -2.2317 -2.2315 -2.2104 -2.2102 -0.4996 -0.4995 -0.4379 -0.4378 -0.1037 -0.1036 0.0173 0.0173 0.3095 0.3096 0.3539 0.3539 0.7280 0.7280 0.7782 0.7782 1.3246 1.3247 1.4550 1.4551 1.7092 1.7092 1.7621 1.7622 4.8253 4.8253 4.8965 4.8965 5.0234 5.0235 5.0631 5.0632 7.1522 7.1524 k =-0.4255 0.3288 0.1590 ( 9726 PWs) bands (ev): -13.7968 -13.7968 -13.7965 -13.7964 -12.6104 -12.6104 -12.6102 -12.6101 -11.2711 -11.2711 -11.2709 -11.2708 -7.9294 -7.9292 -7.9279 -7.9277 -3.5792 -3.5791 -3.5663 -3.5662 -2.6543 -2.6542 -2.6281 -2.6280 -2.2376 -2.2374 -2.2174 -2.2172 -0.5080 -0.5080 -0.4503 -0.4503 -0.1061 -0.1060 0.0121 0.0122 0.3122 0.3123 0.3615 0.3615 0.7147 0.7148 0.7695 0.7695 1.3174 1.3175 1.4449 1.4449 1.7204 1.7204 1.7660 1.7660 4.8326 4.8326 4.9033 4.9034 5.0375 5.0375 5.0768 5.0768 7.1693 7.1696 k =-0.4362 0.3370 0.1590 ( 9722 PWs) bands (ev): -13.7924 -13.7924 -13.7921 -13.7920 -12.6087 -12.6086 -12.6084 -12.6084 -11.2716 -11.2715 -11.2713 -11.2713 -7.9358 -7.9357 -7.9345 -7.9343 -3.5853 -3.5852 -3.5726 -3.5725 -2.6611 -2.6610 -2.6353 -2.6353 -2.2426 -2.2424 -2.2235 -2.2234 -0.5156 -0.5156 -0.4614 -0.4614 -0.1081 -0.1081 0.0077 0.0077 0.3150 0.3150 0.3691 0.3692 0.7021 0.7021 0.7616 0.7616 1.3107 1.3108 1.4354 1.4354 1.7308 1.7308 1.7695 1.7696 4.8390 4.8390 4.9093 4.9093 5.0497 5.0498 5.0887 5.0888 7.1841 7.1844 k =-0.4468 0.3452 0.1590 ( 9702 PWs) bands (ev): -13.7887 -13.7886 -13.7884 -13.7883 -12.6071 -12.6071 -12.6069 -12.6069 -11.2719 -11.2719 -11.2716 -11.2716 -7.9413 -7.9412 -7.9401 -7.9399 -3.5905 -3.5904 -3.5780 -3.5779 -2.6668 -2.6668 -2.6414 -2.6414 -2.2467 -2.2466 -2.2287 -2.2286 -0.5222 -0.5222 -0.4710 -0.4710 -0.1099 -0.1098 0.0039 0.0039 0.3176 0.3176 0.3765 0.3765 0.6904 0.6904 0.7546 0.7546 1.3047 1.3047 1.4270 1.4270 1.7402 1.7402 1.7726 1.7727 4.8444 4.8444 4.9143 4.9143 5.0602 5.0602 5.0988 5.0989 7.1967 7.1970 k =-0.4574 0.3535 0.1590 ( 9698 PWs) bands (ev): -13.7855 -13.7855 -13.7852 -13.7852 -12.6059 -12.6058 -12.6057 -12.6056 -11.2722 -11.2722 -11.2719 -11.2719 -7.9459 -7.9457 -7.9447 -7.9445 -3.5948 -3.5947 -3.5824 -3.5824 -2.6715 -2.6714 -2.6464 -2.6464 -2.2500 -2.2499 -2.2330 -2.2329 -0.5277 -0.5277 -0.4790 -0.4790 -0.1113 -0.1113 0.0009 0.0009 0.3199 0.3200 0.3833 0.3833 0.6800 0.6801 0.7486 0.7486 1.2995 1.2996 1.4198 1.4198 1.7485 1.7485 1.7750 1.7751 4.8489 4.8489 4.9184 4.9184 5.0688 5.0688 5.1072 5.1072 7.2070 7.2073 k =-0.4681 0.3617 0.1590 ( 9706 PWs) bands (ev): -13.7831 -13.7831 -13.7828 -13.7827 -12.6049 -12.6049 -12.6047 -12.6046 -11.2724 -11.2724 -11.2721 -11.2721 -7.9494 -7.9493 -7.9483 -7.9482 -3.5981 -3.5981 -3.5859 -3.5859 -2.6751 -2.6751 -2.6503 -2.6503 -2.2526 -2.2525 -2.2364 -2.2363 -0.5321 -0.5321 -0.4853 -0.4853 -0.1124 -0.1124 -0.0015 -0.0015 0.3219 0.3219 0.3891 0.3892 0.6714 0.6714 0.7439 0.7439 1.2954 1.2954 1.4140 1.4140 1.7554 1.7554 1.7766 1.7767 4.8523 4.8523 4.9216 4.9216 5.0755 5.0755 5.1136 5.1137 7.2151 7.2154 k =-0.4787 0.3699 0.1590 ( 9696 PWs) bands (ev): -13.7813 -13.7813 -13.7810 -13.7810 -12.6042 -12.6042 -12.6040 -12.6040 -11.2726 -11.2726 -11.2723 -11.2723 -7.9519 -7.9519 -7.9509 -7.9508 -3.6006 -3.6005 -3.5884 -3.5884 -2.6777 -2.6777 -2.6531 -2.6531 -2.2544 -2.2543 -2.2388 -2.2388 -0.5352 -0.5352 -0.4899 -0.4899 -0.1132 -0.1132 -0.0032 -0.0032 0.3234 0.3234 0.3937 0.3937 0.6649 0.6649 0.7404 0.7404 1.2923 1.2924 1.4097 1.4097 1.7608 1.7609 1.7774 1.7775 4.8548 4.8548 4.9239 4.9239 5.0802 5.0803 5.1183 5.1183 7.2209 7.2212 k =-0.4894 0.3781 0.1590 ( 9694 PWs) bands (ev): -13.7803 -13.7803 -13.7800 -13.7800 -12.6038 -12.6037 -12.6036 -12.6035 -11.2727 -11.2727 -11.2724 -11.2724 -7.9534 -7.9534 -7.9524 -7.9524 -3.6020 -3.6020 -3.5899 -3.5899 -2.6793 -2.6793 -2.6548 -2.6547 -2.2554 -2.2554 -2.2403 -2.2402 -0.5371 -0.5371 -0.4926 -0.4926 -0.1136 -0.1136 -0.0042 -0.0042 0.3244 0.3244 0.3966 0.3966 0.6608 0.6608 0.7383 0.7383 1.2905 1.2905 1.4071 1.4072 1.7644 1.7644 1.7776 1.7777 4.8563 4.8563 4.9252 4.9252 5.0831 5.0831 5.1211 5.1211 7.2245 7.2247 k =-0.5000 0.3863 0.1590 ( 9692 PWs) bands (ev): -13.7799 -13.7799 -13.7796 -13.7796 -12.6036 -12.6036 -12.6034 -12.6034 -11.2727 -11.2727 -11.2724 -11.2724 -7.9539 -7.9539 -7.9529 -7.9529 -3.6025 -3.6025 -3.5904 -3.5904 -2.6798 -2.6798 -2.6553 -2.6553 -2.2558 -2.2558 -2.2407 -2.2407 -0.5378 -0.5378 -0.4936 -0.4936 -0.1138 -0.1138 -0.0045 -0.0045 0.3247 0.3247 0.3975 0.3975 0.6594 0.6594 0.7376 0.7376 1.2899 1.2899 1.4063 1.4063 1.7657 1.7657 1.7776 1.7776 4.8568 4.8568 4.9257 4.9257 5.0841 5.0841 5.1220 5.1220 7.2258 7.2258 Writing output data file SBr.save init_run : 2.43s CPU 12.47s WALL ( 1 calls) electrons : 1490.36s CPU 1526.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.66s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 1490.34s CPU 1526.04s WALL ( 1 calls) v_of_rho : 0.26s CPU 1.04s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.25s CPU 0.62s WALL ( 1 calls) newd : 0.42s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.32s WALL ( 336 calls) cegterg : 1248.70s CPU 1266.05s WALL ( 806 calls) Called by sum_band: Called by *egterg: h_psi : 610.94s CPU 623.75s WALL ( 14611 calls) s_psi : 66.48s CPU 66.98s WALL ( 14611 calls) g_psi : 1.76s CPU 1.77s WALL ( 13469 calls) cdiaghg : 361.55s CPU 360.63s WALL ( 13805 calls) cegterg:over : 117.82s CPU 116.07s WALL ( 13469 calls) cegterg:upda : 39.31s CPU 43.36s WALL ( 13469 calls) cegterg:last : 33.14s CPU 34.04s WALL ( 2149 calls) Called by h_psi: h_psi:vloc : 471.09s CPU 481.38s WALL ( 14611 calls) h_psi:vnl : 138.96s CPU 140.65s WALL ( 14611 calls) add_vuspsi : 51.51s CPU 56.71s WALL ( 14611 calls) General routines calbec : 87.38s CPU 83.80s WALL ( 14611 calls) fft : 0.54s CPU 1.43s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 449.95s CPU 458.83s WALL ( 1497416 calls) interpolate : 0.04s CPU 0.09s WALL ( 4 calls) davcio : 0.04s CPU 20.58s WALL ( 672 calls) Parallel routines fft_scatter : 286.69s CPU 290.47s WALL ( 1497439 calls) PWSCF : 27m28.45s CPU 34m52.53s WALL This run was terminated on: 10: 4:14 28Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=