Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:21:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TlI.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 42 12 1505 1178 183 Max 51 43 13 1507 1194 186 Sum 1769 1515 433 54209 42757 6667 bravais-lattice index = 14 lattice parameter (alat) = 12.9526 a.u. unit-cell volume = 1048.8808 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 211.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.952591 celldm(2)= 1.000000 celldm(3)= 0.766098 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.776558 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.776558 0.630046 0.000000 ) a(3) = ( 0.000000 0.000000 0.766098 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.232543 -0.000000 ) b(2) = ( 0.000000 1.587187 -0.000000 ) b(3) = ( 0.000000 0.000000 1.305316 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0072165 0.0203485 -0.0000000), wk = 0.0028902 k( 3) = ( 0.0144330 0.0406971 -0.0000000), wk = 0.0028902 k( 4) = ( 0.0216495 0.0610456 -0.0000000), wk = 0.0028902 k( 5) = ( 0.0288660 0.0813942 -0.0000000), wk = 0.0028902 k( 6) = ( 0.0360825 0.1017427 -0.0000000), wk = 0.0028902 k( 7) = ( 0.0432989 0.1220913 -0.0000000), wk = 0.0028902 k( 8) = ( 0.0505154 0.1424398 -0.0000000), wk = 0.0028902 k( 9) = ( 0.0577319 0.1627884 -0.0000000), wk = 0.0028902 k( 10) = ( 0.0649484 0.1831369 -0.0000000), wk = 0.0028902 k( 11) = ( 0.0721649 0.2034855 -0.0000000), wk = 0.0028902 k( 12) = ( 0.0793814 0.2238340 -0.0000000), wk = 0.0028902 k( 13) = ( 0.0865979 0.2441826 -0.0000000), wk = 0.0028902 k( 14) = ( 0.0938144 0.2645311 -0.0000000), wk = 0.0028902 k( 15) = ( 0.1010309 0.2848797 -0.0000000), wk = 0.0028902 k( 16) = ( 0.1082473 0.3052282 -0.0000000), wk = 0.0028902 k( 17) = ( 0.1154638 0.3255768 -0.0000000), wk = 0.0028902 k( 18) = ( 0.1226803 0.3459253 -0.0000000), wk = 0.0028902 k( 19) = ( 0.1298968 0.3662739 -0.0000000), wk = 0.0028902 k( 20) = ( 0.1371133 0.3866224 -0.0000000), wk = 0.0028902 k( 21) = ( 0.1443298 0.4069709 -0.0000000), wk = 0.0028902 k( 22) = ( 0.1515463 0.4273195 -0.0000000), wk = 0.0028902 k( 23) = ( 0.1587628 0.4476680 -0.0000000), wk = 0.0028902 k( 24) = ( 0.1659793 0.4680166 -0.0000000), wk = 0.0028902 k( 25) = ( 0.1731957 0.4883651 -0.0000000), wk = 0.0028902 k( 26) = ( 0.1804122 0.5087137 -0.0000000), wk = 0.0028902 k( 27) = ( 0.1876287 0.5290622 -0.0000000), wk = 0.0028902 k( 28) = ( 0.1948452 0.5494108 -0.0000000), wk = 0.0028902 k( 29) = ( 0.2020617 0.5697593 -0.0000000), wk = 0.0028902 k( 30) = ( 0.2092782 0.5901079 -0.0000000), wk = 0.0028902 k( 31) = ( 0.2164947 0.6104564 -0.0000000), wk = 0.0028902 k( 32) = ( 0.2237112 0.6308050 -0.0000000), wk = 0.0028902 k( 33) = ( 0.2309277 0.6511535 -0.0000000), wk = 0.0028902 k( 34) = ( 0.2381441 0.6715021 -0.0000000), wk = 0.0028902 k( 35) = ( 0.2453606 0.6918506 -0.0000000), wk = 0.0028902 k( 36) = ( 0.2525771 0.7121992 -0.0000000), wk = 0.0028902 k( 37) = ( 0.2597936 0.7325477 -0.0000000), wk = 0.0028902 k( 38) = ( 0.2670101 0.7528963 -0.0000000), wk = 0.0028902 k( 39) = ( 0.2742266 0.7732448 -0.0000000), wk = 0.0028902 k( 40) = ( 0.2814431 0.7935933 -0.0000000), wk = 0.0028902 k( 41) = ( 0.2814431 0.7935933 -0.0000000), wk = 0.0028902 k( 42) = ( 0.2597936 0.7935933 -0.0000000), wk = 0.0028902 k( 43) = ( 0.2381441 0.7935933 -0.0000000), wk = 0.0028902 k( 44) = ( 0.2164947 0.7935933 -0.0000000), wk = 0.0028902 k( 45) = ( 0.1948452 0.7935933 -0.0000000), wk = 0.0028902 k( 46) = ( 0.1731957 0.7935933 -0.0000000), wk = 0.0028902 k( 47) = ( 0.1515463 0.7935933 -0.0000000), wk = 0.0028902 k( 48) = ( 0.1298968 0.7935933 -0.0000000), wk = 0.0028902 k( 49) = ( 0.1082473 0.7935933 -0.0000000), wk = 0.0028902 k( 50) = ( 0.0865979 0.7935933 -0.0000000), wk = 0.0028902 k( 51) = ( 0.0649484 0.7935933 -0.0000000), wk = 0.0028902 k( 52) = ( 0.0432989 0.7935933 -0.0000000), wk = 0.0028902 k( 53) = ( 0.0216495 0.7935933 -0.0000000), wk = 0.0028902 k( 54) = ( 0.0000000 0.7935933 -0.0000000), wk = 0.0028902 k( 55) = ( 0.0000000 0.7935933 -0.0000000), wk = 0.0028902 k( 56) = ( 0.0000000 0.7935933 0.0217553), wk = 0.0028902 k( 57) = ( 0.0000000 0.7935933 0.0435105), wk = 0.0028902 k( 58) = ( 0.0000000 0.7935933 0.0652658), wk = 0.0028902 k( 59) = ( 0.0000000 0.7935933 0.0870211), wk = 0.0028902 k( 60) = ( 0.0000000 0.7935933 0.1087764), wk = 0.0028902 k( 61) = ( 0.0000000 0.7935933 0.1305316), wk = 0.0028902 k( 62) = ( 0.0000000 0.7935933 0.1522869), wk = 0.0028902 k( 63) = ( 0.0000000 0.7935933 0.1740422), wk = 0.0028902 k( 64) = ( 0.0000000 0.7935933 0.1957975), wk = 0.0028902 k( 65) = ( 0.0000000 0.7935933 0.2175527), wk = 0.0028902 k( 66) = ( 0.0000000 0.7935933 0.2393080), wk = 0.0028902 k( 67) = ( 0.0000000 0.7935933 0.2610633), wk = 0.0028902 k( 68) = ( 0.0000000 0.7935933 0.2828186), wk = 0.0028902 k( 69) = ( 0.0000000 0.7935933 0.3045738), wk = 0.0028902 k( 70) = ( 0.0000000 0.7935933 0.3263291), wk = 0.0028902 k( 71) = ( 0.0000000 0.7935933 0.3480844), wk = 0.0028902 k( 72) = ( 0.0000000 0.7935933 0.3698396), wk = 0.0028902 k( 73) = ( 0.0000000 0.7935933 0.3915949), wk = 0.0028902 k( 74) = ( 0.0000000 0.7935933 0.4133502), wk = 0.0028902 k( 75) = ( 0.0000000 0.7935933 0.4351055), wk = 0.0028902 k( 76) = ( 0.0000000 0.7935933 0.4568607), wk = 0.0028902 k( 77) = ( 0.0000000 0.7935933 0.4786160), wk = 0.0028902 k( 78) = ( 0.0000000 0.7935933 0.5003713), wk = 0.0028902 k( 79) = ( 0.0000000 0.7935933 0.5221266), wk = 0.0028902 k( 80) = ( 0.0000000 0.7935933 0.5438818), wk = 0.0028902 k( 81) = ( 0.0000000 0.7935933 0.5656371), wk = 0.0028902 k( 82) = ( 0.0000000 0.7935933 0.5873924), wk = 0.0028902 k( 83) = ( 0.0000000 0.7935933 0.6091476), wk = 0.0028902 k( 84) = ( 0.0000000 0.7935933 0.6309029), wk = 0.0028902 k( 85) = ( 0.0000000 0.7935933 0.6526582), wk = 0.0028902 k( 86) = ( 0.0000000 0.7935933 0.6526582), wk = 0.0028902 k( 87) = ( 0.0216495 0.7935933 0.6526582), wk = 0.0028902 k( 88) = ( 0.0432989 0.7935933 0.6526582), wk = 0.0028902 k( 89) = ( 0.0649484 0.7935933 0.6526582), wk = 0.0028902 k( 90) = ( 0.0865979 0.7935933 0.6526582), wk = 0.0028902 k( 91) = ( 0.1082473 0.7935933 0.6526582), wk = 0.0028902 k( 92) = ( 0.1298968 0.7935933 0.6526582), wk = 0.0028902 k( 93) = ( 0.1515463 0.7935933 0.6526582), wk = 0.0028902 k( 94) = ( 0.1731957 0.7935933 0.6526582), wk = 0.0028902 k( 95) = ( 0.1948452 0.7935933 0.6526582), wk = 0.0028902 k( 96) = ( 0.2164947 0.7935933 0.6526582), wk = 0.0028902 k( 97) = ( 0.2381441 0.7935933 0.6526582), wk = 0.0028902 k( 98) = ( 0.2597936 0.7935933 0.6526582), wk = 0.0028902 k( 99) = ( 0.2814431 0.7935933 0.6526582), wk = 0.0028902 k( 100) = ( 0.2814431 0.7935933 0.6526582), wk = 0.0028902 k( 101) = ( 0.2742266 0.7732448 0.6526582), wk = 0.0028902 k( 102) = ( 0.2670101 0.7528963 0.6526582), wk = 0.0028902 k( 103) = ( 0.2597936 0.7325477 0.6526582), wk = 0.0028902 k( 104) = ( 0.2525771 0.7121992 0.6526582), wk = 0.0028902 k( 105) = ( 0.2453606 0.6918506 0.6526582), wk = 0.0028902 k( 106) = ( 0.2381441 0.6715021 0.6526582), wk = 0.0028902 k( 107) = ( 0.2309277 0.6511535 0.6526582), wk = 0.0028902 k( 108) = ( 0.2237112 0.6308050 0.6526582), wk = 0.0028902 k( 109) = ( 0.2164947 0.6104564 0.6526582), wk = 0.0028902 k( 110) = ( 0.2092782 0.5901079 0.6526582), wk = 0.0028902 k( 111) = ( 0.2020617 0.5697593 0.6526582), wk = 0.0028902 k( 112) = ( 0.1948452 0.5494108 0.6526582), wk = 0.0028902 k( 113) = ( 0.1876287 0.5290622 0.6526582), wk = 0.0028902 k( 114) = ( 0.1804122 0.5087137 0.6526582), wk = 0.0028902 k( 115) = ( 0.1731957 0.4883651 0.6526582), wk = 0.0028902 k( 116) = ( 0.1659793 0.4680166 0.6526582), wk = 0.0028902 k( 117) = ( 0.1587628 0.4476680 0.6526582), wk = 0.0028902 k( 118) = ( 0.1515463 0.4273195 0.6526582), wk = 0.0028902 k( 119) = ( 0.1443298 0.4069709 0.6526582), wk = 0.0028902 k( 120) = ( 0.1371133 0.3866224 0.6526582), wk = 0.0028902 k( 121) = ( 0.1298968 0.3662739 0.6526582), wk = 0.0028902 k( 122) = ( 0.1226803 0.3459253 0.6526582), wk = 0.0028902 k( 123) = ( 0.1154638 0.3255768 0.6526582), wk = 0.0028902 k( 124) = ( 0.1082473 0.3052282 0.6526582), wk = 0.0028902 k( 125) = ( 0.1010309 0.2848797 0.6526582), wk = 0.0028902 k( 126) = ( 0.0938144 0.2645311 0.6526582), wk = 0.0028902 k( 127) = ( 0.0865979 0.2441826 0.6526582), wk = 0.0028902 k( 128) = ( 0.0793814 0.2238340 0.6526582), wk = 0.0028902 k( 129) = ( 0.0721649 0.2034855 0.6526582), wk = 0.0028902 k( 130) = ( 0.0649484 0.1831369 0.6526582), wk = 0.0028902 k( 131) = ( 0.0577319 0.1627884 0.6526582), wk = 0.0028902 k( 132) = ( 0.0505154 0.1424398 0.6526582), wk = 0.0028902 k( 133) = ( 0.0432989 0.1220913 0.6526582), wk = 0.0028902 k( 134) = ( 0.0360825 0.1017427 0.6526582), wk = 0.0028902 k( 135) = ( 0.0288660 0.0813942 0.6526582), wk = 0.0028902 k( 136) = ( 0.0216495 0.0610456 0.6526582), wk = 0.0028902 k( 137) = ( 0.0144330 0.0406971 0.6526582), wk = 0.0028902 k( 138) = ( 0.0072165 0.0203485 0.6526582), wk = 0.0028902 k( 139) = ( 0.0000000 0.0000000 0.6526582), wk = 0.0028902 k( 140) = ( 0.0000000 0.0000000 0.6526582), wk = 0.0028902 k( 141) = ( 0.0000000 0.0000000 0.6309029), wk = 0.0028902 k( 142) = ( 0.0000000 0.0000000 0.6091476), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.5873924), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.5656371), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.5438818), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.5221266), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.5003713), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.4786160), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.4568607), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.4351055), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.4133502), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.3915949), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.3698396), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.3480844), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.3263291), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.3045738), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.2828186), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.2610633), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.2393080), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.2175527), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.1957975), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.1740422), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.1522869), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.1305316), wk = 0.0028902 k( 165) = ( 0.0000000 0.0000000 0.1087764), wk = 0.0028902 k( 166) = ( 0.0000000 0.0000000 0.0870211), wk = 0.0028902 k( 167) = ( 0.0000000 0.0000000 0.0652658), wk = 0.0028902 k( 168) = ( 0.0000000 0.0000000 0.0435105), wk = 0.0028902 k( 169) = ( 0.0000000 0.0000000 0.0217553), wk = 0.0028902 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 172) = ( -0.0200000 0.0070929 0.0000000), wk = 0.0028902 k( 173) = ( -0.0400000 0.0141858 0.0000000), wk = 0.0028902 k( 174) = ( -0.0600000 0.0212786 0.0000000), wk = 0.0028902 k( 175) = ( -0.0800000 0.0283715 0.0000000), wk = 0.0028902 k( 176) = ( -0.1000000 0.0354644 -0.0000000), wk = 0.0028902 k( 177) = ( -0.1200000 0.0425573 0.0000000), wk = 0.0028902 k( 178) = ( -0.1400000 0.0496502 -0.0000000), wk = 0.0028902 k( 179) = ( -0.1600000 0.0567430 0.0000000), wk = 0.0028902 k( 180) = ( -0.1800000 0.0638359 -0.0000000), wk = 0.0028902 k( 181) = ( -0.2000000 0.0709288 -0.0000000), wk = 0.0028902 k( 182) = ( -0.2200000 0.0780217 0.0000000), wk = 0.0028902 k( 183) = ( -0.2400000 0.0851146 0.0000000), wk = 0.0028902 k( 184) = ( -0.2600000 0.0922074 0.0000000), wk = 0.0028902 k( 185) = ( -0.2800000 0.0993003 -0.0000000), wk = 0.0028902 k( 186) = ( -0.3000000 0.1063932 -0.0000000), wk = 0.0028902 k( 187) = ( -0.3200000 0.1134861 0.0000000), wk = 0.0028902 k( 188) = ( -0.3400000 0.1205789 -0.0000000), wk = 0.0028902 k( 189) = ( -0.3600000 0.1276718 -0.0000000), wk = 0.0028902 k( 190) = ( -0.3800000 0.1347647 0.0000000), wk = 0.0028902 k( 191) = ( -0.4000000 0.1418576 -0.0000000), wk = 0.0028902 k( 192) = ( -0.4200000 0.1489505 0.0000000), wk = 0.0028902 k( 193) = ( -0.4400000 0.1560433 0.0000000), wk = 0.0028902 k( 194) = ( -0.4600000 0.1631362 -0.0000000), wk = 0.0028902 k( 195) = ( -0.4800000 0.1702291 0.0000000), wk = 0.0028902 k( 196) = ( -0.5000000 0.1773220 0.0000000), wk = 0.0028902 k( 197) = ( -0.5000000 0.1773220 0.0000000), wk = 0.0028902 k( 198) = ( -0.4927148 0.1978644 -0.0000000), wk = 0.0028902 k( 199) = ( -0.4854295 0.2184067 -0.0000000), wk = 0.0028902 k( 200) = ( -0.4781443 0.2389491 -0.0000000), wk = 0.0028902 k( 201) = ( -0.4708591 0.2594915 -0.0000000), wk = 0.0028902 k( 202) = ( -0.4635739 0.2800339 -0.0000000), wk = 0.0028902 k( 203) = ( -0.4562886 0.3005762 -0.0000000), wk = 0.0028902 k( 204) = ( -0.4490034 0.3211186 -0.0000000), wk = 0.0028902 k( 205) = ( -0.4417182 0.3416610 -0.0000000), wk = 0.0028902 k( 206) = ( -0.4344329 0.3622034 -0.0000000), wk = 0.0028902 k( 207) = ( -0.4271477 0.3827458 -0.0000000), wk = 0.0028902 k( 208) = ( -0.4198625 0.4032882 -0.0000000), wk = 0.0028902 k( 209) = ( -0.4125772 0.4238305 -0.0000000), wk = 0.0028902 k( 210) = ( -0.4052920 0.4443729 -0.0000000), wk = 0.0028902 k( 211) = ( -0.3980068 0.4649153 -0.0000000), wk = 0.0028902 k( 212) = ( -0.3907215 0.4854577 -0.0000000), wk = 0.0028902 k( 213) = ( -0.3834363 0.5060000 -0.0000000), wk = 0.0028902 k( 214) = ( -0.3761511 0.5265424 -0.0000000), wk = 0.0028902 k( 215) = ( -0.3688658 0.5470848 -0.0000000), wk = 0.0028902 k( 216) = ( -0.3615806 0.5676272 -0.0000000), wk = 0.0028902 k( 217) = ( -0.3542954 0.5881696 -0.0000000), wk = 0.0028902 k( 218) = ( -0.3470102 0.6087119 -0.0000000), wk = 0.0028902 k( 219) = ( -0.3397249 0.6292543 -0.0000000), wk = 0.0028902 k( 220) = ( -0.3324397 0.6497967 -0.0000000), wk = 0.0028902 k( 221) = ( -0.3251545 0.6703391 -0.0000000), wk = 0.0028902 k( 222) = ( -0.3178692 0.6908814 -0.0000000), wk = 0.0028902 k( 223) = ( -0.3105840 0.7114238 -0.0000000), wk = 0.0028902 k( 224) = ( -0.3032988 0.7319662 -0.0000000), wk = 0.0028902 k( 225) = ( -0.2960136 0.7525086 -0.0000000), wk = 0.0028902 k( 226) = ( -0.2887283 0.7730509 -0.0000000), wk = 0.0028902 k( 227) = ( -0.2814431 0.7935933 -0.0000000), wk = 0.0028902 k( 228) = ( -0.2814431 0.7935933 -0.0000000), wk = 0.0028902 k( 229) = ( -0.2814431 0.7935933 0.0217553), wk = 0.0028902 k( 230) = ( -0.2814431 0.7935933 0.0435105), wk = 0.0028902 k( 231) = ( -0.2814431 0.7935933 0.0652658), wk = 0.0028902 k( 232) = ( -0.2814431 0.7935933 0.0870211), wk = 0.0028902 k( 233) = ( -0.2814431 0.7935933 0.1087764), wk = 0.0028902 k( 234) = ( -0.2814431 0.7935933 0.1305316), wk = 0.0028902 k( 235) = ( -0.2814431 0.7935933 0.1522869), wk = 0.0028902 k( 236) = ( -0.2814431 0.7935933 0.1740422), wk = 0.0028902 k( 237) = ( -0.2814431 0.7935933 0.1957975), wk = 0.0028902 k( 238) = ( -0.2814431 0.7935933 0.2175527), wk = 0.0028902 k( 239) = ( -0.2814431 0.7935933 0.2393080), wk = 0.0028902 k( 240) = ( -0.2814431 0.7935933 0.2610633), wk = 0.0028902 k( 241) = ( -0.2814431 0.7935933 0.2828186), wk = 0.0028902 k( 242) = ( -0.2814431 0.7935933 0.3045738), wk = 0.0028902 k( 243) = ( -0.2814431 0.7935933 0.3263291), wk = 0.0028902 k( 244) = ( -0.2814431 0.7935933 0.3480844), wk = 0.0028902 k( 245) = ( -0.2814431 0.7935933 0.3698396), wk = 0.0028902 k( 246) = ( -0.2814431 0.7935933 0.3915949), wk = 0.0028902 k( 247) = ( -0.2814431 0.7935933 0.4133502), wk = 0.0028902 k( 248) = ( -0.2814431 0.7935933 0.4351055), wk = 0.0028902 k( 249) = ( -0.2814431 0.7935933 0.4568607), wk = 0.0028902 k( 250) = ( -0.2814431 0.7935933 0.4786160), wk = 0.0028902 k( 251) = ( -0.2814431 0.7935933 0.5003713), wk = 0.0028902 k( 252) = ( -0.2814431 0.7935933 0.5221266), wk = 0.0028902 k( 253) = ( -0.2814431 0.7935933 0.5438818), wk = 0.0028902 k( 254) = ( -0.2814431 0.7935933 0.5656371), wk = 0.0028902 k( 255) = ( -0.2814431 0.7935933 0.5873924), wk = 0.0028902 k( 256) = ( -0.2814431 0.7935933 0.6091476), wk = 0.0028902 k( 257) = ( -0.2814431 0.7935933 0.6309029), wk = 0.0028902 k( 258) = ( -0.2814431 0.7935933 0.6526582), wk = 0.0028902 k( 259) = ( -0.2814431 0.7935933 0.6526582), wk = 0.0028902 k( 260) = ( -0.2887283 0.7730509 0.6526582), wk = 0.0028902 k( 261) = ( -0.2960136 0.7525086 0.6526582), wk = 0.0028902 k( 262) = ( -0.3032988 0.7319662 0.6526582), wk = 0.0028902 k( 263) = ( -0.3105840 0.7114238 0.6526582), wk = 0.0028902 k( 264) = ( -0.3178692 0.6908814 0.6526582), wk = 0.0028902 k( 265) = ( -0.3251545 0.6703391 0.6526582), wk = 0.0028902 k( 266) = ( -0.3324397 0.6497967 0.6526582), wk = 0.0028902 k( 267) = ( -0.3397249 0.6292543 0.6526582), wk = 0.0028902 k( 268) = ( -0.3470102 0.6087119 0.6526582), wk = 0.0028902 k( 269) = ( -0.3542954 0.5881696 0.6526582), wk = 0.0028902 k( 270) = ( -0.3615806 0.5676272 0.6526582), wk = 0.0028902 k( 271) = ( -0.3688658 0.5470848 0.6526582), wk = 0.0028902 k( 272) = ( -0.3761511 0.5265424 0.6526582), wk = 0.0028902 k( 273) = ( -0.3834363 0.5060000 0.6526582), wk = 0.0028902 k( 274) = ( -0.3907215 0.4854577 0.6526582), wk = 0.0028902 k( 275) = ( -0.3980068 0.4649153 0.6526582), wk = 0.0028902 k( 276) = ( -0.4052920 0.4443729 0.6526582), wk = 0.0028902 k( 277) = ( -0.4125772 0.4238305 0.6526582), wk = 0.0028902 k( 278) = ( -0.4198625 0.4032882 0.6526582), wk = 0.0028902 k( 279) = ( -0.4271477 0.3827458 0.6526582), wk = 0.0028902 k( 280) = ( -0.4344329 0.3622034 0.6526582), wk = 0.0028902 k( 281) = ( -0.4417182 0.3416610 0.6526582), wk = 0.0028902 k( 282) = ( -0.4490034 0.3211186 0.6526582), wk = 0.0028902 k( 283) = ( -0.4562886 0.3005762 0.6526582), wk = 0.0028902 k( 284) = ( -0.4635739 0.2800339 0.6526582), wk = 0.0028902 k( 285) = ( -0.4708591 0.2594915 0.6526582), wk = 0.0028902 k( 286) = ( -0.4781443 0.2389491 0.6526582), wk = 0.0028902 k( 287) = ( -0.4854295 0.2184067 0.6526582), wk = 0.0028902 k( 288) = ( -0.4927148 0.1978644 0.6526582), wk = 0.0028902 k( 289) = ( -0.5000000 0.1773220 0.6526582), wk = 0.0028902 k( 290) = ( -0.5000000 0.1773220 0.6526582), wk = 0.0028902 k( 291) = ( -0.5000000 0.1773220 0.6309029), wk = 0.0028902 k( 292) = ( -0.5000000 0.1773220 0.6091476), wk = 0.0028902 k( 293) = ( -0.5000000 0.1773220 0.5873924), wk = 0.0028902 k( 294) = ( -0.5000000 0.1773220 0.5656371), wk = 0.0028902 k( 295) = ( -0.5000000 0.1773220 0.5438818), wk = 0.0028902 k( 296) = ( -0.5000000 0.1773220 0.5221266), wk = 0.0028902 k( 297) = ( -0.5000000 0.1773220 0.5003713), wk = 0.0028902 k( 298) = ( -0.5000000 0.1773220 0.4786160), wk = 0.0028902 k( 299) = ( -0.5000000 0.1773220 0.4568607), wk = 0.0028902 k( 300) = ( -0.5000000 0.1773220 0.4351055), wk = 0.0028902 k( 301) = ( -0.5000000 0.1773220 0.4133502), wk = 0.0028902 k( 302) = ( -0.5000000 0.1773220 0.3915949), wk = 0.0028902 k( 303) = ( -0.5000000 0.1773220 0.3698396), wk = 0.0028902 k( 304) = ( -0.5000000 0.1773220 0.3480844), wk = 0.0028902 k( 305) = ( -0.5000000 0.1773220 0.3263291), wk = 0.0028902 k( 306) = ( -0.5000000 0.1773220 0.3045738), wk = 0.0028902 k( 307) = ( -0.5000000 0.1773220 0.2828186), wk = 0.0028902 k( 308) = ( -0.5000000 0.1773220 0.2610633), wk = 0.0028902 k( 309) = ( -0.5000000 0.1773220 0.2393080), wk = 0.0028902 k( 310) = ( -0.5000000 0.1773220 0.2175527), wk = 0.0028902 k( 311) = ( -0.5000000 0.1773220 0.1957975), wk = 0.0028902 k( 312) = ( -0.5000000 0.1773220 0.1740422), wk = 0.0028902 k( 313) = ( -0.5000000 0.1773220 0.1522869), wk = 0.0028902 k( 314) = ( -0.5000000 0.1773220 0.1305316), wk = 0.0028902 k( 315) = ( -0.5000000 0.1773220 0.1087764), wk = 0.0028902 k( 316) = ( -0.5000000 0.1773220 0.0870211), wk = 0.0028902 k( 317) = ( -0.5000000 0.1773220 0.0652658), wk = 0.0028902 k( 318) = ( -0.5000000 0.1773220 0.0435105), wk = 0.0028902 k( 319) = ( -0.5000000 0.1773220 0.0217553), wk = 0.0028902 k( 320) = ( -0.5000000 0.1773220 0.0000000), wk = 0.0028902 k( 321) = ( 0.0000000 0.0000000 0.6526582), wk = 0.0028902 k( 322) = ( -0.0200000 0.0070929 0.6526582), wk = 0.0028902 k( 323) = ( -0.0400000 0.0141858 0.6526582), wk = 0.0028902 k( 324) = ( -0.0600000 0.0212786 0.6526582), wk = 0.0028902 k( 325) = ( -0.0800000 0.0283715 0.6526582), wk = 0.0028902 k( 326) = ( -0.1000000 0.0354644 0.6526582), wk = 0.0028902 k( 327) = ( -0.1200000 0.0425573 0.6526582), wk = 0.0028902 k( 328) = ( -0.1400000 0.0496502 0.6526582), wk = 0.0028902 k( 329) = ( -0.1600000 0.0567430 0.6526582), wk = 0.0028902 k( 330) = ( -0.1800000 0.0638359 0.6526582), wk = 0.0028902 k( 331) = ( -0.2000000 0.0709288 0.6526582), wk = 0.0028902 k( 332) = ( -0.2200000 0.0780217 0.6526582), wk = 0.0028902 k( 333) = ( -0.2400000 0.0851146 0.6526582), wk = 0.0028902 k( 334) = ( -0.2600000 0.0922074 0.6526582), wk = 0.0028902 k( 335) = ( -0.2800000 0.0993003 0.6526582), wk = 0.0028902 k( 336) = ( -0.3000000 0.1063932 0.6526582), wk = 0.0028902 k( 337) = ( -0.3200000 0.1134861 0.6526582), wk = 0.0028902 k( 338) = ( -0.3400000 0.1205789 0.6526582), wk = 0.0028902 k( 339) = ( -0.3600000 0.1276718 0.6526582), wk = 0.0028902 k( 340) = ( -0.3800000 0.1347647 0.6526582), wk = 0.0028902 k( 341) = ( -0.4000000 0.1418576 0.6526582), wk = 0.0028902 k( 342) = ( -0.4200000 0.1489505 0.6526582), wk = 0.0028902 k( 343) = ( -0.4400000 0.1560433 0.6526582), wk = 0.0028902 k( 344) = ( -0.4600000 0.1631362 0.6526582), wk = 0.0028902 k( 345) = ( -0.4800000 0.1702291 0.6526582), wk = 0.0028902 k( 346) = ( -0.5000000 0.1773220 0.6526582), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0072165 0.0072165 0.0000000), wk = 0.0028902 k( 3) = ( 0.0144330 0.0144330 0.0000000), wk = 0.0028902 k( 4) = ( 0.0216495 0.0216495 0.0000000), wk = 0.0028902 k( 5) = ( 0.0288660 0.0288660 0.0000000), wk = 0.0028902 k( 6) = ( 0.0360825 0.0360825 -0.0000000), wk = 0.0028902 k( 7) = ( 0.0432989 0.0432989 0.0000000), wk = 0.0028902 k( 8) = ( 0.0505154 0.0505154 -0.0000000), wk = 0.0028902 k( 9) = ( 0.0577319 0.0577319 0.0000000), wk = 0.0028902 k( 10) = ( 0.0649484 0.0649484 0.0000000), wk = 0.0028902 k( 11) = ( 0.0721649 0.0721649 -0.0000000), wk = 0.0028902 k( 12) = ( 0.0793814 0.0793814 0.0000000), wk = 0.0028902 k( 13) = ( 0.0865979 0.0865979 -0.0000000), wk = 0.0028902 k( 14) = ( 0.0938144 0.0938144 0.0000000), wk = 0.0028902 k( 15) = ( 0.1010309 0.1010309 -0.0000000), wk = 0.0028902 k( 16) = ( 0.1082473 0.1082473 0.0000000), wk = 0.0028902 k( 17) = ( 0.1154638 0.1154638 0.0000000), wk = 0.0028902 k( 18) = ( 0.1226803 0.1226803 0.0000000), wk = 0.0028902 k( 19) = ( 0.1298968 0.1298968 -0.0000000), wk = 0.0028902 k( 20) = ( 0.1371133 0.1371133 0.0000000), wk = 0.0028902 k( 21) = ( 0.1443298 0.1443298 -0.0000000), wk = 0.0028902 k( 22) = ( 0.1515463 0.1515463 0.0000000), wk = 0.0028902 k( 23) = ( 0.1587628 0.1587628 -0.0000000), wk = 0.0028902 k( 24) = ( 0.1659793 0.1659793 0.0000000), wk = 0.0028902 k( 25) = ( 0.1731957 0.1731957 -0.0000000), wk = 0.0028902 k( 26) = ( 0.1804122 0.1804122 -0.0000000), wk = 0.0028902 k( 27) = ( 0.1876287 0.1876287 0.0000000), wk = 0.0028902 k( 28) = ( 0.1948452 0.1948452 0.0000000), wk = 0.0028902 k( 29) = ( 0.2020617 0.2020617 -0.0000000), wk = 0.0028902 k( 30) = ( 0.2092782 0.2092782 0.0000000), wk = 0.0028902 k( 31) = ( 0.2164947 0.2164947 0.0000000), wk = 0.0028902 k( 32) = ( 0.2237112 0.2237112 -0.0000000), wk = 0.0028902 k( 33) = ( 0.2309277 0.2309277 0.0000000), wk = 0.0028902 k( 34) = ( 0.2381441 0.2381441 -0.0000000), wk = 0.0028902 k( 35) = ( 0.2453606 0.2453606 0.0000000), wk = 0.0028902 k( 36) = ( 0.2525771 0.2525771 0.0000000), wk = 0.0028902 k( 37) = ( 0.2597936 0.2597936 -0.0000000), wk = 0.0028902 k( 38) = ( 0.2670101 0.2670101 0.0000000), wk = 0.0028902 k( 39) = ( 0.2742266 0.2742266 0.0000000), wk = 0.0028902 k( 40) = ( 0.2814431 0.2814431 -0.0000000), wk = 0.0028902 k( 41) = ( 0.2814431 0.2814431 -0.0000000), wk = 0.0028902 k( 42) = ( 0.2597936 0.2982552 0.0000000), wk = 0.0028902 k( 43) = ( 0.2381441 0.3150672 0.0000000), wk = 0.0028902 k( 44) = ( 0.2164947 0.3318793 -0.0000000), wk = 0.0028902 k( 45) = ( 0.1948452 0.3486914 -0.0000000), wk = 0.0028902 k( 46) = ( 0.1731957 0.3655034 0.0000000), wk = 0.0028902 k( 47) = ( 0.1515463 0.3823155 0.0000000), wk = 0.0028902 k( 48) = ( 0.1298968 0.3991276 0.0000000), wk = 0.0028902 k( 49) = ( 0.1082473 0.4159396 -0.0000000), wk = 0.0028902 k( 50) = ( 0.0865979 0.4327517 0.0000000), wk = 0.0028902 k( 51) = ( 0.0649484 0.4495638 0.0000000), wk = 0.0028902 k( 52) = ( 0.0432989 0.4663759 0.0000000), wk = 0.0028902 k( 53) = ( 0.0216495 0.4831879 0.0000000), wk = 0.0028902 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028902 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028902 k( 56) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0028902 k( 57) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0028902 k( 58) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0028902 k( 59) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0028902 k( 60) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028902 k( 61) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028902 k( 62) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0028902 k( 63) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0028902 k( 64) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0028902 k( 65) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028902 k( 66) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0028902 k( 67) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028902 k( 68) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0028902 k( 69) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0028902 k( 70) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028902 k( 71) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0028902 k( 72) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0028902 k( 73) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028902 k( 74) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0028902 k( 75) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028902 k( 76) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0028902 k( 77) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0028902 k( 78) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0028902 k( 79) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028902 k( 80) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028902 k( 81) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0028902 k( 82) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0028902 k( 83) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0028902 k( 84) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0028902 k( 85) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 86) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 87) = ( 0.0216495 0.4831879 0.5000000), wk = 0.0028902 k( 88) = ( 0.0432989 0.4663759 0.5000000), wk = 0.0028902 k( 89) = ( 0.0649484 0.4495638 0.5000000), wk = 0.0028902 k( 90) = ( 0.0865979 0.4327517 0.5000000), wk = 0.0028902 k( 91) = ( 0.1082473 0.4159396 0.5000000), wk = 0.0028902 k( 92) = ( 0.1298968 0.3991276 0.5000000), wk = 0.0028902 k( 93) = ( 0.1515463 0.3823155 0.5000000), wk = 0.0028902 k( 94) = ( 0.1731957 0.3655034 0.5000000), wk = 0.0028902 k( 95) = ( 0.1948452 0.3486914 0.5000000), wk = 0.0028902 k( 96) = ( 0.2164947 0.3318793 0.5000000), wk = 0.0028902 k( 97) = ( 0.2381441 0.3150672 0.5000000), wk = 0.0028902 k( 98) = ( 0.2597936 0.2982552 0.5000000), wk = 0.0028902 k( 99) = ( 0.2814431 0.2814431 0.5000000), wk = 0.0028902 k( 100) = ( 0.2814431 0.2814431 0.5000000), wk = 0.0028902 k( 101) = ( 0.2742266 0.2742266 0.5000000), wk = 0.0028902 k( 102) = ( 0.2670101 0.2670101 0.5000000), wk = 0.0028902 k( 103) = ( 0.2597936 0.2597936 0.5000000), wk = 0.0028902 k( 104) = ( 0.2525771 0.2525771 0.5000000), wk = 0.0028902 k( 105) = ( 0.2453606 0.2453606 0.5000000), wk = 0.0028902 k( 106) = ( 0.2381441 0.2381441 0.5000000), wk = 0.0028902 k( 107) = ( 0.2309277 0.2309277 0.5000000), wk = 0.0028902 k( 108) = ( 0.2237112 0.2237112 0.5000000), wk = 0.0028902 k( 109) = ( 0.2164947 0.2164947 0.5000000), wk = 0.0028902 k( 110) = ( 0.2092782 0.2092782 0.5000000), wk = 0.0028902 k( 111) = ( 0.2020617 0.2020617 0.5000000), wk = 0.0028902 k( 112) = ( 0.1948452 0.1948452 0.5000000), wk = 0.0028902 k( 113) = ( 0.1876287 0.1876287 0.5000000), wk = 0.0028902 k( 114) = ( 0.1804122 0.1804122 0.5000000), wk = 0.0028902 k( 115) = ( 0.1731957 0.1731957 0.5000000), wk = 0.0028902 k( 116) = ( 0.1659793 0.1659793 0.5000000), wk = 0.0028902 k( 117) = ( 0.1587628 0.1587628 0.5000000), wk = 0.0028902 k( 118) = ( 0.1515463 0.1515463 0.5000000), wk = 0.0028902 k( 119) = ( 0.1443298 0.1443298 0.5000000), wk = 0.0028902 k( 120) = ( 0.1371133 0.1371133 0.5000000), wk = 0.0028902 k( 121) = ( 0.1298968 0.1298968 0.5000000), wk = 0.0028902 k( 122) = ( 0.1226803 0.1226803 0.5000000), wk = 0.0028902 k( 123) = ( 0.1154638 0.1154638 0.5000000), wk = 0.0028902 k( 124) = ( 0.1082473 0.1082473 0.5000000), wk = 0.0028902 k( 125) = ( 0.1010309 0.1010309 0.5000000), wk = 0.0028902 k( 126) = ( 0.0938144 0.0938144 0.5000000), wk = 0.0028902 k( 127) = ( 0.0865979 0.0865979 0.5000000), wk = 0.0028902 k( 128) = ( 0.0793814 0.0793814 0.5000000), wk = 0.0028902 k( 129) = ( 0.0721649 0.0721649 0.5000000), wk = 0.0028902 k( 130) = ( 0.0649484 0.0649484 0.5000000), wk = 0.0028902 k( 131) = ( 0.0577319 0.0577319 0.5000000), wk = 0.0028902 k( 132) = ( 0.0505154 0.0505154 0.5000000), wk = 0.0028902 k( 133) = ( 0.0432989 0.0432989 0.5000000), wk = 0.0028902 k( 134) = ( 0.0360825 0.0360825 0.5000000), wk = 0.0028902 k( 135) = ( 0.0288660 0.0288660 0.5000000), wk = 0.0028902 k( 136) = ( 0.0216495 0.0216495 0.5000000), wk = 0.0028902 k( 137) = ( 0.0144330 0.0144330 0.5000000), wk = 0.0028902 k( 138) = ( 0.0072165 0.0072165 0.5000000), wk = 0.0028902 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 141) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0028902 k( 142) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028902 k( 165) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028902 k( 166) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028902 k( 167) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028902 k( 168) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028902 k( 169) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0028902 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 172) = ( -0.0200000 0.0200000 0.0000000), wk = 0.0028902 k( 173) = ( -0.0400000 0.0400000 0.0000000), wk = 0.0028902 k( 174) = ( -0.0600000 0.0600000 0.0000000), wk = 0.0028902 k( 175) = ( -0.0800000 0.0800000 0.0000000), wk = 0.0028902 k( 176) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0028902 k( 177) = ( -0.1200000 0.1200000 0.0000000), wk = 0.0028902 k( 178) = ( -0.1400000 0.1400000 0.0000000), wk = 0.0028902 k( 179) = ( -0.1600000 0.1600000 0.0000000), wk = 0.0028902 k( 180) = ( -0.1800000 0.1800000 0.0000000), wk = 0.0028902 k( 181) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0028902 k( 182) = ( -0.2200000 0.2200000 0.0000000), wk = 0.0028902 k( 183) = ( -0.2400000 0.2400000 0.0000000), wk = 0.0028902 k( 184) = ( -0.2600000 0.2600000 0.0000000), wk = 0.0028902 k( 185) = ( -0.2800000 0.2800000 0.0000000), wk = 0.0028902 k( 186) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0028902 k( 187) = ( -0.3200000 0.3200000 0.0000000), wk = 0.0028902 k( 188) = ( -0.3400000 0.3400000 0.0000000), wk = 0.0028902 k( 189) = ( -0.3600000 0.3600000 0.0000000), wk = 0.0028902 k( 190) = ( -0.3800000 0.3800000 0.0000000), wk = 0.0028902 k( 191) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0028902 k( 192) = ( -0.4200000 0.4200000 0.0000000), wk = 0.0028902 k( 193) = ( -0.4400000 0.4400000 0.0000000), wk = 0.0028902 k( 194) = ( -0.4600000 0.4600000 0.0000000), wk = 0.0028902 k( 195) = ( -0.4800000 0.4800000 0.0000000), wk = 0.0028902 k( 196) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 197) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 198) = ( -0.4927148 0.5072852 0.0000000), wk = 0.0028902 k( 199) = ( -0.4854295 0.5145705 0.0000000), wk = 0.0028902 k( 200) = ( -0.4781443 0.5218557 0.0000000), wk = 0.0028902 k( 201) = ( -0.4708591 0.5291409 0.0000000), wk = 0.0028902 k( 202) = ( -0.4635739 0.5364262 0.0000000), wk = 0.0028902 k( 203) = ( -0.4562886 0.5437114 0.0000000), wk = 0.0028902 k( 204) = ( -0.4490034 0.5509966 0.0000000), wk = 0.0028902 k( 205) = ( -0.4417182 0.5582818 0.0000000), wk = 0.0028902 k( 206) = ( -0.4344329 0.5655671 0.0000000), wk = 0.0028902 k( 207) = ( -0.4271477 0.5728523 0.0000000), wk = 0.0028902 k( 208) = ( -0.4198625 0.5801375 0.0000000), wk = 0.0028902 k( 209) = ( -0.4125772 0.5874228 0.0000000), wk = 0.0028902 k( 210) = ( -0.4052920 0.5947080 0.0000000), wk = 0.0028902 k( 211) = ( -0.3980068 0.6019932 0.0000000), wk = 0.0028902 k( 212) = ( -0.3907215 0.6092785 0.0000000), wk = 0.0028902 k( 213) = ( -0.3834363 0.6165637 0.0000000), wk = 0.0028902 k( 214) = ( -0.3761511 0.6238489 0.0000000), wk = 0.0028902 k( 215) = ( -0.3688658 0.6311341 0.0000000), wk = 0.0028902 k( 216) = ( -0.3615806 0.6384194 0.0000000), wk = 0.0028902 k( 217) = ( -0.3542954 0.6457046 0.0000000), wk = 0.0028902 k( 218) = ( -0.3470102 0.6529898 0.0000000), wk = 0.0028902 k( 219) = ( -0.3397249 0.6602751 0.0000000), wk = 0.0028902 k( 220) = ( -0.3324397 0.6675603 0.0000000), wk = 0.0028902 k( 221) = ( -0.3251545 0.6748455 0.0000000), wk = 0.0028902 k( 222) = ( -0.3178692 0.6821308 0.0000000), wk = 0.0028902 k( 223) = ( -0.3105840 0.6894160 0.0000000), wk = 0.0028902 k( 224) = ( -0.3032988 0.6967012 0.0000000), wk = 0.0028902 k( 225) = ( -0.2960136 0.7039865 0.0000000), wk = 0.0028902 k( 226) = ( -0.2887283 0.7112717 0.0000000), wk = 0.0028902 k( 227) = ( -0.2814431 0.7185569 0.0000000), wk = 0.0028902 k( 228) = ( -0.2814431 0.7185569 0.0000000), wk = 0.0028902 k( 229) = ( -0.2814431 0.7185569 0.0166667), wk = 0.0028902 k( 230) = ( -0.2814431 0.7185569 0.0333333), wk = 0.0028902 k( 231) = ( -0.2814431 0.7185569 0.0500000), wk = 0.0028902 k( 232) = ( -0.2814431 0.7185569 0.0666667), wk = 0.0028902 k( 233) = ( -0.2814431 0.7185569 0.0833333), wk = 0.0028902 k( 234) = ( -0.2814431 0.7185569 0.1000000), wk = 0.0028902 k( 235) = ( -0.2814431 0.7185569 0.1166667), wk = 0.0028902 k( 236) = ( -0.2814431 0.7185569 0.1333333), wk = 0.0028902 k( 237) = ( -0.2814431 0.7185569 0.1500000), wk = 0.0028902 k( 238) = ( -0.2814431 0.7185569 0.1666667), wk = 0.0028902 k( 239) = ( -0.2814431 0.7185569 0.1833333), wk = 0.0028902 k( 240) = ( -0.2814431 0.7185569 0.2000000), wk = 0.0028902 k( 241) = ( -0.2814431 0.7185569 0.2166667), wk = 0.0028902 k( 242) = ( -0.2814431 0.7185569 0.2333333), wk = 0.0028902 k( 243) = ( -0.2814431 0.7185569 0.2500000), wk = 0.0028902 k( 244) = ( -0.2814431 0.7185569 0.2666667), wk = 0.0028902 k( 245) = ( -0.2814431 0.7185569 0.2833333), wk = 0.0028902 k( 246) = ( -0.2814431 0.7185569 0.3000000), wk = 0.0028902 k( 247) = ( -0.2814431 0.7185569 0.3166667), wk = 0.0028902 k( 248) = ( -0.2814431 0.7185569 0.3333333), wk = 0.0028902 k( 249) = ( -0.2814431 0.7185569 0.3500000), wk = 0.0028902 k( 250) = ( -0.2814431 0.7185569 0.3666667), wk = 0.0028902 k( 251) = ( -0.2814431 0.7185569 0.3833333), wk = 0.0028902 k( 252) = ( -0.2814431 0.7185569 0.4000000), wk = 0.0028902 k( 253) = ( -0.2814431 0.7185569 0.4166667), wk = 0.0028902 k( 254) = ( -0.2814431 0.7185569 0.4333333), wk = 0.0028902 k( 255) = ( -0.2814431 0.7185569 0.4500000), wk = 0.0028902 k( 256) = ( -0.2814431 0.7185569 0.4666667), wk = 0.0028902 k( 257) = ( -0.2814431 0.7185569 0.4833333), wk = 0.0028902 k( 258) = ( -0.2814431 0.7185569 0.5000000), wk = 0.0028902 k( 259) = ( -0.2814431 0.7185569 0.5000000), wk = 0.0028902 k( 260) = ( -0.2887283 0.7112717 0.5000000), wk = 0.0028902 k( 261) = ( -0.2960136 0.7039865 0.5000000), wk = 0.0028902 k( 262) = ( -0.3032988 0.6967012 0.5000000), wk = 0.0028902 k( 263) = ( -0.3105840 0.6894160 0.5000000), wk = 0.0028902 k( 264) = ( -0.3178692 0.6821308 0.5000000), wk = 0.0028902 k( 265) = ( -0.3251545 0.6748455 0.5000000), wk = 0.0028902 k( 266) = ( -0.3324397 0.6675603 0.5000000), wk = 0.0028902 k( 267) = ( -0.3397249 0.6602751 0.5000000), wk = 0.0028902 k( 268) = ( -0.3470102 0.6529898 0.5000000), wk = 0.0028902 k( 269) = ( -0.3542954 0.6457046 0.5000000), wk = 0.0028902 k( 270) = ( -0.3615806 0.6384194 0.5000000), wk = 0.0028902 k( 271) = ( -0.3688658 0.6311341 0.5000000), wk = 0.0028902 k( 272) = ( -0.3761511 0.6238489 0.5000000), wk = 0.0028902 k( 273) = ( -0.3834363 0.6165637 0.5000000), wk = 0.0028902 k( 274) = ( -0.3907215 0.6092785 0.5000000), wk = 0.0028902 k( 275) = ( -0.3980068 0.6019932 0.5000000), wk = 0.0028902 k( 276) = ( -0.4052920 0.5947080 0.5000000), wk = 0.0028902 k( 277) = ( -0.4125772 0.5874228 0.5000000), wk = 0.0028902 k( 278) = ( -0.4198625 0.5801375 0.5000000), wk = 0.0028902 k( 279) = ( -0.4271477 0.5728523 0.5000000), wk = 0.0028902 k( 280) = ( -0.4344329 0.5655671 0.5000000), wk = 0.0028902 k( 281) = ( -0.4417182 0.5582818 0.5000000), wk = 0.0028902 k( 282) = ( -0.4490034 0.5509966 0.5000000), wk = 0.0028902 k( 283) = ( -0.4562886 0.5437114 0.5000000), wk = 0.0028902 k( 284) = ( -0.4635739 0.5364262 0.5000000), wk = 0.0028902 k( 285) = ( -0.4708591 0.5291409 0.5000000), wk = 0.0028902 k( 286) = ( -0.4781443 0.5218557 0.5000000), wk = 0.0028902 k( 287) = ( -0.4854295 0.5145705 0.5000000), wk = 0.0028902 k( 288) = ( -0.4927148 0.5072852 0.5000000), wk = 0.0028902 k( 289) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 290) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 291) = ( -0.5000000 0.5000000 0.4833333), wk = 0.0028902 k( 292) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0028902 k( 293) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0028902 k( 294) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0028902 k( 295) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0028902 k( 296) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0028902 k( 297) = ( -0.5000000 0.5000000 0.3833333), wk = 0.0028902 k( 298) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0028902 k( 299) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0028902 k( 300) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0028902 k( 301) = ( -0.5000000 0.5000000 0.3166667), wk = 0.0028902 k( 302) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0028902 k( 303) = ( -0.5000000 0.5000000 0.2833333), wk = 0.0028902 k( 304) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0028902 k( 305) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0028902 k( 306) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0028902 k( 307) = ( -0.5000000 0.5000000 0.2166667), wk = 0.0028902 k( 308) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0028902 k( 309) = ( -0.5000000 0.5000000 0.1833333), wk = 0.0028902 k( 310) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0028902 k( 311) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0028902 k( 312) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0028902 k( 313) = ( -0.5000000 0.5000000 0.1166667), wk = 0.0028902 k( 314) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0028902 k( 315) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0028902 k( 316) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0028902 k( 317) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0028902 k( 318) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0028902 k( 319) = ( -0.5000000 0.5000000 0.0166667), wk = 0.0028902 k( 320) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 321) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 322) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0028902 k( 323) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0028902 k( 324) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0028902 k( 325) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0028902 k( 326) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0028902 k( 327) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0028902 k( 328) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0028902 k( 329) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0028902 k( 330) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0028902 k( 331) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0028902 k( 332) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0028902 k( 333) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0028902 k( 334) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0028902 k( 335) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0028902 k( 336) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0028902 k( 337) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0028902 k( 338) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0028902 k( 339) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0028902 k( 340) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0028902 k( 341) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0028902 k( 342) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0028902 k( 343) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0028902 k( 344) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0028902 k( 345) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0028902 k( 346) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028902 Dense grid: 54209 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 42757 G-vectors FFT dimensions: ( 60, 60, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 302, 48) NL pseudopotentials 0.31 Mb ( 151, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1507) G-vector shells 0.01 Mb ( 778) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 302, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./TlI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.3 secs Computing kpt #: 17 total cpu time spent up to now is 11.8 secs Computing kpt #: 18 total cpu time spent up to now is 12.3 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.3 secs Computing kpt #: 21 total cpu time spent up to now is 13.8 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.2 secs Computing kpt #: 25 total cpu time spent up to now is 15.7 secs Computing kpt #: 26 total cpu time spent up to now is 16.2 secs Computing kpt #: 27 total cpu time spent up to now is 16.7 secs Computing kpt #: 28 total cpu time spent up to now is 17.1 secs Computing kpt #: 29 total cpu time spent up to now is 17.6 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.5 secs Computing kpt #: 32 total cpu time spent up to now is 19.0 secs Computing kpt #: 33 total cpu time spent up to now is 19.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.9 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 20.8 secs Computing kpt #: 37 total cpu time spent up to now is 21.3 secs Computing kpt #: 38 total cpu time spent up to now is 21.8 secs Computing kpt #: 39 total cpu time spent up to now is 22.2 secs Computing kpt #: 40 total cpu time spent up to now is 22.7 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.6 secs Computing kpt #: 43 total cpu time spent up to now is 24.0 secs Computing kpt #: 44 total cpu time spent up to now is 24.5 secs Computing kpt #: 45 total cpu time spent up to now is 25.0 secs Computing kpt #: 46 total cpu time spent up to now is 25.4 secs Computing kpt #: 47 total cpu time spent up to now is 25.9 secs Computing kpt #: 48 total cpu time spent up to now is 26.3 secs Computing kpt #: 49 total cpu time spent up to now is 26.8 secs Computing kpt #: 50 total cpu time spent up to now is 27.3 secs Computing kpt #: 51 total cpu time spent up to now is 27.7 secs Computing kpt #: 52 total cpu time spent up to now is 28.2 secs Computing kpt #: 53 total cpu time spent up to now is 28.6 secs Computing kpt #: 54 total cpu time spent up to now is 29.1 secs Computing kpt #: 55 total cpu time spent up to now is 29.5 secs Computing kpt #: 56 total cpu time spent up to now is 30.0 secs Computing kpt #: 57 total cpu time spent up to now is 30.4 secs Computing kpt #: 58 total cpu time spent up to now is 30.9 secs Computing kpt #: 59 total cpu time spent up to now is 31.4 secs Computing kpt #: 60 total cpu time spent up to now is 31.8 secs Computing kpt #: 61 total cpu time spent up to now is 32.3 secs Computing kpt #: 62 total cpu time spent up to now is 32.8 secs Computing kpt #: 63 total cpu time spent up to now is 33.3 secs Computing kpt #: 64 total cpu time spent up to now is 33.7 secs Computing kpt #: 65 total cpu time spent up to now is 34.2 secs Computing kpt #: 66 total cpu time spent up to now is 34.7 secs Computing kpt #: 67 total cpu time spent up to now is 35.1 secs Computing kpt #: 68 total cpu time spent up to now is 35.6 secs Computing kpt #: 69 total cpu time spent up to now is 36.1 secs Computing kpt #: 70 total cpu time spent up to now is 36.5 secs Computing kpt #: 71 total cpu time spent up to now is 37.0 secs Computing kpt #: 72 total cpu time spent up to now is 37.5 secs Computing kpt #: 73 total cpu time spent up to now is 38.0 secs Computing kpt #: 74 total cpu time spent up to now is 38.5 secs Computing kpt #: 75 total cpu time spent up to now is 38.9 secs Computing kpt #: 76 total cpu time spent up to now is 39.4 secs Computing kpt #: 77 total cpu time spent up to now is 39.9 secs Computing kpt #: 78 total cpu time spent up to now is 40.4 secs Computing kpt #: 79 total cpu time spent up to now is 40.9 secs Computing kpt #: 80 total cpu time spent up to now is 41.4 secs Computing kpt #: 81 total cpu time spent up to now is 41.9 secs Computing kpt #: 82 total cpu time spent up to now is 42.4 secs Computing kpt #: 83 total cpu time spent up to now is 42.9 secs Computing kpt #: 84 total cpu time spent up to now is 43.4 secs Computing kpt #: 85 total cpu time spent up to now is 43.9 secs Computing kpt #: 86 total cpu time spent up to now is 44.4 secs Computing kpt #: 87 total cpu time spent up to now is 44.8 secs Computing kpt #: 88 total cpu time spent up to now is 45.4 secs Computing kpt #: 89 total cpu time spent up to now is 45.8 secs Computing kpt #: 90 total cpu time spent up to now is 46.3 secs Computing kpt #: 91 total cpu time spent up to now is 46.8 secs Computing kpt #: 92 total cpu time spent up to now is 47.3 secs Computing kpt #: 93 total cpu time spent up to now is 47.8 secs Computing kpt #: 94 total cpu time spent up to now is 48.3 secs Computing kpt #: 95 total cpu time spent up to now is 48.8 secs Computing kpt #: 96 total cpu time spent up to now is 49.3 secs Computing kpt #: 97 total cpu time spent up to now is 49.8 secs Computing kpt #: 98 total cpu time spent up to now is 50.3 secs Computing kpt #: 99 total cpu time spent up to now is 50.8 secs Computing kpt #: 100 total cpu time spent up to now is 51.3 secs Computing kpt #: 101 total cpu time spent up to now is 51.8 secs Computing kpt #: 102 total cpu time spent up to now is 52.3 secs Computing kpt #: 103 total cpu time spent up to now is 52.8 secs Computing kpt #: 104 total cpu time spent up to now is 53.3 secs Computing kpt #: 105 total cpu time spent up to now is 53.8 secs Computing kpt #: 106 total cpu time spent up to now is 54.3 secs Computing kpt #: 107 total cpu time spent up to now is 54.8 secs Computing kpt #: 108 total cpu time spent up to now is 55.3 secs Computing kpt #: 109 total cpu time spent up to now is 55.8 secs Computing kpt #: 110 total cpu time spent up to now is 56.4 secs Computing kpt #: 111 total cpu time spent up to now is 57.0 secs Computing kpt #: 112 total cpu time spent up to now is 57.5 secs Computing kpt #: 113 total cpu time spent up to now is 58.0 secs Computing kpt #: 114 total cpu time spent up to now is 58.5 secs Computing kpt #: 115 total cpu time spent up to now is 59.0 secs Computing kpt #: 116 total cpu time spent up to now is 59.5 secs Computing kpt #: 117 total cpu time spent up to now is 60.0 secs Computing kpt #: 118 total cpu time spent up to now is 60.5 secs Computing kpt #: 119 total cpu time spent up to now is 60.9 secs Computing kpt #: 120 total cpu time spent up to now is 61.4 secs Computing kpt #: 121 total cpu time spent up to now is 61.9 secs Computing kpt #: 122 total cpu time spent up to now is 62.4 secs Computing kpt #: 123 total cpu time spent up to now is 62.9 secs Computing kpt #: 124 total cpu time spent up to now is 63.8 secs Computing kpt #: 125 total cpu time spent up to now is 64.3 secs Computing kpt #: 126 total cpu time spent up to now is 64.8 secs Computing kpt #: 127 total cpu time spent up to now is 65.3 secs Computing kpt #: 128 total cpu time spent up to now is 65.8 secs Computing kpt #: 129 total cpu time spent up to now is 66.3 secs Computing kpt #: 130 total cpu time spent up to now is 66.8 secs Computing kpt #: 131 total cpu time spent up to now is 67.2 secs Computing kpt #: 132 total cpu time spent up to now is 67.7 secs Computing kpt #: 133 total cpu time spent up to now is 68.2 secs Computing kpt #: 134 total cpu time spent up to now is 68.7 secs Computing kpt #: 135 total cpu time spent up to now is 69.2 secs Computing kpt #: 136 total cpu time spent up to now is 69.7 secs Computing kpt #: 137 total cpu time spent up to now is 70.1 secs Computing kpt #: 138 total cpu time spent up to now is 70.6 secs Computing kpt #: 139 total cpu time spent up to now is 71.1 secs Computing kpt #: 140 total cpu time spent up to now is 71.6 secs Computing kpt #: 141 total cpu time spent up to now is 72.1 secs Computing kpt #: 142 total cpu time spent up to now is 72.6 secs Computing kpt #: 143 total cpu time spent up to now is 73.1 secs Computing kpt #: 144 total cpu time spent up to now is 73.5 secs Computing kpt #: 145 total cpu time spent up to now is 74.0 secs Computing kpt #: 146 total cpu time spent up to now is 74.5 secs Computing kpt #: 147 total cpu time spent up to now is 75.0 secs Computing kpt #: 148 total cpu time spent up to now is 75.5 secs Computing kpt #: 149 total cpu time spent up to now is 76.0 secs Computing kpt #: 150 total cpu time spent up to now is 76.4 secs Computing kpt #: 151 total cpu time spent up to now is 76.9 secs Computing kpt #: 152 total cpu time spent up to now is 77.4 secs Computing kpt #: 153 total cpu time spent up to now is 77.9 secs Computing kpt #: 154 total cpu time spent up to now is 78.4 secs Computing kpt #: 155 total cpu time spent up to now is 79.0 secs Computing kpt #: 156 total cpu time spent up to now is 79.5 secs Computing kpt #: 157 total cpu time spent up to now is 80.0 secs Computing kpt #: 158 total cpu time spent up to now is 80.5 secs Computing kpt #: 159 total cpu time spent up to now is 81.1 secs Computing kpt #: 160 total cpu time spent up to now is 81.8 secs Computing kpt #: 161 total cpu time spent up to now is 82.4 secs Computing kpt #: 162 total cpu time spent up to now is 83.0 secs Computing kpt #: 163 total cpu time spent up to now is 83.5 secs Computing kpt #: 164 total cpu time spent up to now is 84.1 secs Computing kpt #: 165 total cpu time spent up to now is 84.7 secs Computing kpt #: 166 total cpu time spent up to now is 85.3 secs Computing kpt #: 167 total cpu time spent up to now is 85.9 secs Computing kpt #: 168 total cpu time spent up to now is 86.5 secs Computing kpt #: 169 total cpu time spent up to now is 87.2 secs Computing kpt #: 170 total cpu time spent up to now is 87.8 secs Computing kpt #: 171 total cpu time spent up to now is 88.4 secs Computing kpt #: 172 total cpu time spent up to now is 89.0 secs Computing kpt #: 173 total cpu time spent up to now is 89.6 secs Computing kpt #: 174 total cpu time spent up to now is 90.3 secs Computing kpt #: 175 total cpu time spent up to now is 90.9 secs Computing kpt #: 176 total cpu time spent up to now is 91.5 secs Computing kpt #: 177 total cpu time spent up to now is 92.1 secs Computing kpt #: 178 total cpu time spent up to now is 92.7 secs Computing kpt #: 179 total cpu time spent up to now is 93.3 secs Computing kpt #: 180 total cpu time spent up to now is 93.9 secs Computing kpt #: 181 total cpu time spent up to now is 94.5 secs Computing kpt #: 182 total cpu time spent up to now is 95.0 secs Computing kpt #: 183 total cpu time spent up to now is 95.5 secs Computing kpt #: 184 total cpu time spent up to now is 96.0 secs Computing kpt #: 185 total cpu time spent up to now is 96.5 secs Computing kpt #: 186 total cpu time spent up to now is 97.0 secs Computing kpt #: 187 total cpu time spent up to now is 97.5 secs Computing kpt #: 188 total cpu time spent up to now is 98.1 secs Computing kpt #: 189 total cpu time spent up to now is 98.8 secs Computing kpt #: 190 total cpu time spent up to now is 99.3 secs Computing kpt #: 191 total cpu time spent up to now is 99.9 secs Computing kpt #: 192 total cpu time spent up to now is 100.5 secs Computing kpt #: 193 total cpu time spent up to now is 101.1 secs Computing kpt #: 194 total cpu time spent up to now is 101.7 secs Computing kpt #: 195 total cpu time spent up to now is 102.3 secs Computing kpt #: 196 total cpu time spent up to now is 102.8 secs Computing kpt #: 197 total cpu time spent up to now is 103.3 secs Computing kpt #: 198 total cpu time spent up to now is 103.9 secs Computing kpt #: 199 total cpu time spent up to now is 104.5 secs Computing kpt #: 200 total cpu time spent up to now is 105.1 secs Computing kpt #: 201 total cpu time spent up to now is 105.7 secs Computing kpt #: 202 total cpu time spent up to now is 106.2 secs Computing kpt #: 203 total cpu time spent up to now is 106.8 secs Computing kpt #: 204 total cpu time spent up to now is 107.4 secs Computing kpt #: 205 total cpu time spent up to now is 108.1 secs Computing kpt #: 206 total cpu time spent up to now is 108.6 secs Computing kpt #: 207 total cpu time spent up to now is 109.3 secs Computing kpt #: 208 total cpu time spent up to now is 109.8 secs Computing kpt #: 209 total cpu time spent up to now is 110.3 secs Computing kpt #: 210 total cpu time spent up to now is 110.8 secs Computing kpt #: 211 total cpu time spent up to now is 111.3 secs Computing kpt #: 212 total cpu time spent up to now is 111.8 secs Computing kpt #: 213 total cpu time spent up to now is 112.3 secs Computing kpt #: 214 total cpu time spent up to now is 112.7 secs Computing kpt #: 215 total cpu time spent up to now is 113.2 secs Computing kpt #: 216 total cpu time spent up to now is 113.7 secs Computing kpt #: 217 total cpu time spent up to now is 114.2 secs Computing kpt #: 218 total cpu time spent up to now is 114.6 secs Computing kpt #: 219 total cpu time spent up to now is 115.1 secs Computing kpt #: 220 total cpu time spent up to now is 115.5 secs Computing kpt #: 221 total cpu time spent up to now is 116.0 secs Computing kpt #: 222 total cpu time spent up to now is 116.5 secs Computing kpt #: 223 total cpu time spent up to now is 116.9 secs Computing kpt #: 224 total cpu time spent up to now is 117.4 secs Computing kpt #: 225 total cpu time spent up to now is 117.8 secs Computing kpt #: 226 total cpu time spent up to now is 118.3 secs Computing kpt #: 227 total cpu time spent up to now is 118.7 secs Computing kpt #: 228 total cpu time spent up to now is 119.2 secs Computing kpt #: 229 total cpu time spent up to now is 119.6 secs Computing kpt #: 230 total cpu time spent up to now is 120.1 secs Computing kpt #: 231 total cpu time spent up to now is 120.6 secs Computing kpt #: 232 total cpu time spent up to now is 121.0 secs Computing kpt #: 233 total cpu time spent up to now is 121.5 secs Computing kpt #: 234 total cpu time spent up to now is 122.0 secs Computing kpt #: 235 total cpu time spent up to now is 122.4 secs Computing kpt #: 236 total cpu time spent up to now is 122.9 secs Computing kpt #: 237 total cpu time spent up to now is 123.4 secs Computing kpt #: 238 total cpu time spent up to now is 123.9 secs Computing kpt #: 239 total cpu time spent up to now is 124.3 secs Computing kpt #: 240 total cpu time spent up to now is 124.8 secs Computing kpt #: 241 total cpu time spent up to now is 125.3 secs Computing kpt #: 242 total cpu time spent up to now is 125.8 secs Computing kpt #: 243 total cpu time spent up to now is 126.3 secs Computing kpt #: 244 total cpu time spent up to now is 126.7 secs Computing kpt #: 245 total cpu time spent up to now is 127.2 secs Computing kpt #: 246 total cpu time spent up to now is 127.7 secs Computing kpt #: 247 total cpu time spent up to now is 128.2 secs Computing kpt #: 248 total cpu time spent up to now is 128.7 secs Computing kpt #: 249 total cpu time spent up to now is 129.2 secs Computing kpt #: 250 total cpu time spent up to now is 129.6 secs Computing kpt #: 251 total cpu time spent up to now is 130.1 secs Computing kpt #: 252 total cpu time spent up to now is 130.6 secs Computing kpt #: 253 total cpu time spent up to now is 131.1 secs Computing kpt #: 254 total cpu time spent up to now is 131.6 secs Computing kpt #: 255 total cpu time spent up to now is 132.1 secs Computing kpt #: 256 total cpu time spent up to now is 132.6 secs Computing kpt #: 257 total cpu time spent up to now is 133.1 secs Computing kpt #: 258 total cpu time spent up to now is 133.9 secs Computing kpt #: 259 total cpu time spent up to now is 134.4 secs Computing kpt #: 260 total cpu time spent up to now is 134.9 secs Computing kpt #: 261 total cpu time spent up to now is 135.3 secs Computing kpt #: 262 total cpu time spent up to now is 135.8 secs Computing kpt #: 263 total cpu time spent up to now is 136.3 secs Computing kpt #: 264 total cpu time spent up to now is 136.8 secs Computing kpt #: 265 total cpu time spent up to now is 137.3 secs Computing kpt #: 266 total cpu time spent up to now is 137.8 secs Computing kpt #: 267 total cpu time spent up to now is 138.3 secs Computing kpt #: 268 total cpu time spent up to now is 138.8 secs Computing kpt #: 269 total cpu time spent up to now is 139.3 secs Computing kpt #: 270 total cpu time spent up to now is 139.7 secs Computing kpt #: 271 total cpu time spent up to now is 140.2 secs Computing kpt #: 272 total cpu time spent up to now is 140.7 secs Computing kpt #: 273 total cpu time spent up to now is 141.2 secs Computing kpt #: 274 total cpu time spent up to now is 141.7 secs Computing kpt #: 275 total cpu time spent up to now is 142.2 secs Computing kpt #: 276 total cpu time spent up to now is 142.7 secs Computing kpt #: 277 total cpu time spent up to now is 143.2 secs Computing kpt #: 278 total cpu time spent up to now is 143.7 secs Computing kpt #: 279 total cpu time spent up to now is 144.1 secs Computing kpt #: 280 total cpu time spent up to now is 144.6 secs Computing kpt #: 281 total cpu time spent up to now is 145.1 secs Computing kpt #: 282 total cpu time spent up to now is 145.6 secs Computing kpt #: 283 total cpu time spent up to now is 146.1 secs Computing kpt #: 284 total cpu time spent up to now is 146.6 secs Computing kpt #: 285 total cpu time spent up to now is 147.1 secs Computing kpt #: 286 total cpu time spent up to now is 147.6 secs Computing kpt #: 287 total cpu time spent up to now is 148.1 secs Computing kpt #: 288 total cpu time spent up to now is 148.6 secs Computing kpt #: 289 total cpu time spent up to now is 149.0 secs Computing kpt #: 290 total cpu time spent up to now is 149.5 secs Computing kpt #: 291 total cpu time spent up to now is 150.0 secs Computing kpt #: 292 total cpu time spent up to now is 150.5 secs Computing kpt #: 293 total cpu time spent up to now is 151.0 secs Computing kpt #: 294 total cpu time spent up to now is 151.5 secs Computing kpt #: 295 total cpu time spent up to now is 152.0 secs Computing kpt #: 296 total cpu time spent up to now is 152.4 secs Computing kpt #: 297 total cpu time spent up to now is 152.9 secs Computing kpt #: 298 total cpu time spent up to now is 153.4 secs Computing kpt #: 299 total cpu time spent up to now is 153.9 secs Computing kpt #: 300 total cpu time spent up to now is 154.4 secs Computing kpt #: 301 total cpu time spent up to now is 154.9 secs Computing kpt #: 302 total cpu time spent up to now is 155.4 secs Computing kpt #: 303 total cpu time spent up to now is 155.8 secs Computing kpt #: 304 total cpu time spent up to now is 156.3 secs Computing kpt #: 305 total cpu time spent up to now is 156.8 secs Computing kpt #: 306 total cpu time spent up to now is 157.3 secs Computing kpt #: 307 total cpu time spent up to now is 157.8 secs Computing kpt #: 308 total cpu time spent up to now is 158.3 secs Computing kpt #: 309 total cpu time spent up to now is 158.8 secs Computing kpt #: 310 total cpu time spent up to now is 159.3 secs Computing kpt #: 311 total cpu time spent up to now is 159.8 secs Computing kpt #: 312 total cpu time spent up to now is 160.3 secs Computing kpt #: 313 total cpu time spent up to now is 160.8 secs Computing kpt #: 314 total cpu time spent up to now is 161.4 secs Computing kpt #: 315 total cpu time spent up to now is 162.0 secs Computing kpt #: 316 total cpu time spent up to now is 162.6 secs Computing kpt #: 317 total cpu time spent up to now is 163.2 secs Computing kpt #: 318 total cpu time spent up to now is 163.8 secs Computing kpt #: 319 total cpu time spent up to now is 164.4 secs Computing kpt #: 320 total cpu time spent up to now is 165.0 secs Computing kpt #: 321 total cpu time spent up to now is 165.4 secs Computing kpt #: 322 total cpu time spent up to now is 165.9 secs Computing kpt #: 323 total cpu time spent up to now is 166.4 secs Computing kpt #: 324 total cpu time spent up to now is 166.9 secs Computing kpt #: 325 total cpu time spent up to now is 167.4 secs Computing kpt #: 326 total cpu time spent up to now is 167.9 secs Computing kpt #: 327 total cpu time spent up to now is 169.0 secs Computing kpt #: 328 total cpu time spent up to now is 169.4 secs Computing kpt #: 329 total cpu time spent up to now is 169.9 secs Computing kpt #: 330 total cpu time spent up to now is 170.4 secs Computing kpt #: 331 total cpu time spent up to now is 170.9 secs Computing kpt #: 332 total cpu time spent up to now is 171.4 secs Computing kpt #: 333 total cpu time spent up to now is 171.9 secs Computing kpt #: 334 total cpu time spent up to now is 172.4 secs Computing kpt #: 335 total cpu time spent up to now is 172.9 secs Computing kpt #: 336 total cpu time spent up to now is 173.3 secs Computing kpt #: 337 total cpu time spent up to now is 173.8 secs Computing kpt #: 338 total cpu time spent up to now is 174.3 secs Computing kpt #: 339 total cpu time spent up to now is 174.8 secs Computing kpt #: 340 total cpu time spent up to now is 175.3 secs Computing kpt #: 341 total cpu time spent up to now is 175.7 secs Computing kpt #: 342 total cpu time spent up to now is 176.2 secs Computing kpt #: 343 total cpu time spent up to now is 176.7 secs Computing kpt #: 344 total cpu time spent up to now is 177.2 secs Computing kpt #: 345 total cpu time spent up to now is 177.7 secs Computing kpt #: 346 total cpu time spent up to now is 178.2 secs ethr = 2.50E-08, avg # of iterations = 17.6 total cpu time spent up to now is 178.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5359 PWs) bands (ev): -7.1139 -7.1139 -6.9911 -6.9911 -6.7376 -6.7376 -6.7260 -6.7260 -6.7202 -6.7202 -6.3876 -6.3876 -4.5860 -4.5860 -4.5636 -4.5636 -4.5460 -4.5460 -4.5118 -4.5118 -4.5118 -4.5118 -4.4275 -4.4275 0.3084 0.3084 0.7352 0.7352 1.7220 1.7220 2.2854 2.2854 2.8756 2.8756 3.5486 3.5486 3.8153 3.8153 4.1055 4.1055 8.7820 8.7820 8.9242 8.9242 9.5420 9.5420 10.0233 10.0233 k = 0.0072 0.0203-0.0000 ( 5357 PWs) bands (ev): -7.1135 -7.1135 -6.9908 -6.9908 -6.7376 -6.7376 -6.7260 -6.7260 -6.7202 -6.7202 -6.3877 -6.3877 -4.5860 -4.5860 -4.5636 -4.5636 -4.5461 -4.5461 -4.5122 -4.5122 -4.5114 -4.5114 -4.4276 -4.4276 0.3062 0.3062 0.7345 0.7345 1.7224 1.7224 2.2866 2.2866 2.8772 2.8772 3.5480 3.5480 3.8168 3.8168 4.1061 4.1061 8.7619 8.7619 8.9328 8.9328 9.5406 9.5406 10.0266 10.0266 k = 0.0144 0.0407-0.0000 ( 5341 PWs) bands (ev): -7.1121 -7.1121 -6.9901 -6.9901 -6.7376 -6.7376 -6.7260 -6.7260 -6.7201 -6.7201 -6.3880 -6.3880 -4.5860 -4.5860 -4.5635 -4.5635 -4.5461 -4.5461 -4.5128 -4.5128 -4.5111 -4.5111 -4.4279 -4.4279 0.2994 0.2994 0.7325 0.7325 1.7237 1.7237 2.2901 2.2901 2.8820 2.8820 3.5463 3.5463 3.8214 3.8214 4.1080 4.1080 8.7128 8.7128 8.9477 8.9477 9.5364 9.5364 10.0359 10.0359 k = 0.0216 0.0610-0.0000 ( 5341 PWs) bands (ev): -7.1098 -7.1098 -6.9889 -6.9889 -6.7376 -6.7376 -6.7259 -6.7259 -6.7201 -6.7201 -6.3883 -6.3883 -4.5860 -4.5860 -4.5634 -4.5634 -4.5462 -4.5462 -4.5134 -4.5134 -4.5109 -4.5109 -4.4285 -4.4285 0.2881 0.2881 0.7291 0.7291 1.7260 1.7260 2.2960 2.2960 2.8899 2.8899 3.5435 3.5435 3.8290 3.8290 4.1111 4.1111 8.6473 8.6473 8.9558 8.9558 9.5305 9.5305 10.0495 10.0495 k = 0.0289 0.0814-0.0000 ( 5345 PWs) bands (ev): -7.1066 -7.1066 -6.9872 -6.9872 -6.7376 -6.7376 -6.7259 -6.7259 -6.7202 -6.7202 -6.3889 -6.3889 -4.5860 -4.5860 -4.5632 -4.5632 -4.5463 -4.5463 -4.5140 -4.5140 -4.5107 -4.5107 -4.4292 -4.4292 0.2726 0.2726 0.7244 0.7244 1.7293 1.7293 2.3043 2.3043 2.9006 2.9006 3.5398 3.5398 3.8395 3.8395 4.1153 4.1153 8.5710 8.5710 8.9514 8.9514 9.5235 9.5235 10.0627 10.0627 k = 0.0361 0.1017-0.0000 ( 5345 PWs) bands (ev): -7.1025 -7.1025 -6.9851 -6.9851 -6.7376 -6.7376 -6.7258 -6.7258 -6.7202 -6.7202 -6.3896 -6.3896 -4.5860 -4.5860 -4.5630 -4.5630 -4.5465 -4.5465 -4.5147 -4.5147 -4.5107 -4.5107 -4.4302 -4.4302 0.2528 0.2528 0.7184 0.7184 1.7339 1.7339 2.3150 2.3150 2.9139 2.9139 3.5355 3.5355 3.8529 3.8529 4.1207 4.1207 8.4864 8.4864 8.9324 8.9324 9.5161 9.5161 10.0612 10.0612 k = 0.0433 0.1221-0.0000 ( 5347 PWs) bands (ev): -7.0975 -7.0975 -6.9825 -6.9825 -6.7376 -6.7376 -6.7257 -6.7257 -6.7202 -6.7202 -6.3905 -6.3905 -4.5861 -4.5861 -4.5627 -4.5627 -4.5467 -4.5467 -4.5155 -4.5155 -4.5106 -4.5106 -4.4314 -4.4314 0.2289 0.2289 0.7110 0.7110 1.7399 1.7399 2.3282 2.3282 2.9295 2.9295 3.5308 3.5308 3.8689 3.8689 4.1271 4.1271 8.3954 8.3954 8.8983 8.8983 9.5076 9.5076 10.0172 10.0172 k = 0.0505 0.1424-0.0000 ( 5353 PWs) bands (ev): -7.0917 -7.0917 -6.9795 -6.9795 -6.7376 -6.7376 -6.7256 -6.7256 -6.7202 -6.7202 -6.3916 -6.3916 -4.5861 -4.5861 -4.5625 -4.5625 -4.5470 -4.5470 -4.5162 -4.5162 -4.5107 -4.5107 -4.4328 -4.4328 0.2013 0.2013 0.7023 0.7023 1.7475 1.7475 2.3438 2.3438 2.9470 2.9470 3.5261 3.5261 3.8875 3.8875 4.1345 4.1345 8.2990 8.2990 8.8500 8.8500 9.4970 9.4970 9.9331 9.9331 k = 0.0577 0.1628-0.0000 ( 5357 PWs) bands (ev): -7.0851 -7.0851 -6.9761 -6.9761 -6.7376 -6.7376 -6.7255 -6.7255 -6.7201 -6.7201 -6.3928 -6.3928 -4.5861 -4.5861 -4.5622 -4.5622 -4.5474 -4.5474 -4.5170 -4.5170 -4.5107 -4.5107 -4.4344 -4.4344 0.1702 0.1702 0.6923 0.6923 1.7568 1.7568 2.3618 2.3618 2.9661 2.9661 3.5216 3.5216 3.9083 3.9083 4.1428 4.1428 8.1984 8.1984 8.7891 8.7891 9.4820 9.4820 9.8320 9.8320 k = 0.0649 0.1831-0.0000 ( 5345 PWs) bands (ev): -7.0778 -7.0778 -6.9722 -6.9722 -6.7376 -6.7376 -6.7254 -6.7254 -6.7201 -6.7201 -6.3942 -6.3942 -4.5861 -4.5861 -4.5620 -4.5620 -4.5478 -4.5478 -4.5178 -4.5178 -4.5108 -4.5108 -4.4362 -4.4362 0.1358 0.1358 0.6812 0.6812 1.7680 1.7680 2.3822 2.3822 2.9865 2.9865 3.5177 3.5177 3.9310 3.9310 4.1522 4.1522 8.0946 8.0946 8.7176 8.7176 9.4605 9.4605 9.7244 9.7244 k = 0.0722 0.2035-0.0000 ( 5369 PWs) bands (ev): -7.0698 -7.0698 -6.9680 -6.9680 -6.7376 -6.7376 -6.7252 -6.7252 -6.7201 -6.7201 -6.3959 -6.3959 -4.5861 -4.5861 -4.5618 -4.5618 -4.5483 -4.5483 -4.5185 -4.5185 -4.5109 -4.5109 -4.4382 -4.4382 0.0985 0.0985 0.6688 0.6688 1.7812 1.7812 2.4050 2.4050 3.0078 3.0078 3.5146 3.5146 3.9554 3.9554 4.1626 4.1626 7.9884 7.9884 8.6375 8.6375 9.4294 9.4294 9.6156 9.6156 k = 0.0794 0.2238-0.0000 ( 5359 PWs) bands (ev): -7.0611 -7.0611 -6.9634 -6.9634 -6.7376 -6.7376 -6.7250 -6.7250 -6.7201 -6.7201 -6.3977 -6.3977 -4.5861 -4.5861 -4.5617 -4.5617 -4.5487 -4.5487 -4.5193 -4.5193 -4.5110 -4.5110 -4.4403 -4.4403 0.0586 0.0586 0.6553 0.6553 1.7963 1.7963 2.4301 2.4301 3.0298 3.0298 3.5127 3.5127 3.9807 3.9807 4.1744 4.1744 7.8806 7.8806 8.5505 8.5505 9.3833 9.3833 9.5118 9.5118 k = 0.0866 0.2442-0.0000 ( 5351 PWs) bands (ev): -7.0519 -7.0519 -6.9584 -6.9584 -6.7375 -6.7375 -6.7248 -6.7248 -6.7200 -6.7200 -6.3997 -6.3997 -4.5861 -4.5861 -4.5618 -4.5618 -4.5492 -4.5492 -4.5200 -4.5200 -4.5111 -4.5111 -4.4426 -4.4426 0.0165 0.0165 0.6409 0.6409 1.8135 1.8135 2.4575 2.4575 3.0522 3.0522 3.5120 3.5120 4.0066 4.0066 4.1877 4.1877 7.7719 7.7719 8.4582 8.4582 9.3120 9.3120 9.4239 9.4239 k = 0.0938 0.2645-0.0000 ( 5345 PWs) bands (ev): -7.0421 -7.0421 -6.9531 -6.9531 -6.7374 -6.7374 -6.7246 -6.7246 -6.7200 -6.7200 -6.4020 -6.4020 -4.5861 -4.5861 -4.5620 -4.5620 -4.5496 -4.5496 -4.5206 -4.5206 -4.5112 -4.5112 -4.4450 -4.4450 -0.0274 -0.0274 0.6255 0.6255 1.8328 1.8328 2.4870 2.4870 3.0748 3.0748 3.5130 3.5130 4.0321 4.0321 4.2030 4.2030 7.6631 7.6631 8.3623 8.3623 9.2144 9.2144 9.3544 9.3544 k = 0.1010 0.2849-0.0000 ( 5343 PWs) bands (ev): -7.0319 -7.0319 -6.9474 -6.9474 -6.7374 -6.7374 -6.7244 -6.7244 -6.7199 -6.7199 -6.4045 -6.4045 -4.5861 -4.5861 -4.5625 -4.5625 -4.5498 -4.5498 -4.5212 -4.5212 -4.5112 -4.5112 -4.4476 -4.4476 -0.0729 -0.0729 0.6093 0.6093 1.8541 1.8541 2.5187 2.5187 3.0975 3.0975 3.5156 3.5156 4.0564 4.0564 4.2209 4.2209 7.5549 7.5549 8.2638 8.2638 9.1042 9.1042 9.2910 9.2910 k = 0.1082 0.3052-0.0000 ( 5337 PWs) bands (ev): -7.0214 -7.0214 -6.9414 -6.9414 -6.7372 -6.7372 -6.7241 -6.7241 -6.7198 -6.7198 -6.4073 -6.4073 -4.5861 -4.5861 -4.5634 -4.5634 -4.5500 -4.5500 -4.5217 -4.5217 -4.5112 -4.5112 -4.4502 -4.4502 -0.1194 -0.1194 0.5924 0.5924 1.8774 1.8774 2.5523 2.5523 3.1199 3.1199 3.5200 3.5200 4.0787 4.0787 4.2418 4.2418 7.4478 7.4478 8.1639 8.1639 8.9900 8.9900 9.2269 9.2269 k = 0.1155 0.3256-0.0000 ( 5345 PWs) bands (ev): -7.0107 -7.0107 -6.9351 -6.9351 -6.7371 -6.7371 -6.7239 -6.7239 -6.7196 -6.7196 -6.4103 -6.4103 -4.5860 -4.5860 -4.5645 -4.5645 -4.5500 -4.5500 -4.5222 -4.5222 -4.5112 -4.5112 -4.4530 -4.4530 -0.1667 -0.1667 0.5750 0.5750 1.9026 1.9026 2.5878 2.5878 3.1420 3.1420 3.5263 3.5263 4.0983 4.0983 4.2660 4.2660 7.3424 7.3424 8.0635 8.0635 8.8751 8.8751 9.1605 9.1605 k = 0.1227 0.3459-0.0000 ( 5347 PWs) bands (ev): -6.9999 -6.9999 -6.9285 -6.9285 -6.7368 -6.7368 -6.7236 -6.7236 -6.7194 -6.7194 -6.4136 -6.4136 -4.5860 -4.5860 -4.5658 -4.5658 -4.5498 -4.5498 -4.5227 -4.5227 -4.5110 -4.5110 -4.4558 -4.4558 -0.2143 -0.2143 0.5571 0.5571 1.9296 1.9296 2.6250 2.6250 3.1637 3.1637 3.5345 3.5345 4.1150 4.1150 4.2933 4.2933 7.2395 7.2395 7.9635 7.9635 8.7610 8.7610 9.0924 9.0924 k = 0.1299 0.3663-0.0000 ( 5351 PWs) bands (ev): -6.9890 -6.9890 -6.9216 -6.9216 -6.7366 -6.7366 -6.7234 -6.7234 -6.7191 -6.7191 -6.4172 -6.4172 -4.5860 -4.5860 -4.5674 -4.5674 -4.5495 -4.5495 -4.5231 -4.5231 -4.5109 -4.5109 -4.4587 -4.4587 -0.2621 -0.2621 0.5390 0.5390 1.9583 1.9583 2.6638 2.6638 3.1846 3.1846 3.5446 3.5446 4.1288 4.1288 4.3231 4.3231 7.1394 7.1394 7.8646 7.8646 8.6485 8.6485 9.0232 9.0232 k = 0.1371 0.3866-0.0000 ( 5355 PWs) bands (ev): -6.9784 -6.9784 -6.9143 -6.9143 -6.7362 -6.7362 -6.7232 -6.7232 -6.7187 -6.7187 -6.4210 -6.4210 -4.5859 -4.5859 -4.5692 -4.5692 -4.5492 -4.5492 -4.5234 -4.5234 -4.5106 -4.5106 -4.4617 -4.4617 -0.3095 -0.3095 0.5209 0.5209 1.9885 1.9885 2.7040 2.7040 3.2048 3.2048 3.5566 3.5566 4.1400 4.1400 4.3547 4.3547 7.0429 7.0429 7.7676 7.7676 8.5383 8.5383 8.9540 8.9540 k = 0.1443 0.4070-0.0000 ( 5355 PWs) bands (ev): -6.9680 -6.9680 -6.9067 -6.9067 -6.7358 -6.7358 -6.7230 -6.7230 -6.7181 -6.7181 -6.4252 -6.4252 -4.5859 -4.5859 -4.5711 -4.5711 -4.5489 -4.5489 -4.5237 -4.5237 -4.5103 -4.5103 -4.4647 -4.4647 -0.3564 -0.3564 0.5027 0.5027 2.0202 2.0202 2.7454 2.7454 3.2239 3.2239 3.5704 3.5704 4.1490 4.1490 4.3873 4.3873 6.9505 6.9505 7.6730 7.6730 8.4308 8.4308 8.8856 8.8856 k = 0.1515 0.4273-0.0000 ( 5363 PWs) bands (ev): -6.9581 -6.9581 -6.8988 -6.8988 -6.7353 -6.7353 -6.7228 -6.7228 -6.7174 -6.7174 -6.4297 -6.4297 -4.5859 -4.5859 -4.5731 -4.5731 -4.5485 -4.5485 -4.5239 -4.5239 -4.5100 -4.5100 -4.4677 -4.4677 -0.4025 -0.4025 0.4849 0.4849 2.0531 2.0531 2.7880 2.7880 3.2419 3.2419 3.5861 3.5861 4.1560 4.1560 4.4199 4.4199 6.8627 6.8627 7.5814 7.5814 8.3266 8.3266 8.8189 8.8189 k = 0.1588 0.4477-0.0000 ( 5359 PWs) bands (ev): -6.9488 -6.9488 -6.8905 -6.8905 -6.7347 -6.7347 -6.7227 -6.7227 -6.7164 -6.7164 -6.4345 -6.4345 -4.5859 -4.5859 -4.5750 -4.5750 -4.5481 -4.5481 -4.5240 -4.5240 -4.5095 -4.5095 -4.4706 -4.4706 -0.4474 -0.4474 0.4674 0.4674 2.0871 2.0871 2.8313 2.8313 3.2585 3.2585 3.6034 3.6034 4.1614 4.1614 4.4518 4.4518 6.7802 6.7802 7.4936 7.4936 8.2262 8.2262 8.7544 8.7544 k = 0.1660 0.4680-0.0000 ( 5361 PWs) bands (ev): -6.9402 -6.9402 -6.8819 -6.8819 -6.7341 -6.7341 -6.7226 -6.7226 -6.7152 -6.7152 -6.4397 -6.4397 -4.5860 -4.5860 -4.5769 -4.5769 -4.5478 -4.5478 -4.5241 -4.5241 -4.5091 -4.5091 -4.4736 -4.4736 -0.4909 -0.4909 0.4504 0.4504 2.1220 2.1220 2.8753 2.8753 3.2736 3.2736 3.6223 3.6223 4.1651 4.1651 4.4823 4.4823 6.7035 6.7035 7.4100 7.4100 8.1298 8.1298 8.6926 8.6926 k = 0.1732 0.4884-0.0000 ( 5365 PWs) bands (ev): -6.9323 -6.9323 -6.8732 -6.8732 -6.7333 -6.7333 -6.7226 -6.7226 -6.7138 -6.7138 -6.4452 -6.4452 -4.5863 -4.5863 -4.5786 -4.5786 -4.5475 -4.5475 -4.5241 -4.5241 -4.5086 -4.5086 -4.4766 -4.4766 -0.5328 -0.5328 0.4342 0.4342 2.1576 2.1576 2.9197 2.9197 3.2869 3.2869 3.6428 3.6428 4.1672 4.1672 4.5105 4.5105 6.6332 6.6332 7.3312 7.3312 8.0381 8.0381 8.6340 8.6340 k = 0.1804 0.5087-0.0000 ( 5357 PWs) bands (ev): -6.9252 -6.9252 -6.8643 -6.8643 -6.7325 -6.7325 -6.7225 -6.7225 -6.7121 -6.7121 -6.4510 -6.4510 -4.5868 -4.5868 -4.5799 -4.5799 -4.5473 -4.5473 -4.5240 -4.5240 -4.5081 -4.5081 -4.4794 -4.4794 -0.5729 -0.5729 0.4188 0.4188 2.1937 2.1937 2.9641 2.9641 3.2983 3.2983 3.6645 3.6645 4.1680 4.1680 4.5359 4.5359 6.5698 6.5698 7.2578 7.2578 7.9513 7.9513 8.5788 8.5788 k = 0.1876 0.5291-0.0000 ( 5365 PWs) bands (ev): -6.9189 -6.9189 -6.8554 -6.8554 -6.7317 -6.7317 -6.7225 -6.7225 -6.7100 -6.7100 -6.4572 -6.4572 -4.5879 -4.5879 -4.5807 -4.5807 -4.5471 -4.5471 -4.5239 -4.5239 -4.5075 -4.5075 -4.4823 -4.4823 -0.6110 -0.6110 0.4044 0.4044 2.2301 2.2301 3.0082 3.0082 3.3078 3.3078 3.6873 3.6873 4.1673 4.1673 4.5578 4.5578 6.5136 6.5136 7.1906 7.1906 7.8699 7.8699 8.5269 8.5269 k = 0.1948 0.5494-0.0000 ( 5365 PWs) bands (ev): -6.9134 -6.9134 -6.8467 -6.8467 -6.7309 -6.7309 -6.7225 -6.7225 -6.7076 -6.7076 -6.4637 -6.4637 -4.5892 -4.5892 -4.5810 -4.5810 -4.5470 -4.5470 -4.5237 -4.5237 -4.5069 -4.5069 -4.4850 -4.4850 -0.6469 -0.6469 0.3911 0.3911 2.2666 2.2666 3.0517 3.0517 3.3153 3.3153 3.7109 3.7109 4.1652 4.1652 4.5758 4.5758 6.4650 6.4650 7.1301 7.1301 7.7943 7.7943 8.4783 8.4783 k = 0.2021 0.5698-0.0000 ( 5371 PWs) bands (ev): -6.9086 -6.9086 -6.8383 -6.8383 -6.7300 -6.7300 -6.7225 -6.7225 -6.7048 -6.7048 -6.4705 -6.4705 -4.5908 -4.5908 -4.5810 -4.5810 -4.5469 -4.5469 -4.5235 -4.5235 -4.5063 -4.5063 -4.4877 -4.4877 -0.6803 -0.6803 0.3791 0.3791 2.3029 2.3029 3.0938 3.0938 3.3209 3.3209 3.7349 3.7349 4.1619 4.1619 4.5893 4.5893 6.4240 6.4240 7.0772 7.0772 7.7250 7.7250 8.4325 8.4325 k = 0.2093 0.5901-0.0000 ( 5367 PWs) bands (ev): -6.9047 -6.9047 -6.8303 -6.8303 -6.7292 -6.7292 -6.7225 -6.7225 -6.7017 -6.7017 -6.4776 -6.4776 -4.5924 -4.5924 -4.5808 -4.5808 -4.5468 -4.5468 -4.5232 -4.5232 -4.5057 -4.5057 -4.4902 -4.4902 -0.7113 -0.7113 0.3683 0.3683 2.3388 2.3388 3.1340 3.1340 3.3251 3.3251 3.7589 3.7589 4.1575 4.1575 4.5982 4.5982 6.3904 6.3904 7.0325 7.0325 7.6623 7.6623 8.3891 8.3891 k = 0.2165 0.6105-0.0000 ( 5367 PWs) bands (ev): -6.9014 -6.9014 -6.8227 -6.8227 -6.7284 -6.7284 -6.7225 -6.7225 -6.6983 -6.6983 -6.4849 -6.4849 -4.5940 -4.5940 -4.5805 -4.5805 -4.5468 -4.5468 -4.5229 -4.5229 -4.5051 -4.5051 -4.4927 -4.4927 -0.7397 -0.7397 0.3590 0.3590 2.3739 2.3739 3.1711 3.1711 3.3286 3.3286 3.7825 3.7825 4.1521 4.1521 4.6025 4.6025 6.3641 6.3641 6.9969 6.9969 7.6067 7.6067 8.3473 8.3473 k = 0.2237 0.6308-0.0000 ( 5363 PWs) bands (ev): -6.8989 -6.8989 -6.8156 -6.8156 -6.7276 -6.7276 -6.7225 -6.7225 -6.6947 -6.6947 -6.4925 -6.4925 -4.5955 -4.5955 -4.5800 -4.5800 -4.5468 -4.5468 -4.5227 -4.5227 -4.5044 -4.5044 -4.4950 -4.4950 -0.7653 -0.7653 0.3511 0.3511 2.4081 2.4081 3.2031 3.2031 3.3329 3.3329 3.8051 3.8051 4.1461 4.1461 4.6024 4.6024 6.3442 6.3442 6.9712 6.9712 7.5585 7.5585 8.3064 8.3064 k = 0.2309 0.6512-0.0000 ( 5363 PWs) bands (ev): -6.8971 -6.8971 -6.8090 -6.8090 -6.7268 -6.7268 -6.7226 -6.7226 -6.6911 -6.6911 -6.5002 -6.5002 -4.5969 -4.5969 -4.5795 -4.5795 -4.5468 -4.5468 -4.5224 -4.5224 -4.5038 -4.5038 -4.4972 -4.4972 -0.7881 -0.7881 0.3447 0.3447 2.4411 2.4411 3.2273 3.2273 3.3405 3.3405 3.8261 3.8261 4.1397 4.1397 4.5983 4.5983 6.3303 6.3303 6.9559 6.9559 7.5182 7.5182 8.2658 8.2658 k = 0.2381 0.6715-0.0000 ( 5355 PWs) bands (ev): -6.8959 -6.8959 -6.8029 -6.8029 -6.7261 -6.7261 -6.7226 -6.7226 -6.6875 -6.6875 -6.5079 -6.5079 -4.5981 -4.5981 -4.5789 -4.5789 -4.5469 -4.5469 -4.5222 -4.5222 -4.5031 -4.5031 -4.4991 -4.4991 -0.8080 -0.8080 0.3400 0.3400 2.4726 2.4726 3.2406 3.2406 3.3542 3.3542 3.8449 3.8449 4.1334 4.1334 4.5907 4.5907 6.3215 6.3215 6.9514 6.9514 7.4861 7.4861 8.2251 8.2251 k = 0.2454 0.6919-0.0000 ( 5353 PWs) bands (ev): -6.8954 -6.8954 -6.7974 -6.7974 -6.7254 -6.7254 -6.7226 -6.7226 -6.6842 -6.6842 -6.5156 -6.5156 -4.5991 -4.5991 -4.5782 -4.5782 -4.5470 -4.5470 -4.5220 -4.5220 -4.5028 -4.5028 -4.5006 -4.5006 -0.8249 -0.8249 0.3367 0.3367 2.5023 2.5023 3.2433 3.2433 3.3734 3.3734 3.8606 3.8606 4.1279 4.1279 4.5805 4.5805 6.3173 6.3173 6.9580 6.9580 7.4625 7.4625 8.1842 8.1842 k = 0.2526 0.7122-0.0000 ( 5357 PWs) bands (ev): -6.8955 -6.8955 -6.7925 -6.7925 -6.7247 -6.7247 -6.7226 -6.7226 -6.6813 -6.6813 -6.5232 -6.5232 -4.6000 -4.6000 -4.5775 -4.5775 -4.5471 -4.5471 -4.5218 -4.5218 -4.5037 -4.5037 -4.5008 -4.5008 -0.8389 -0.8389 0.3351 0.3351 2.5300 2.5300 3.2380 3.2380 3.3952 3.3952 3.8726 3.8726 4.1236 4.1236 4.5682 4.5682 6.3172 6.3172 6.9754 6.9754 7.4477 7.4477 8.1437 8.1437 k = 0.2598 0.7325-0.0000 ( 5369 PWs) bands (ev): -6.8962 -6.8962 -6.7880 -6.7880 -6.7240 -6.7240 -6.7226 -6.7226 -6.6789 -6.6789 -6.5305 -6.5305 -4.6007 -4.6007 -4.5767 -4.5767 -4.5471 -4.5471 -4.5218 -4.5218 -4.5051 -4.5051 -4.5002 -4.5002 -0.8499 -0.8499 0.3350 0.3350 2.5555 2.5555 3.2276 3.2276 3.4165 3.4165 3.8804 3.8804 4.1211 4.1211 4.5548 4.5548 6.3211 6.3211 7.0030 7.0030 7.4419 7.4419 8.1041 8.1041 k = 0.2670 0.7529-0.0000 ( 5373 PWs) bands (ev): -6.8975 -6.8975 -6.7841 -6.7841 -6.7233 -6.7233 -6.7225 -6.7225 -6.6773 -6.6773 -6.5374 -6.5374 -4.6012 -4.6012 -4.5759 -4.5759 -4.5472 -4.5472 -4.5218 -4.5218 -4.5065 -4.5065 -4.4994 -4.4994 -0.8579 -0.8579 0.3365 0.3365 2.5786 2.5786 3.2135 3.2135 3.4357 3.4357 3.8836 3.8836 4.1207 4.1207 4.5410 4.5410 6.3289 6.3289 7.0401 7.0401 7.4454 7.4454 8.0663 8.0663 k = 0.2742 0.7732-0.0000 ( 5371 PWs) bands (ev): -6.8994 -6.8994 -6.7807 -6.7807 -6.7229 -6.7229 -6.7222 -6.7222 -6.6766 -6.6766 -6.5438 -6.5438 -4.6016 -4.6016 -4.5751 -4.5751 -4.5473 -4.5473 -4.5219 -4.5219 -4.5078 -4.5078 -4.4986 -4.4986 -0.8630 -0.8630 0.3395 0.3395 2.5991 2.5991 3.1968 3.1968 3.4516 3.4516 3.8824 3.8824 4.1223 4.1223 4.5273 4.5273 6.3407 6.3407 7.0855 7.0855 7.4582 7.4582 8.0314 8.0314 k = 0.2814 0.7936-0.0000 ( 5363 PWs) bands (ev): -6.9017 -6.9017 -6.7779 -6.7779 -6.7228 -6.7228 -6.7217 -6.7217 -6.6768 -6.6768 -6.5494 -6.5494 -4.6017 -4.6017 -4.5742 -4.5742 -4.5474 -4.5474 -4.5222 -4.5222 -4.5089 -4.5089 -4.4977 -4.4977 -0.8653 -0.8653 0.3439 0.3439 2.6169 2.6169 3.1780 3.1780 3.4637 3.4637 3.8774 3.8774 4.1258 4.1258 4.5144 4.5144 6.3564 6.3564 7.1382 7.1382 7.4802 7.4802 8.0003 8.0003 k = 0.2814 0.7936-0.0000 ( 5363 PWs) bands (ev): -6.9017 -6.9017 -6.7779 -6.7779 -6.7228 -6.7228 -6.7217 -6.7217 -6.6768 -6.6768 -6.5494 -6.5494 -4.6017 -4.6017 -4.5742 -4.5742 -4.5474 -4.5474 -4.5222 -4.5222 -4.5089 -4.5089 -4.4977 -4.4977 -0.8653 -0.8653 0.3439 0.3439 2.6169 2.6169 3.1780 3.1780 3.4637 3.4637 3.8774 3.8774 4.1258 4.1258 4.5144 4.5144 6.3564 6.3564 7.1382 7.1382 7.4802 7.4802 8.0003 8.0003 k = 0.2598 0.7936-0.0000 ( 5361 PWs) bands (ev): -6.9007 -6.9007 -6.7794 -6.7794 -6.7228 -6.7228 -6.7221 -6.7221 -6.6759 -6.6759 -6.5476 -6.5476 -4.6016 -4.6016 -4.5746 -4.5746 -4.5474 -4.5474 -4.5221 -4.5221 -4.5086 -4.5086 -4.4980 -4.4980 -0.8643 -0.8643 0.3417 0.3417 2.6132 2.6132 3.1833 3.1833 3.4607 3.4607 3.8787 3.8787 4.1215 4.1215 4.5178 4.5178 6.3544 6.3544 7.1216 7.1216 7.4732 7.4732 8.0084 8.0084 k = 0.2381 0.7936-0.0000 ( 5357 PWs) bands (ev): -6.8994 -6.8994 -6.7823 -6.7823 -6.7233 -6.7233 -6.7224 -6.7224 -6.6737 -6.6737 -6.5457 -6.5457 -4.6014 -4.6014 -4.5750 -4.5750 -4.5472 -4.5472 -4.5219 -4.5219 -4.5082 -4.5082 -4.4984 -4.4984 -0.8622 -0.8622 0.3386 0.3386 2.6133 2.6133 3.1860 3.1860 3.4584 3.4584 3.8784 3.8784 4.1115 4.1115 4.5196 4.5196 6.3598 6.3598 7.1089 7.1089 7.4699 7.4699 8.0136 8.0136 k = 0.2165 0.7936-0.0000 ( 5356 PWs) bands (ev): -6.8979 -6.8979 -6.7863 -6.7863 -6.7243 -6.7243 -6.7225 -6.7225 -6.6706 -6.6706 -6.5440 -6.5440 -4.6011 -4.6011 -4.5755 -4.5755 -4.5471 -4.5471 -4.5216 -4.5216 -4.5078 -4.5078 -4.4988 -4.4988 -0.8590 -0.8590 0.3347 0.3347 2.6173 2.6173 3.1861 3.1861 3.4567 3.4567 3.8769 3.8769 4.0963 4.0963 4.5201 4.5201 6.3720 6.3720 7.0997 7.0997 7.4697 7.4697 8.0163 8.0163 k = 0.1948 0.7936-0.0000 ( 5356 PWs) bands (ev): -6.8961 -6.8961 -6.7913 -6.7913 -6.7253 -6.7253 -6.7226 -6.7226 -6.6669 -6.6669 -6.5424 -6.5424 -4.6007 -4.6007 -4.5761 -4.5761 -4.5469 -4.5469 -4.5213 -4.5213 -4.5075 -4.5075 -4.4993 -4.4993 -0.8550 -0.8550 0.3300 0.3300 2.6250 2.6250 3.1840 3.1840 3.4554 3.4554 3.8743 3.8743 4.0767 4.0767 4.5197 4.5197 6.3901 6.3901 7.0933 7.0933 7.4720 7.4720 8.0172 8.0172 k = 0.1732 0.7936-0.0000 ( 5358 PWs) bands (ev): -6.8940 -6.8940 -6.7969 -6.7969 -6.7262 -6.7262 -6.7226 -6.7226 -6.6629 -6.6629 -6.5410 -6.5410 -4.6003 -4.6003 -4.5767 -4.5767 -4.5466 -4.5466 -4.5209 -4.5209 -4.5072 -4.5072 -4.4999 -4.4999 -0.8505 -0.8505 0.3248 0.3248 2.6361 2.6361 3.1797 3.1797 3.4544 3.4544 3.8712 3.8712 4.0539 4.0539 4.5188 4.5188 6.4127 6.4127 7.0888 7.0888 7.4761 7.4761 8.0172 8.0172 k = 0.1515 0.7936-0.0000 ( 5358 PWs) bands (ev): -6.8916 -6.8916 -6.8029 -6.8029 -6.7269 -6.7269 -6.7226 -6.7226 -6.6590 -6.6590 -6.5398 -6.5398 -4.5998 -4.5998 -4.5773 -4.5773 -4.5464 -4.5464 -4.5204 -4.5204 -4.5069 -4.5069 -4.5005 -4.5005 -0.8456 -0.8456 0.3192 0.3192 2.6502 2.6502 3.1736 3.1736 3.4532 3.4532 3.8676 3.8676 4.0292 4.0292 4.5177 4.5177 6.4385 6.4385 7.0855 7.0855 7.4812 7.4812 8.0169 8.0169 k = 0.1299 0.7936-0.0000 ( 5367 PWs) bands (ev): -6.8889 -6.8889 -6.8090 -6.8090 -6.7275 -6.7275 -6.7226 -6.7226 -6.6552 -6.6552 -6.5388 -6.5388 -4.5993 -4.5993 -4.5779 -4.5779 -4.5462 -4.5462 -4.5199 -4.5199 -4.5067 -4.5067 -4.5011 -4.5011 -0.8407 -0.8407 0.3135 0.3135 2.6665 2.6665 3.1660 3.1660 3.4517 3.4517 3.8639 3.8639 4.0042 4.0042 4.5166 4.5166 6.4659 6.4659 7.0828 7.0828 7.4865 7.4865 8.0171 8.0171 k = 0.1082 0.7936-0.0000 ( 5367 PWs) bands (ev): -6.8861 -6.8861 -6.8150 -6.8150 -6.7279 -6.7279 -6.7225 -6.7225 -6.6517 -6.6517 -6.5380 -6.5380 -4.5988 -4.5988 -4.5785 -4.5785 -4.5460 -4.5460 -4.5194 -4.5194 -4.5065 -4.5065 -4.5017 -4.5017 -0.8360 -0.8360 0.3080 0.3080 2.6842 2.6842 3.1574 3.1574 3.4499 3.4499 3.8602 3.8602 3.9804 3.9804 4.5155 4.5155 6.4934 6.4934 7.0801 7.0801 7.4915 7.4915 8.0180 8.0180 k = 0.0866 0.7936-0.0000 ( 5367 PWs) bands (ev): -6.8832 -6.8832 -6.8207 -6.8207 -6.7283 -6.7283 -6.7225 -6.7225 -6.6487 -6.6487 -6.5374 -6.5374 -4.5983 -4.5983 -4.5791 -4.5791 -4.5458 -4.5458 -4.5189 -4.5189 -4.5063 -4.5063 -4.5022 -4.5022 -0.8318 -0.8318 0.3030 0.3030 2.7019 2.7019 3.1484 3.1484 3.4479 3.4479 3.8567 3.8567 3.9593 3.9593 4.5145 4.5145 6.5193 6.5193 7.0772 7.0772 7.4958 7.4958 8.0198 8.0198 k = 0.0649 0.7936-0.0000 ( 5377 PWs) bands (ev): -6.8804 -6.8804 -6.8258 -6.8258 -6.7285 -6.7285 -6.7225 -6.7225 -6.6463 -6.6463 -6.5370 -6.5370 -4.5979 -4.5979 -4.5795 -4.5795 -4.5456 -4.5456 -4.5185 -4.5185 -4.5063 -4.5063 -4.5027 -4.5027 -0.8282 -0.8282 0.2988 0.2988 2.7183 2.7183 3.1396 3.1396 3.4459 3.4459 3.8536 3.8536 3.9420 3.9420 4.5138 4.5138 6.5420 6.5420 7.0741 7.0741 7.4993 7.4993 8.0222 8.0222 k = 0.0433 0.7936-0.0000 ( 5377 PWs) bands (ev): -6.8780 -6.8780 -6.8300 -6.8300 -6.7287 -6.7287 -6.7225 -6.7225 -6.6445 -6.6445 -6.5368 -6.5368 -4.5975 -4.5975 -4.5799 -4.5799 -4.5455 -4.5455 -4.5181 -4.5181 -4.5062 -4.5062 -4.5030 -4.5030 -0.8255 -0.8255 0.2956 0.2956 2.7317 2.7317 3.1321 3.1321 3.4441 3.4441 3.8511 3.8511 3.9292 3.9292 4.5132 4.5132 6.5598 6.5598 7.0713 7.0713 7.5017 7.5017 8.0246 8.0246 k = 0.0216 0.7936-0.0000 ( 5380 PWs) bands (ev): -6.8763 -6.8763 -6.8327 -6.8327 -6.7288 -6.7288 -6.7225 -6.7225 -6.6434 -6.6434 -6.5366 -6.5366 -4.5973 -4.5973 -4.5801 -4.5801 -4.5454 -4.5454 -4.5179 -4.5179 -4.5062 -4.5062 -4.5032 -4.5032 -0.8239 -0.8239 0.2936 0.2936 2.7406 2.7406 3.1270 3.1270 3.4428 3.4428 3.8494 3.8494 3.9215 3.9215 4.5129 4.5129 6.5711 6.5711 7.0693 7.0693 7.5031 7.5031 8.0263 8.0263 k = 0.0000 0.7936-0.0000 ( 5378 PWs) bands (ev): -6.8756 -6.8756 -6.8337 -6.8337 -6.7288 -6.7288 -6.7225 -6.7225 -6.6430 -6.6430 -6.5366 -6.5366 -4.5973 -4.5973 -4.5802 -4.5802 -4.5454 -4.5454 -4.5178 -4.5178 -4.5062 -4.5062 -4.5033 -4.5033 -0.8233 -0.8233 0.2929 0.2929 2.7437 2.7437 3.1252 3.1252 3.4424 3.4424 3.8488 3.8488 3.9189 3.9189 4.5128 4.5128 6.5750 6.5750 7.0685 7.0685 7.5036 7.5036 8.0270 8.0270 k = 0.0000 0.7936-0.0000 ( 5378 PWs) bands (ev): -6.8756 -6.8756 -6.8337 -6.8337 -6.7288 -6.7288 -6.7225 -6.7225 -6.6430 -6.6430 -6.5366 -6.5366 -4.5973 -4.5973 -4.5802 -4.5802 -4.5454 -4.5454 -4.5178 -4.5178 -4.5062 -4.5062 -4.5033 -4.5033 -0.8233 -0.8233 0.2929 0.2929 2.7437 2.7437 3.1252 3.1252 3.4424 3.4424 3.8488 3.8488 3.9189 3.9189 4.5128 4.5128 6.5750 6.5750 7.0685 7.0685 7.5036 7.5036 8.0270 8.0270 k = 0.0000 0.7936 0.0218 ( 5382 PWs) bands (ev): -6.8764 -6.8764 -6.8342 -6.8342 -6.7288 -6.7288 -6.7226 -6.7226 -6.6423 -6.6423 -6.5359 -6.5359 -4.5972 -4.5972 -4.5799 -4.5799 -4.5453 -4.5453 -4.5179 -4.5179 -4.5067 -4.5067 -4.5026 -4.5026 -0.8220 -0.8220 0.2938 0.2938 2.7413 2.7413 3.1213 3.1213 3.4413 3.4413 3.8368 3.8368 3.9220 3.9220 4.5096 4.5096 6.5824 6.5824 7.0745 7.0745 7.5117 7.5117 8.0249 8.0249 k = 0.0000 0.7936 0.0435 ( 5376 PWs) bands (ev): -6.8787 -6.8787 -6.8358 -6.8358 -6.7288 -6.7288 -6.7227 -6.7227 -6.6401 -6.6401 -6.5340 -6.5340 -4.5970 -4.5970 -4.5792 -4.5792 -4.5449 -4.5449 -4.5182 -4.5182 -4.5075 -4.5075 -4.5010 -4.5010 -0.8180 -0.8180 0.2965 0.2965 2.7342 2.7342 3.1096 3.1096 3.4380 3.4380 3.8061 3.8061 3.9262 3.9262 4.5002 4.5002 6.6043 6.6043 7.0924 7.0924 7.5356 7.5356 8.0196 8.0196 k = 0.0000 0.7936 0.0653 ( 5374 PWs) bands (ev): -6.8823 -6.8823 -6.8383 -6.8383 -6.7288 -6.7288 -6.7228 -6.7228 -6.6364 -6.6364 -6.5309 -6.5309 -4.5966 -4.5966 -4.5781 -4.5781 -4.5442 -4.5442 -4.5188 -4.5188 -4.5081 -4.5081 -4.4992 -4.4992 -0.8113 -0.8113 0.3010 0.3010 2.7224 2.7224 3.0905 3.0905 3.4323 3.4323 3.7631 3.7631 3.9265 3.9265 4.4850 4.4850 6.6398 6.6398 7.1219 7.1219 7.5749 7.5749 8.0130 8.0130 k = 0.0000 0.7936 0.0870 ( 5366 PWs) bands (ev): -6.8871 -6.8871 -6.8419 -6.8419 -6.7289 -6.7289 -6.7229 -6.7229 -6.6315 -6.6315 -6.5268 -6.5268 -4.5960 -4.5960 -4.5766 -4.5766 -4.5433 -4.5433 -4.5196 -4.5196 -4.5083 -4.5083 -4.4972 -4.4972 -0.8019 -0.8019 0.3072 0.3072 2.7058 2.7058 3.0645 3.0645 3.4241 3.4241 3.7108 3.7108 3.9217 3.9217 4.4643 4.4643 6.6876 6.6876 7.1625 7.1625 7.6284 7.6284 8.0078 8.0078 k = 0.0000 0.7936 0.1088 ( 5368 PWs) bands (ev): -6.8928 -6.8928 -6.8464 -6.8464 -6.7291 -6.7291 -6.7229 -6.7229 -6.6254 -6.6254 -6.5218 -6.5218 -4.5953 -4.5953 -4.5747 -4.5747 -4.5422 -4.5422 -4.5204 -4.5204 -4.5083 -4.5083 -4.4950 -4.4950 -0.7900 -0.7900 0.3151 0.3151 2.6844 2.6844 3.0320 3.0320 3.4127 3.4127 3.6513 3.6513 3.9120 3.9120 4.4389 4.4389 6.7460 6.7460 7.2139 7.2139 7.6948 7.6948 8.0064 8.0064 k = 0.0000 0.7936 0.1305 ( 5370 PWs) bands (ev): -6.8992 -6.8992 -6.8517 -6.8517 -6.7294 -6.7294 -6.7229 -6.7229 -6.6182 -6.6182 -6.5160 -6.5160 -4.5944 -4.5944 -4.5726 -4.5726 -4.5409 -4.5409 -4.5212 -4.5212 -4.5080 -4.5080 -4.4927 -4.4927 -0.7753 -0.7753 0.3247 0.3247 2.6583 2.6583 2.9940 2.9940 3.3972 3.3972 3.5871 3.5871 3.8983 3.8983 4.4097 4.4097 6.8131 6.8131 7.2751 7.2751 7.7719 7.7719 8.0116 8.0116 k = 0.0000 0.7936 0.1523 ( 5370 PWs) bands (ev): -6.9062 -6.9062 -6.8579 -6.8579 -6.7298 -6.7298 -6.7228 -6.7228 -6.6102 -6.6102 -6.5097 -6.5097 -4.5934 -4.5934 -4.5704 -4.5704 -4.5396 -4.5396 -4.5218 -4.5218 -4.5075 -4.5075 -4.4903 -4.4903 -0.7580 -0.7580 0.3357 0.3357 2.6276 2.6276 2.9510 2.9510 3.3754 3.3754 3.5215 3.5215 3.8816 3.8816 4.3775 4.3775 6.8869 6.8869 7.3455 7.3455 7.8559 7.8559 8.0272 8.0272 k = 0.0000 0.7936 0.1740 ( 5364 PWs) bands (ev): -6.9135 -6.9135 -6.8647 -6.8647 -6.7302 -6.7302 -6.7227 -6.7227 -6.6014 -6.6014 -6.5030 -6.5030 -4.5923 -4.5923 -4.5679 -4.5679 -4.5384 -4.5384 -4.5219 -4.5219 -4.5068 -4.5068 -4.4877 -4.4877 -0.7381 -0.7381 0.3481 0.3481 2.5925 2.5925 2.9040 2.9040 3.3423 3.3423 3.4602 3.4602 3.8628 3.8628 4.3435 4.3435 6.9650 6.9650 7.4241 7.4241 7.9384 7.9384 8.0615 8.0615 k = 0.0000 0.7936 0.1958 ( 5356 PWs) bands (ev): -6.9209 -6.9209 -6.8720 -6.8720 -6.7305 -6.7305 -6.7226 -6.7226 -6.5921 -6.5921 -6.4960 -6.4960 -4.5910 -4.5910 -4.5654 -4.5654 -4.5377 -4.5377 -4.5213 -4.5213 -4.5059 -4.5059 -4.4850 -4.4850 -0.7157 -0.7157 0.3618 0.3618 2.5531 2.5531 2.8538 2.8538 3.2924 3.2924 3.4097 3.4097 3.8429 3.8429 4.3087 4.3087 7.0452 7.0452 7.5100 7.5100 8.0047 8.0047 8.1287 8.1287 k = 0.0000 0.7936 0.2176 ( 5360 PWs) bands (ev): -6.9285 -6.9285 -6.8798 -6.8798 -6.7308 -6.7308 -6.7226 -6.7226 -6.5824 -6.5824 -6.4889 -6.4889 -4.5897 -4.5897 -4.5628 -4.5628 -4.5376 -4.5376 -4.5198 -4.5198 -4.5048 -4.5048 -4.4821 -4.4821 -0.6906 -0.6906 0.3766 0.3766 2.5097 2.5097 2.8012 2.8012 3.2269 3.2269 3.3692 3.3692 3.8231 3.8231 4.2739 4.2739 7.1253 7.1253 7.6020 7.6020 8.0571 8.0571 8.2259 8.2259 k = 0.0000 0.7936 0.2393 ( 5356 PWs) bands (ev): -6.9360 -6.9360 -6.8878 -6.8878 -6.7311 -6.7311 -6.7226 -6.7226 -6.5724 -6.5724 -6.4818 -6.4818 -4.5884 -4.5884 -4.5602 -4.5602 -4.5381 -4.5381 -4.5176 -4.5176 -4.5034 -4.5034 -4.4791 -4.4791 -0.6630 -0.6630 0.3922 0.3922 2.4628 2.4628 2.7469 2.7469 3.1534 3.1534 3.3318 3.3318 3.8042 3.8042 4.2400 4.2400 7.2032 7.2032 7.6990 7.6990 8.1107 8.1107 8.3370 8.3370 k = 0.0000 0.7936 0.2611 ( 5350 PWs) bands (ev): -6.9433 -6.9433 -6.8961 -6.8961 -6.7313 -6.7313 -6.7226 -6.7226 -6.5623 -6.5623 -6.4747 -6.4747 -4.5870 -4.5870 -4.5575 -4.5575 -4.5390 -4.5390 -4.5151 -4.5151 -4.5016 -4.5016 -4.4760 -4.4760 -0.6328 -0.6328 0.4084 0.4084 2.4128 2.4128 2.6917 2.6917 3.0771 3.0771 3.2927 3.2927 3.7873 3.7873 4.2076 4.2076 7.2770 7.2770 7.7997 7.7997 8.1724 8.1724 8.4535 8.4535 k = 0.0000 0.7936 0.2828 ( 5344 PWs) bands (ev): -6.9505 -6.9505 -6.9044 -6.9044 -6.7314 -6.7314 -6.7226 -6.7226 -6.5521 -6.5521 -6.4679 -6.4679 -4.5857 -4.5857 -4.5549 -4.5549 -4.5401 -4.5401 -4.5127 -4.5127 -4.4991 -4.4991 -4.4728 -4.4728 -0.6002 -0.6002 0.4248 0.4248 2.3602 2.3602 2.6361 2.6361 3.0009 3.0009 3.2498 3.2498 3.7729 3.7729 4.1770 4.1770 7.3458 7.3458 7.9029 7.9029 8.2444 8.2444 8.5708 8.5708 k = 0.0000 0.7936 0.3046 ( 5350 PWs) bands (ev): -6.9574 -6.9574 -6.9127 -6.9127 -6.7314 -6.7314 -6.7227 -6.7227 -6.5419 -6.5419 -6.4613 -6.4613 -4.5843 -4.5843 -4.5522 -4.5522 -4.5414 -4.5414 -4.5107 -4.5107 -4.4958 -4.4958 -4.4694 -4.4694 -0.5652 -0.5652 0.4411 0.4411 2.3058 2.3058 2.5810 2.5810 2.9264 2.9264 3.2023 3.2023 3.7614 3.7614 4.1486 4.1486 7.4091 7.4091 8.0066 8.0066 8.3268 8.3268 8.6853 8.6853 k = 0.0000 0.7936 0.3263 ( 5346 PWs) bands (ev): -6.9639 -6.9639 -6.9210 -6.9210 -6.7314 -6.7314 -6.7228 -6.7228 -6.5318 -6.5318 -6.4550 -6.4550 -4.5830 -4.5830 -4.5497 -4.5497 -4.5426 -4.5426 -4.5092 -4.5092 -4.4918 -4.4918 -4.4660 -4.4660 -0.5278 -0.5278 0.4569 0.4569 2.2503 2.2503 2.5266 2.5266 2.8545 2.8545 3.1505 3.1505 3.7532 3.7532 4.1223 4.1223 7.4671 7.4671 8.1090 8.1090 8.4185 8.4185 8.7937 8.7937 k = 0.0000 0.7936 0.3481 ( 5348 PWs) bands (ev): -6.9701 -6.9701 -6.9291 -6.9291 -6.7313 -6.7313 -6.7230 -6.7230 -6.5218 -6.5218 -6.4492 -6.4492 -4.5817 -4.5817 -4.5477 -4.5477 -4.5434 -4.5434 -4.5082 -4.5082 -4.4872 -4.4872 -4.4625 -4.4625 -0.4881 -0.4881 0.4715 0.4715 2.1947 2.1947 2.4735 2.4735 2.7861 2.7861 3.0946 3.0946 3.7480 3.7480 4.0980 4.0980 7.5206 7.5206 8.2072 8.2072 8.5179 8.5179 8.8926 8.8926 k = 0.0000 0.7936 0.3698 ( 5350 PWs) bands (ev): -6.9759 -6.9759 -6.9371 -6.9371 -6.7312 -6.7312 -6.7232 -6.7232 -6.5121 -6.5121 -6.4437 -6.4437 -4.5805 -4.5805 -4.5474 -4.5474 -4.5426 -4.5426 -4.5075 -4.5075 -4.4823 -4.4823 -4.4591 -4.4591 -0.4461 -0.4461 0.4844 0.4844 2.1399 2.1399 2.4221 2.4221 2.7216 2.7216 3.0356 3.0356 3.7457 3.7457 4.0755 4.0755 7.5707 7.5707 8.2980 8.2980 8.6231 8.6231 8.9803 8.9803 k = 0.0000 0.7936 0.3916 ( 5350 PWs) bands (ev): -6.9812 -6.9812 -6.9447 -6.9447 -6.7310 -6.7310 -6.7234 -6.7234 -6.5027 -6.5027 -6.4388 -6.4388 -4.5793 -4.5793 -4.5484 -4.5484 -4.5405 -4.5405 -4.5071 -4.5071 -4.4772 -4.4772 -4.4556 -4.4556 -0.4020 -0.4020 0.4948 0.4948 2.0872 2.0872 2.3724 2.3724 2.6616 2.6616 2.9744 2.9744 3.7460 3.7460 4.0546 4.0546 7.6183 7.6183 8.3773 8.3773 8.7320 8.7320 9.0570 9.0570 k = 0.0000 0.7936 0.4134 ( 5348 PWs) bands (ev): -6.9861 -6.9861 -6.9521 -6.9521 -6.7308 -6.7308 -6.7236 -6.7236 -6.4936 -6.4936 -6.4343 -6.4343 -4.5781 -4.5781 -4.5498 -4.5498 -4.5380 -4.5380 -4.5069 -4.5069 -4.4721 -4.4721 -4.4523 -4.4523 -0.3559 -0.3559 0.5019 0.5019 2.0377 2.0377 2.3247 2.3247 2.6064 2.6064 2.9118 2.9118 3.7486 3.7486 4.0350 4.0350 7.6645 7.6645 8.4406 8.4406 8.8428 8.8428 9.1259 9.1259 k = 0.0000 0.7936 0.4351 ( 5344 PWs) bands (ev): -6.9904 -6.9904 -6.9591 -6.9591 -6.7306 -6.7306 -6.7238 -6.7238 -6.4849 -6.4849 -6.4304 -6.4304 -4.5769 -4.5769 -4.5513 -4.5513 -4.5355 -4.5355 -4.5068 -4.5068 -4.4670 -4.4670 -4.4490 -4.4490 -0.3078 -0.3078 0.5051 0.5051 1.9928 1.9928 2.2792 2.2792 2.5563 2.5563 2.8488 2.8488 3.7532 3.7532 4.0166 4.0166 7.7098 7.7098 8.4845 8.4845 8.9536 8.9536 9.1917 9.1917 k = 0.0000 0.7936 0.4569 ( 5342 PWs) bands (ev): -6.9942 -6.9942 -6.9657 -6.9657 -6.7303 -6.7303 -6.7241 -6.7241 -6.4767 -6.4767 -6.4271 -6.4271 -4.5758 -4.5758 -4.5528 -4.5528 -4.5330 -4.5330 -4.5070 -4.5070 -4.4621 -4.4621 -4.4460 -4.4460 -0.2580 -0.2580 0.5033 0.5033 1.9536 1.9536 2.2357 2.2357 2.5115 2.5115 2.7863 2.7863 3.7596 3.7596 3.9990 3.9990 7.7550 7.7550 8.5075 8.5075 9.0625 9.0625 9.2583 9.2583 k = 0.0000 0.7936 0.4786 ( 5342 PWs) bands (ev): -6.9975 -6.9975 -6.9719 -6.9719 -6.7300 -6.7300 -6.7244 -6.7244 -6.4688 -6.4688 -6.4245 -6.4245 -4.5746 -4.5746 -4.5543 -4.5543 -4.5306 -4.5306 -4.5073 -4.5073 -4.4575 -4.4575 -4.4432 -4.4432 -0.2066 -0.2066 0.4959 0.4959 1.9212 1.9212 2.1942 2.1942 2.4724 2.4724 2.7253 2.7253 3.7674 3.7674 3.9822 3.9822 7.8006 7.8006 8.5108 8.5108 9.1676 9.1676 9.3267 9.3267 k = 0.0000 0.7936 0.5004 ( 5338 PWs) bands (ev): -7.0002 -7.0002 -6.9776 -6.9776 -6.7296 -6.7296 -6.7246 -6.7246 -6.4615 -6.4615 -6.4224 -6.4224 -4.5735 -4.5735 -4.5557 -4.5557 -4.5283 -4.5283 -4.5077 -4.5077 -4.4531 -4.4531 -4.4406 -4.4406 -0.1538 -0.1538 0.4825 0.4825 1.8963 1.8963 2.1547 2.1547 2.4391 2.4391 2.6667 2.6667 3.7765 3.7765 3.9660 3.9660 7.8468 7.8468 8.4975 8.4975 9.2671 9.2671 9.3957 9.3957 k = 0.0000 0.7936 0.5221 ( 5330 PWs) bands (ev): -7.0024 -7.0024 -6.9828 -6.9828 -6.7293 -6.7293 -6.7250 -6.7250 -6.4547 -6.4547 -6.4209 -6.4209 -4.5723 -4.5723 -4.5571 -4.5571 -4.5260 -4.5260 -4.5083 -4.5083 -4.4491 -4.4491 -4.4384 -4.4384 -0.0999 -0.0999 0.4626 0.4626 1.8795 1.8795 2.1170 2.1170 2.4119 2.4119 2.6112 2.6112 3.7867 3.7867 3.9503 3.9503 7.8939 7.8939 8.4715 8.4715 9.3591 9.3591 9.4624 9.4624 k = 0.0000 0.7936 0.5439 ( 5334 PWs) bands (ev): -7.0040 -7.0040 -6.9875 -6.9875 -6.7289 -6.7289 -6.7253 -6.7253 -6.4485 -6.4485 -6.4202 -6.4202 -4.5712 -4.5712 -4.5586 -4.5586 -4.5239 -4.5239 -4.5091 -4.5091 -4.4455 -4.4455 -4.4366 -4.4366 -0.0452 -0.0452 0.4362 0.4362 1.8707 1.8707 2.0810 2.0810 2.3910 2.3910 2.5598 2.5598 3.7977 3.7977 3.9349 3.9349 7.9420 7.9420 8.4361 8.4361 9.4419 9.4419 9.5237 9.5237 k = 0.0000 0.7936 0.5656 ( 5332 PWs) bands (ev): -7.0049 -7.0049 -6.9917 -6.9917 -6.7286 -6.7286 -6.7256 -6.7256 -6.4428 -6.4428 -6.4201 -6.4201 -4.5700 -4.5700 -4.5600 -4.5600 -4.5218 -4.5218 -4.5099 -4.5099 -4.4423 -4.4423 -4.4353 -4.4353 0.0100 0.0100 0.4038 0.4038 1.8698 1.8698 2.0467 2.0467 2.3767 2.3767 2.5132 2.5132 3.8095 3.8095 3.9199 3.9199 7.9911 7.9911 8.3942 8.3942 9.5137 9.5137 9.5767 9.5767 k = 0.0000 0.7936 0.5874 ( 5328 PWs) bands (ev): -7.0053 -7.0053 -6.9954 -6.9954 -6.7282 -6.7282 -6.7260 -6.7260 -6.4377 -6.4377 -6.4206 -6.4206 -4.5689 -4.5689 -4.5613 -4.5613 -4.5199 -4.5199 -4.5110 -4.5110 -4.4396 -4.4396 -4.4344 -4.4344 0.0653 0.0653 0.3659 0.3659 1.8760 1.8760 2.0141 2.0141 2.3691 2.3691 2.4723 2.4723 3.8220 3.8220 3.9050 3.9050 8.0413 8.0413 8.3478 8.3478 9.5729 9.5729 9.6190 9.6190 k = 0.0000 0.7936 0.6091 ( 5328 PWs) bands (ev): -7.0052 -7.0052 -6.9985 -6.9985 -6.7278 -6.7278 -6.7263 -6.7263 -6.4332 -6.4332 -6.4218 -6.4218 -4.5677 -4.5677 -4.5626 -4.5626 -4.5181 -4.5181 -4.5121 -4.5121 -4.4374 -4.4374 -4.4339 -4.4339 0.1202 0.1202 0.3231 0.3231 1.8886 1.8886 1.9834 1.9834 2.3685 2.3685 2.4376 2.4376 3.8349 3.8349 3.8905 3.8905 8.0922 8.0922 8.2985 8.2985 9.6184 9.6184 9.6486 9.6486 k = 0.0000 0.7936 0.6309 ( 5330 PWs) bands (ev): -7.0044 -7.0044 -7.0010 -7.0010 -6.7275 -6.7275 -6.7267 -6.7267 -6.4294 -6.4294 -6.4237 -6.4237 -4.5664 -4.5664 -4.5639 -4.5639 -4.5164 -4.5164 -4.5134 -4.5134 -4.4358 -4.4358 -4.4340 -4.4340 0.1741 0.1741 0.2763 0.2763 1.9066 1.9066 1.9548 1.9548 2.3750 2.3750 2.4096 2.4096 3.8483 3.8483 3.8761 3.8761 8.1439 8.1439 8.2476 8.2476 9.6490 9.6490 9.6639 9.6639 k = 0.0000 0.7936 0.6527 ( 5332 PWs) bands (ev): -7.0030 -7.0030 -7.0030 -7.0030 -6.7271 -6.7271 -6.7271 -6.7271 -6.4262 -6.4262 -6.4262 -6.4262 -4.5652 -4.5652 -4.5652 -4.5652 -4.5149 -4.5149 -4.5149 -4.5149 -4.4346 -4.4346 -4.4346 -4.4346 0.2264 0.2264 0.2264 0.2264 1.9290 1.9290 1.9290 1.9290 2.3887 2.3887 2.3887 2.3887 3.8621 3.8621 3.8621 3.8621 8.1958 8.1958 8.1958 8.1958 9.6642 9.6642 9.6642 9.6642 k = 0.0000 0.7936 0.6527 ( 5332 PWs) bands (ev): -7.0030 -7.0030 -7.0030 -7.0030 -6.7271 -6.7271 -6.7271 -6.7271 -6.4262 -6.4262 -6.4262 -6.4262 -4.5652 -4.5652 -4.5652 -4.5652 -4.5149 -4.5149 -4.5149 -4.5149 -4.4346 -4.4346 -4.4346 -4.4346 0.2264 0.2264 0.2264 0.2264 1.9290 1.9290 1.9290 1.9290 2.3887 2.3887 2.3887 2.3887 3.8621 3.8621 3.8621 3.8621 8.1958 8.1958 8.1958 8.1958 9.6642 9.6642 9.6642 9.6642 k = 0.0216 0.7936 0.6527 ( 5330 PWs) bands (ev): -7.0043 -7.0043 -7.0016 -7.0016 -6.7275 -6.7275 -6.7267 -6.7267 -6.4291 -6.4291 -6.4235 -6.4235 -4.5653 -4.5653 -4.5651 -4.5651 -4.5164 -4.5164 -4.5133 -4.5133 -4.4347 -4.4347 -4.4346 -4.4346 0.2225 0.2225 0.2290 0.2290 1.9075 1.9075 1.9427 1.9427 2.3819 2.3819 2.4085 2.4085 3.8578 3.8578 3.8646 3.8646 8.1655 8.1655 8.2245 8.2245 9.6371 9.6371 9.6967 9.6967 k = 0.0433 0.7936 0.6527 ( 5322 PWs) bands (ev): -7.0055 -7.0055 -7.0001 -7.0001 -6.7278 -6.7278 -6.7263 -6.7263 -6.4320 -6.4320 -6.4209 -6.4209 -4.5654 -4.5654 -4.5650 -4.5650 -4.5179 -4.5179 -4.5118 -4.5118 -4.4349 -4.4349 -4.4347 -4.4347 0.2173 0.2173 0.2303 0.2303 1.8809 1.8809 1.9473 1.9473 2.3895 2.3895 2.4386 2.4386 3.8517 3.8517 3.8653 3.8653 8.1342 8.1342 8.2510 8.2510 9.6158 9.6158 9.7342 9.7342 k = 0.0649 0.7936 0.6527 ( 5324 PWs) bands (ev): -7.0065 -7.0065 -6.9985 -6.9985 -6.7282 -6.7282 -6.7259 -6.7259 -6.4350 -6.4350 -6.4184 -6.4184 -4.5656 -4.5656 -4.5649 -4.5649 -4.5194 -4.5194 -4.5104 -4.5104 -4.4352 -4.4352 -4.4348 -4.4348 0.2110 0.2110 0.2301 0.2301 1.8521 1.8521 1.9433 1.9433 2.4106 2.4106 2.4763 2.4763 3.8442 3.8442 3.8644 3.8644 8.1023 8.1023 8.2746 8.2746 9.6006 9.6006 9.7758 9.7758 k = 0.0866 0.7936 0.6527 ( 5332 PWs) bands (ev): -7.0074 -7.0074 -6.9969 -6.9969 -6.7285 -6.7285 -6.7255 -6.7255 -6.4379 -6.4379 -6.4163 -6.4163 -4.5657 -4.5657 -4.5649 -4.5649 -4.5208 -4.5208 -4.5090 -4.5090 -4.4355 -4.4355 -4.4351 -4.4351 0.2036 0.2036 0.2285 0.2285 1.8230 1.8230 1.9328 1.9328 2.4426 2.4426 2.5190 2.5190 3.8354 3.8354 3.8620 3.8620 8.0705 8.0705 8.2947 8.2947 9.5915 9.5915 9.8210 9.8210 k = 0.1082 0.7936 0.6527 ( 5332 PWs) bands (ev): -7.0081 -7.0081 -6.9953 -6.9953 -6.7288 -6.7288 -6.7252 -6.7252 -6.4408 -6.4408 -6.4144 -6.4144 -4.5658 -4.5658 -4.5648 -4.5648 -4.5221 -4.5221 -4.5077 -4.5077 -4.4360 -4.4360 -4.4354 -4.4354 0.1952 0.1952 0.2254 0.2254 1.7954 1.7954 1.9188 1.9188 2.4822 2.4822 2.5648 2.5648 3.8257 3.8257 3.8585 3.8585 8.0389 8.0389 8.3109 8.3109 9.5883 9.5883 9.8687 9.8687 k = 0.1299 0.7936 0.6527 ( 5330 PWs) bands (ev): -7.0086 -7.0086 -6.9937 -6.9937 -6.7291 -6.7291 -6.7248 -6.7248 -6.4435 -6.4435 -6.4128 -6.4128 -4.5659 -4.5659 -4.5648 -4.5648 -4.5233 -4.5233 -4.5065 -4.5065 -4.4365 -4.4365 -4.4357 -4.4357 0.1860 0.1860 0.2209 0.2209 1.7704 1.7704 1.9036 1.9036 2.5264 2.5264 2.6119 2.6119 3.8157 3.8157 3.8544 3.8544 8.0081 8.0081 8.3228 8.3228 9.5904 9.5904 9.9177 9.9177 k = 0.1515 0.7936 0.6527 ( 5330 PWs) bands (ev): -7.0089 -7.0089 -6.9922 -6.9922 -6.7294 -6.7294 -6.7245 -6.7245 -6.4460 -6.4460 -6.4115 -6.4115 -4.5661 -4.5661 -4.5648 -4.5648 -4.5244 -4.5244 -4.5055 -4.5055 -4.4371 -4.4371 -4.4361 -4.4361 0.1760 0.1760 0.2151 0.2151 1.7488 1.7488 1.8889 1.8889 2.5725 2.5725 2.6589 2.6589 3.8060 3.8060 3.8502 3.8502 7.9784 7.9784 8.3301 8.3301 9.5969 9.5969 9.9666 9.9666 k = 0.1732 0.7936 0.6527 ( 5338 PWs) bands (ev): -7.0090 -7.0090 -6.9908 -6.9908 -6.7296 -6.7296 -6.7243 -6.7243 -6.4484 -6.4484 -6.4106 -6.4106 -4.5662 -4.5662 -4.5648 -4.5648 -4.5253 -4.5253 -4.5046 -4.5046 -4.4378 -4.4378 -4.4366 -4.4366 0.1654 0.1654 0.2079 0.2079 1.7311 1.7311 1.8760 1.8760 2.6184 2.6184 2.7044 2.7044 3.7972 3.7972 3.8463 3.8463 7.9501 7.9501 8.3329 8.3329 9.6066 9.6066 10.0136 10.0136 k = 0.1948 0.7936 0.6527 ( 5336 PWs) bands (ev): -7.0090 -7.0090 -6.9895 -6.9895 -6.7298 -6.7298 -6.7240 -6.7240 -6.4505 -6.4505 -6.4101 -6.4101 -4.5663 -4.5663 -4.5648 -4.5648 -4.5261 -4.5261 -4.5038 -4.5038 -4.4386 -4.4386 -4.4372 -4.4372 0.1544 0.1544 0.1996 0.1996 1.7177 1.7177 1.8656 1.8656 2.6623 2.6623 2.7470 2.7470 3.7902 3.7902 3.8436 3.8436 7.9235 7.9235 8.3314 8.3314 9.6178 9.6178 10.0564 10.0564 k = 0.2165 0.7936 0.6527 ( 5346 PWs) bands (ev): -7.0087 -7.0087 -6.9883 -6.9883 -6.7300 -6.7300 -6.7239 -6.7239 -6.4524 -6.4524 -6.4101 -6.4101 -4.5664 -4.5664 -4.5649 -4.5649 -4.5267 -4.5267 -4.5032 -4.5032 -4.4394 -4.4394 -4.4377 -4.4377 0.1432 0.1432 0.1902 0.1902 1.7087 1.7087 1.8582 1.8582 2.7025 2.7025 2.7856 2.7856 3.7857 3.7857 3.8426 3.8426 7.8990 7.8990 8.3260 8.3260 9.6287 9.6287 10.0927 10.0927 k = 0.2381 0.7936 0.6527 ( 5344 PWs) bands (ev): -7.0082 -7.0082 -6.9873 -6.9873 -6.7301 -6.7301 -6.7237 -6.7237 -6.4539 -6.4539 -6.4104 -6.4104 -4.5665 -4.5665 -4.5649 -4.5649 -4.5271 -4.5271 -4.5028 -4.5028 -4.4402 -4.4402 -4.4384 -4.4384 0.1318 0.1318 0.1800 0.1800 1.7044 1.7044 1.8542 1.8542 2.7377 2.7377 2.8190 2.8190 3.7843 3.7843 3.8439 3.8439 7.8771 7.8771 8.3171 8.3171 9.6373 9.6373 10.1200 10.1200 k = 0.2598 0.7936 0.6527 ( 5344 PWs) bands (ev): -7.0075 -7.0075 -6.9865 -6.9865 -6.7302 -6.7302 -6.7237 -6.7237 -6.4551 -6.4551 -6.4112 -6.4112 -4.5666 -4.5666 -4.5650 -4.5650 -4.5273 -4.5273 -4.5026 -4.5026 -4.4411 -4.4411 -4.4390 -4.4390 0.1205 0.1205 0.1692 0.1692 1.7046 1.7046 1.8536 1.8536 2.7667 2.7667 2.8463 2.8463 3.7867 3.7867 3.8477 3.8477 7.8581 7.8581 8.3055 8.3055 9.6421 9.6421 10.1359 10.1359 k = 0.2814 0.7936 0.6527 ( 5340 PWs) bands (ev): -7.0067 -7.0067 -6.9859 -6.9859 -6.7302 -6.7302 -6.7237 -6.7237 -6.4560 -6.4560 -6.4124 -6.4124 -4.5666 -4.5666 -4.5651 -4.5651 -4.5273 -4.5273 -4.5027 -4.5027 -4.4420 -4.4420 -4.4397 -4.4397 0.1095 0.1095 0.1579 0.1579 1.7093 1.7093 1.8564 1.8564 2.7887 2.7887 2.8669 2.8669 3.7930 3.7930 3.8543 3.8543 7.8427 7.8427 8.2918 8.2918 9.6417 9.6417 10.1392 10.1392 k = 0.2814 0.7936 0.6527 ( 5340 PWs) bands (ev): -7.0067 -7.0067 -6.9859 -6.9859 -6.7302 -6.7302 -6.7237 -6.7237 -6.4560 -6.4560 -6.4124 -6.4124 -4.5666 -4.5666 -4.5651 -4.5651 -4.5273 -4.5273 -4.5027 -4.5027 -4.4420 -4.4420 -4.4397 -4.4397 0.1095 0.1095 0.1579 0.1579 1.7093 1.7093 1.8564 1.8564 2.7887 2.7887 2.8669 2.8669 3.7930 3.7930 3.8543 3.8543 7.8427 7.8427 8.2918 8.2918 9.6417 9.6417 10.1392 10.1392 k = 0.2742 0.7732 0.6527 ( 5340 PWs) bands (ev): -7.0093 -7.0093 -6.9872 -6.9872 -6.7301 -6.7301 -6.7236 -6.7236 -6.4542 -6.4542 -6.4085 -6.4085 -4.5665 -4.5665 -4.5648 -4.5648 -4.5276 -4.5276 -4.5023 -4.5023 -4.4396 -4.4396 -4.4378 -4.4378 0.1401 0.1401 0.1899 0.1899 1.6920 1.6920 1.8462 1.8462 2.7360 2.7360 2.8184 2.8184 3.7684 3.7684 3.8308 3.8308 7.8824 7.8824 8.3344 8.3344 9.6495 9.6495 10.1472 10.1472 k = 0.2670 0.7529 0.6527 ( 5344 PWs) bands (ev): -7.0116 -7.0116 -6.9882 -6.9882 -6.7301 -6.7301 -6.7235 -6.7235 -6.4531 -6.4531 -6.4053 -6.4053 -4.5663 -4.5663 -4.5646 -4.5646 -4.5279 -4.5279 -4.5020 -4.5020 -4.4376 -4.4376 -4.4362 -4.4362 0.1669 0.1669 0.2176 0.2176 1.6817 1.6817 1.8429 1.8429 2.6877 2.6877 2.7751 2.7751 3.7441 3.7441 3.8075 3.8075 7.9205 7.9205 8.3754 8.3754 9.6542 9.6542 10.1518 10.1518 k = 0.2598 0.7325 0.6527 ( 5350 PWs) bands (ev): -7.0136 -7.0136 -6.9890 -6.9890 -6.7301 -6.7301 -6.7234 -6.7234 -6.4528 -6.4528 -6.4028 -6.4028 -4.5661 -4.5661 -4.5645 -4.5645 -4.5283 -4.5283 -4.5017 -4.5017 -4.4361 -4.4361 -4.4351 -4.4351 0.1894 0.1894 0.2404 0.2404 1.6785 1.6785 1.8468 1.8468 2.6443 2.6443 2.7374 2.7374 3.7201 3.7201 3.7844 3.7844 7.9571 7.9571 8.4147 8.4147 9.6557 9.6557 10.1534 10.1534 k = 0.2526 0.7122 0.6527 ( 5338 PWs) bands (ev): -7.0153 -7.0153 -6.9893 -6.9893 -6.7300 -6.7300 -6.7233 -6.7233 -6.4530 -6.4530 -6.4011 -6.4011 -4.5659 -4.5659 -4.5644 -4.5644 -4.5286 -4.5286 -4.5016 -4.5016 -4.4350 -4.4350 -4.4344 -4.4344 0.2072 0.2072 0.2578 0.2578 1.6826 1.6826 1.8579 1.8579 2.6061 2.6061 2.7059 2.7059 3.6965 3.6965 3.7614 3.7614 7.9920 7.9920 8.4524 8.4524 9.6542 9.6542 10.1520 10.1520 k = 0.2454 0.6919 0.6527 ( 5334 PWs) bands (ev): -7.0166 -7.0166 -6.9894 -6.9894 -6.7300 -6.7300 -6.7232 -6.7232 -6.4540 -6.4540 -6.4001 -6.4001 -4.5658 -4.5658 -4.5643 -4.5643 -4.5290 -4.5290 -4.5015 -4.5015 -4.4345 -4.4345 -4.4340 -4.4340 0.2200 0.2200 0.2696 0.2696 1.6937 1.6937 1.8763 1.8763 2.5733 2.5733 2.6810 2.6810 3.6734 3.6734 3.7387 3.7387 8.0253 8.0253 8.4885 8.4885 9.6497 9.6497 10.1476 10.1476 k = 0.2381 0.6715 0.6527 ( 5324 PWs) bands (ev): -7.0176 -7.0176 -6.9892 -6.9892 -6.7300 -6.7300 -6.7231 -6.7231 -6.4557 -6.4557 -6.3998 -6.3998 -4.5656 -4.5656 -4.5644 -4.5644 -4.5294 -4.5294 -4.5015 -4.5015 -4.4344 -4.4344 -4.4341 -4.4341 0.2278 0.2278 0.2757 0.2757 1.7116 1.7116 1.9017 1.9017 2.5462 2.5462 2.6631 2.6631 3.6511 3.6511 3.7164 3.7164 8.0569 8.0569 8.5227 8.5227 9.6423 9.6423 10.1401 10.1401 k = 0.2309 0.6512 0.6527 ( 5332 PWs) bands (ev): -7.0183 -7.0183 -6.9887 -6.9887 -6.7300 -6.7300 -6.7231 -6.7231 -6.4580 -6.4580 -6.4003 -6.4003 -4.5654 -4.5654 -4.5644 -4.5644 -4.5299 -4.5299 -4.5015 -4.5015 -4.4348 -4.4348 -4.4346 -4.4346 0.2305 0.2305 0.2762 0.2762 1.7355 1.7355 1.9337 1.9337 2.5250 2.5250 2.6526 2.6526 3.6299 3.6299 3.6947 3.6947 8.0867 8.0867 8.5551 8.5551 9.6322 9.6322 10.1294 10.1294 k = 0.2237 0.6308 0.6527 ( 5328 PWs) bands (ev): -7.0187 -7.0187 -6.9879 -6.9879 -6.7300 -6.7300 -6.7230 -6.7230 -6.4609 -6.4609 -6.4014 -6.4014 -4.5652 -4.5652 -4.5646 -4.5646 -4.5303 -4.5303 -4.5017 -4.5017 -4.4356 -4.4356 -4.4355 -4.4355 0.2284 0.2284 0.2714 0.2714 1.7648 1.7648 1.9718 1.9718 2.5097 2.5097 2.6498 2.6498 3.6099 3.6099 3.6736 3.6736 8.1145 8.1145 8.5853 8.5853 9.6195 9.6195 10.1152 10.1152 k = 0.2165 0.6105 0.6527 ( 5336 PWs) bands (ev): -7.0188 -7.0188 -6.9868 -6.9868 -6.7300 -6.7300 -6.7229 -6.7229 -6.4645 -6.4645 -6.4033 -6.4033 -4.5651 -4.5651 -4.5648 -4.5648 -4.5308 -4.5308 -4.5019 -4.5019 -4.4369 -4.4369 -4.4367 -4.4367 0.2216 0.2216 0.2617 0.2617 1.7985 1.7985 2.0154 2.0154 2.5004 2.5004 2.6551 2.6551 3.5916 3.5916 3.6535 3.6535 8.1402 8.1402 8.6130 8.6130 9.6045 9.6045 10.0971 10.0971 k = 0.2093 0.5901 0.6527 ( 5320 PWs) bands (ev): -7.0185 -7.0185 -6.9854 -6.9854 -6.7300 -6.7300 -6.7228 -6.7228 -6.4686 -6.4686 -6.4059 -6.4059 -4.5651 -4.5651 -4.5649 -4.5649 -4.5312 -4.5312 -4.5022 -4.5022 -4.4387 -4.4387 -4.4383 -4.4383 0.2107 0.2107 0.2476 0.2476 1.8356 1.8356 2.0635 2.0635 2.4971 2.4971 2.6686 2.6686 3.5754 3.5754 3.6346 3.6346 8.1636 8.1636 8.6379 8.6379 9.5874 9.5874 10.0750 10.0750 k = 0.2021 0.5698 0.6527 ( 5336 PWs) bands (ev): -7.0180 -7.0180 -6.9838 -6.9838 -6.7301 -6.7301 -6.7227 -6.7227 -6.4734 -6.4734 -6.4091 -6.4091 -4.5654 -4.5654 -4.5647 -4.5647 -4.5317 -4.5317 -4.5026 -4.5026 -4.4408 -4.4408 -4.4402 -4.4402 0.1961 0.1961 0.2298 0.2298 1.8752 1.8752 2.1153 2.1153 2.4997 2.4997 2.6905 2.6905 3.5617 3.5617 3.6171 3.6171 8.1845 8.1845 8.6594 8.6594 9.5686 9.5686 10.0482 10.0482 k = 0.1948 0.5494 0.6527 ( 5332 PWs) bands (ev): -7.0171 -7.0171 -6.9818 -6.9818 -6.7301 -6.7301 -6.7226 -6.7226 -6.4786 -6.4786 -6.4130 -6.4130 -4.5658 -4.5658 -4.5645 -4.5645 -4.5322 -4.5322 -4.5031 -4.5031 -4.4434 -4.4434 -4.4424 -4.4424 0.1782 0.1782 0.2088 0.2088 1.9163 1.9163 2.1698 2.1698 2.5080 2.5080 2.7205 2.7205 3.5513 3.5513 3.6014 3.6014 8.2026 8.2026 8.6770 8.6770 9.5485 9.5485 10.0163 10.0163 k = 0.1876 0.5291 0.6527 ( 5324 PWs) bands (ev): -7.0159 -7.0159 -6.9797 -6.9797 -6.7302 -6.7302 -6.7225 -6.7225 -6.4844 -6.4844 -6.4176 -6.4176 -4.5663 -4.5663 -4.5643 -4.5643 -4.5326 -4.5326 -4.5036 -4.5036 -4.4463 -4.4463 -4.4448 -4.4448 0.1575 0.1575 0.1851 0.1851 1.9582 1.9582 2.2258 2.2258 2.5220 2.5220 2.7584 2.7584 3.5447 3.5447 3.5878 3.5878 8.2175 8.2175 8.6898 8.6898 9.5272 9.5272 9.9788 9.9788 k = 0.1804 0.5087 0.6527 ( 5322 PWs) bands (ev): -7.0144 -7.0144 -6.9772 -6.9772 -6.7302 -6.7302 -6.7224 -6.7224 -6.4907 -6.4907 -6.4227 -6.4227 -4.5668 -4.5668 -4.5640 -4.5640 -4.5330 -4.5330 -4.5043 -4.5043 -4.4496 -4.4496 -4.4475 -4.4475 0.1345 0.1345 0.1593 0.1593 2.0002 2.0002 2.2821 2.2821 2.5414 2.5414 2.8037 2.8037 3.5427 3.5427 3.5769 3.5769 8.2290 8.2290 8.6971 8.6971 9.5054 9.5054 9.9352 9.9352 k = 0.1732 0.4884 0.6527 ( 5322 PWs) bands (ev): -7.0126 -7.0126 -6.9746 -6.9746 -6.7303 -6.7303 -6.7222 -6.7222 -6.4974 -6.4974 -6.4285 -6.4285 -4.5673 -4.5673 -4.5638 -4.5638 -4.5335 -4.5335 -4.5050 -4.5050 -4.4531 -4.4531 -4.4504 -4.4504 0.1097 0.1097 0.1320 0.1320 2.0419 2.0419 2.3372 2.3372 2.5663 2.5663 2.8556 2.8556 3.5461 3.5461 3.5691 3.5691 8.2367 8.2367 8.6978 8.6978 9.4830 9.4830 9.8851 9.8851 k = 0.1660 0.4680 0.6527 ( 5314 PWs) bands (ev): -7.0105 -7.0105 -6.9717 -6.9717 -6.7304 -6.7304 -6.7221 -6.7221 -6.5045 -6.5045 -6.4347 -6.4347 -4.5679 -4.5679 -4.5635 -4.5635 -4.5339 -4.5339 -4.5059 -4.5059 -4.4568 -4.4568 -4.4534 -4.4534 0.0835 0.0835 0.1034 0.1034 2.0829 2.0829 2.3895 2.3895 2.5967 2.5967 2.9132 2.9132 3.5559 3.5559 3.5651 3.5651 8.2401 8.2401 8.6912 8.6912 9.4604 9.4604 9.8283 9.8283 k = 0.1588 0.4477 0.6527 ( 5322 PWs) bands (ev): -7.0081 -7.0081 -6.9687 -6.9687 -6.7305 -6.7305 -6.7220 -6.7220 -6.5119 -6.5119 -6.4415 -6.4415 -4.5686 -4.5686 -4.5633 -4.5633 -4.5343 -4.5343 -4.5068 -4.5068 -4.4608 -4.4608 -4.4566 -4.4566 0.0563 0.0563 0.0741 0.0741 2.1228 2.1228 2.4373 2.4373 2.6327 2.6327 2.9753 2.9753 3.5657 3.5657 3.5728 3.5728 8.2389 8.2389 8.6764 8.6764 9.4372 9.4372 9.7650 9.7650 k = 0.1515 0.4273 0.6527 ( 5318 PWs) bands (ev): -7.0055 -7.0055 -6.9654 -6.9654 -6.7305 -6.7305 -6.7218 -6.7218 -6.5196 -6.5196 -6.4488 -6.4488 -4.5693 -4.5693 -4.5630 -4.5630 -4.5347 -4.5347 -4.5079 -4.5079 -4.4648 -4.4648 -4.4599 -4.4599 0.0285 0.0285 0.0444 0.0444 2.1614 2.1614 2.4791 2.4791 2.6747 2.6747 3.0404 3.0404 3.5719 3.5719 3.5975 3.5975 8.2325 8.2325 8.6528 8.6528 9.4129 9.4129 9.6957 9.6957 k = 0.1443 0.4070 0.6527 ( 5322 PWs) bands (ev): -7.0025 -7.0025 -6.9620 -6.9620 -6.7306 -6.7306 -6.7217 -6.7217 -6.5276 -6.5276 -6.4565 -6.4565 -4.5700 -4.5700 -4.5627 -4.5627 -4.5351 -4.5351 -4.5091 -4.5091 -4.4690 -4.4690 -4.4632 -4.4632 0.0004 0.0004 0.0146 0.0146 2.1986 2.1986 2.5140 2.5140 2.7222 2.7222 3.1069 3.1069 3.5850 3.5850 3.6304 3.6304 8.2204 8.2204 8.6199 8.6199 9.3866 9.3866 9.6213 9.6213 k = 0.1371 0.3866 0.6527 ( 5318 PWs) bands (ev): -6.9993 -6.9993 -6.9584 -6.9584 -6.7307 -6.7307 -6.7215 -6.7215 -6.5357 -6.5357 -6.4646 -6.4646 -4.5707 -4.5707 -4.5624 -4.5624 -4.5355 -4.5355 -4.5104 -4.5104 -4.4731 -4.4731 -4.4666 -4.4666 -0.0277 -0.0277 -0.0151 -0.0151 2.2340 2.2340 2.5420 2.5420 2.7747 2.7747 3.1726 3.1726 3.6064 3.6064 3.6715 3.6715 8.2023 8.2023 8.5778 8.5778 9.3573 9.3573 9.5430 9.5430 k = 0.1299 0.3663 0.6527 ( 5314 PWs) bands (ev): -6.9958 -6.9958 -6.9548 -6.9548 -6.7308 -6.7308 -6.7214 -6.7214 -6.5440 -6.5440 -6.4730 -6.4730 -4.5714 -4.5714 -4.5621 -4.5621 -4.5358 -4.5358 -4.5119 -4.5119 -4.4772 -4.4772 -4.4700 -4.4700 -0.0556 -0.0556 -0.0443 -0.0443 2.2674 2.2674 2.5634 2.5634 2.8312 2.8312 3.2358 3.2358 3.6376 3.6376 3.7206 3.7206 8.1778 8.1778 8.5265 8.5265 9.3237 9.3237 9.4622 9.4622 k = 0.1227 0.3459 0.6527 ( 5330 PWs) bands (ev): -6.9921 -6.9921 -6.9510 -6.9510 -6.7308 -6.7308 -6.7212 -6.7212 -6.5523 -6.5523 -6.4817 -6.4817 -4.5722 -4.5722 -4.5618 -4.5618 -4.5362 -4.5362 -4.5136 -4.5136 -4.4811 -4.4811 -4.4733 -4.4733 -0.0829 -0.0829 -0.0728 -0.0728 2.2986 2.2986 2.5789 2.5789 2.8908 2.8908 3.2946 3.2946 3.6797 3.6797 3.7769 3.7769 8.1464 8.1464 8.4667 8.4667 9.2851 9.2851 9.3803 9.3803 k = 0.1155 0.3256 0.6527 ( 5346 PWs) bands (ev): -6.9882 -6.9882 -6.9472 -6.9472 -6.7309 -6.7309 -6.7210 -6.7210 -6.5607 -6.5607 -6.4906 -6.4906 -4.5729 -4.5729 -4.5615 -4.5615 -4.5365 -4.5365 -4.5155 -4.5155 -4.4849 -4.4849 -4.4766 -4.4766 -0.1095 -0.1095 -0.1005 -0.1005 2.3273 2.3273 2.5894 2.5894 2.9530 2.9530 3.3482 3.3482 3.7329 3.7329 3.8396 3.8396 8.1081 8.1081 8.3990 8.3990 9.2412 9.2412 9.2989 9.2989 k = 0.1082 0.3052 0.6527 ( 5358 PWs) bands (ev): -6.9841 -6.9841 -6.9434 -6.9434 -6.7310 -6.7310 -6.7208 -6.7208 -6.5689 -6.5689 -6.4998 -6.4998 -4.5736 -4.5736 -4.5612 -4.5612 -4.5368 -4.5368 -4.5176 -4.5176 -4.4884 -4.4884 -4.4798 -4.4798 -0.1352 -0.1352 -0.1272 -0.1272 2.3535 2.3535 2.5956 2.5956 3.0172 3.0172 3.3971 3.3971 3.7961 3.7961 3.9074 3.9074 8.0630 8.0630 8.3244 8.3244 9.1926 9.1926 9.2191 9.2191 k = 0.1010 0.2849 0.6527 ( 5354 PWs) bands (ev): -6.9798 -6.9798 -6.9396 -6.9396 -6.7310 -6.7310 -6.7207 -6.7207 -6.5769 -6.5769 -6.5091 -6.5091 -4.5742 -4.5742 -4.5609 -4.5609 -4.5371 -4.5371 -4.5199 -4.5199 -4.4916 -4.4916 -4.4830 -4.4830 -0.1599 -0.1599 -0.1527 -0.1527 2.3769 2.3769 2.5982 2.5982 3.0828 3.0828 3.4423 3.4423 3.8672 3.8672 3.9791 3.9791 8.0112 8.0112 8.2439 8.2439 9.1402 9.1402 9.1421 9.1421 k = 0.0938 0.2645 0.6527 ( 5346 PWs) bands (ev): -6.9753 -6.9753 -6.9359 -6.9359 -6.7310 -6.7310 -6.7205 -6.7205 -6.5847 -6.5847 -6.5184 -6.5184 -4.5747 -4.5747 -4.5606 -4.5606 -4.5374 -4.5374 -4.5224 -4.5224 -4.4944 -4.4944 -4.4859 -4.4859 -0.1833 -0.1833 -0.1769 -0.1769 2.3977 2.3977 2.5980 2.5980 3.1494 3.1494 3.4852 3.4852 3.9438 3.9438 4.0535 4.0535 7.9533 7.9533 8.1588 8.1588 9.0686 9.0686 9.0852 9.0852 k = 0.0866 0.2442 0.6527 ( 5350 PWs) bands (ev): -6.9706 -6.9706 -6.9323 -6.9323 -6.7310 -6.7310 -6.7204 -6.7204 -6.5921 -6.5921 -6.5278 -6.5278 -4.5752 -4.5752 -4.5604 -4.5604 -4.5377 -4.5377 -4.5251 -4.5251 -4.4969 -4.4969 -4.4888 -4.4888 -0.2054 -0.2054 -0.1997 -0.1997 2.4159 2.4159 2.5956 2.5956 3.2164 3.2164 3.5267 3.5267 4.0237 4.0237 4.1294 4.1294 7.8904 7.8904 8.0705 8.0705 8.9993 8.9993 9.0291 9.0291 k = 0.0794 0.2238 0.6527 ( 5354 PWs) bands (ev): -6.9659 -6.9659 -6.9289 -6.9289 -6.7309 -6.7309 -6.7203 -6.7203 -6.5991 -6.5991 -6.5371 -6.5371 -4.5756 -4.5756 -4.5603 -4.5603 -4.5380 -4.5380 -4.5278 -4.5278 -4.4990 -4.4990 -4.4915 -4.4915 -0.2261 -0.2261 -0.2210 -0.2210 2.4316 2.4316 2.5915 2.5915 3.2832 3.2832 3.5673 3.5673 4.1051 4.1051 4.2053 4.2053 7.8236 7.8236 7.9803 7.9803 8.9346 8.9346 8.9728 8.9728 k = 0.0722 0.2035 0.6527 ( 5366 PWs) bands (ev): -6.9611 -6.9611 -6.9258 -6.9258 -6.7308 -6.7308 -6.7203 -6.7203 -6.6055 -6.6055 -6.5464 -6.5464 -4.5759 -4.5759 -4.5603 -4.5603 -4.5383 -4.5383 -4.5305 -4.5305 -4.5008 -4.5008 -4.4940 -4.4940 -0.2452 -0.2452 -0.2407 -0.2407 2.4452 2.4452 2.5861 2.5861 3.3492 3.3492 3.6070 3.6070 4.1862 4.1862 4.2803 4.2803 7.7542 7.7542 7.8897 7.8897 8.8746 8.8746 8.9176 8.9176 k = 0.0649 0.1831 0.6527 ( 5358 PWs) bands (ev): -6.9562 -6.9562 -6.9229 -6.9229 -6.7307 -6.7307 -6.7203 -6.7203 -6.6112 -6.6112 -6.5554 -6.5554 -4.5761 -4.5761 -4.5604 -4.5604 -4.5385 -4.5385 -4.5330 -4.5330 -4.5024 -4.5024 -4.4963 -4.4963 -0.2627 -0.2627 -0.2588 -0.2588 2.4568 2.4568 2.5799 2.5799 3.4137 3.4137 3.6453 3.6453 4.2658 4.2658 4.3530 4.3530 7.6840 7.6840 7.8004 7.8004 8.8196 8.8196 8.8642 8.8642 k = 0.0577 0.1628 0.6527 ( 5346 PWs) bands (ev): -6.9514 -6.9514 -6.9204 -6.9204 -6.7305 -6.7305 -6.7205 -6.7205 -6.6161 -6.6161 -6.5643 -6.5643 -4.5761 -4.5761 -4.5608 -4.5608 -4.5388 -4.5388 -4.5353 -4.5353 -4.5037 -4.5037 -4.4984 -4.4984 -0.2785 -0.2785 -0.2751 -0.2751 2.4667 2.4667 2.5731 2.5731 3.4759 3.4759 3.6816 3.6816 4.3424 4.3424 4.4223 4.4223 7.6147 7.6147 7.7137 7.7137 8.7697 8.7697 8.8135 8.8135 k = 0.0505 0.1424 0.6527 ( 5346 PWs) bands (ev): -6.9466 -6.9466 -6.9184 -6.9184 -6.7302 -6.7302 -6.7207 -6.7207 -6.6201 -6.6201 -6.5728 -6.5728 -4.5760 -4.5760 -4.5613 -4.5613 -4.5391 -4.5391 -4.5373 -4.5373 -4.5048 -4.5048 -4.5003 -4.5003 -0.2926 -0.2926 -0.2897 -0.2897 2.4754 2.4754 2.5660 2.5660 3.5351 3.5351 3.7152 3.7152 4.4150 4.4150 4.4869 4.4869 7.5481 7.5481 7.6314 7.6314 8.7250 8.7250 8.7662 8.7662 k = 0.0433 0.1221 0.6527 ( 5346 PWs) bands (ev): -6.9420 -6.9420 -6.9169 -6.9169 -6.7299 -6.7299 -6.7212 -6.7212 -6.6231 -6.6231 -6.5810 -6.5810 -4.5757 -4.5757 -4.5622 -4.5622 -4.5394 -4.5394 -4.5389 -4.5389 -4.5058 -4.5058 -4.5020 -4.5020 -0.3049 -0.3049 -0.3024 -0.3024 2.4830 2.4830 2.5588 2.5588 3.5905 3.5905 3.7450 3.7450 4.4822 4.4822 4.5455 4.5455 7.4860 7.4860 7.5550 7.5550 8.6859 8.6859 8.7230 8.7230 k = 0.0361 0.1017 0.6527 ( 5338 PWs) bands (ev): -6.9375 -6.9375 -6.9159 -6.9159 -6.7294 -6.7294 -6.7218 -6.7218 -6.6250 -6.6250 -6.5888 -6.5888 -4.5753 -4.5753 -4.5633 -4.5633 -4.5401 -4.5401 -4.5398 -4.5398 -4.5065 -4.5065 -4.5035 -4.5035 -0.3153 -0.3153 -0.3132 -0.3132 2.4897 2.4897 2.5517 2.5517 3.6412 3.6412 3.7702 3.7702 4.5429 4.5429 4.5970 4.5970 7.4302 7.4302 7.4860 7.4860 8.6525 8.6525 8.6846 8.6846 k = 0.0289 0.0814 0.6527 ( 5334 PWs) bands (ev): -6.9333 -6.9333 -6.9155 -6.9155 -6.7289 -6.7289 -6.7225 -6.7225 -6.6258 -6.6258 -6.5960 -6.5960 -4.5746 -4.5746 -4.5646 -4.5646 -4.5408 -4.5408 -4.5401 -4.5401 -4.5071 -4.5071 -4.5047 -4.5047 -0.3238 -0.3238 -0.3222 -0.3222 2.4960 2.4960 2.5447 2.5447 3.6864 3.6864 3.7899 3.7899 4.5958 4.5958 4.6401 4.6401 7.3825 7.3825 7.4261 7.4261 8.6251 8.6251 8.6516 8.6516 k = 0.0216 0.0610 0.6527 ( 5330 PWs) bands (ev): -6.9293 -6.9293 -6.9157 -6.9157 -6.7283 -6.7283 -6.7233 -6.7233 -6.6255 -6.6255 -6.6027 -6.6027 -4.5738 -4.5738 -4.5660 -4.5660 -4.5413 -4.5413 -4.5404 -4.5404 -4.5074 -4.5074 -4.5057 -4.5057 -0.3304 -0.3304 -0.3292 -0.3292 2.5019 2.5019 2.5379 2.5379 3.7254 3.7254 3.8032 3.8032 4.6398 4.6398 4.6737 4.6737 7.3446 7.3446 7.3766 7.3766 8.6043 8.6043 8.6244 8.6244 k = 0.0144 0.0407 0.6527 ( 5338 PWs) bands (ev): -6.9258 -6.9258 -6.9165 -6.9165 -6.7276 -6.7276 -6.7242 -6.7242 -6.6242 -6.6242 -6.6086 -6.6086 -4.5729 -4.5729 -4.5675 -4.5675 -4.5414 -4.5414 -4.5407 -4.5407 -4.5077 -4.5077 -4.5065 -4.5065 -0.3351 -0.3351 -0.3343 -0.3343 2.5076 2.5076 2.5314 2.5314 3.7575 3.7575 3.8095 3.8095 4.6739 4.6739 4.6968 4.6968 7.3178 7.3178 7.3388 7.3388 8.5901 8.5901 8.6037 8.6037 k = 0.0072 0.0203 0.6527 ( 5326 PWs) bands (ev): -6.9226 -6.9226 -6.9180 -6.9180 -6.7268 -6.7268 -6.7251 -6.7251 -6.6217 -6.6217 -6.6139 -6.6139 -4.5717 -4.5717 -4.5690 -4.5690 -4.5414 -4.5414 -4.5410 -4.5410 -4.5077 -4.5077 -4.5071 -4.5071 -0.3379 -0.3379 -0.3375 -0.3375 2.5133 2.5133 2.5252 2.5252 3.7823 3.7823 3.8083 3.8083 4.6970 4.6970 4.7086 4.7086 7.3033 7.3033 7.3137 7.3137 8.5829 8.5829 8.5897 8.5897 k = 0.0000 0.0000 0.6527 ( 5318 PWs) bands (ev): -6.9200 -6.9200 -6.9200 -6.9200 -6.7260 -6.7260 -6.7260 -6.7260 -6.6182 -6.6182 -6.6182 -6.6182 -4.5704 -4.5704 -4.5704 -4.5704 -4.5413 -4.5413 -4.5413 -4.5413 -4.5075 -4.5075 -4.5075 -4.5075 -0.3386 -0.3386 -0.3386 -0.3386 2.5192 2.5192 2.5192 2.5192 3.7992 3.7992 3.7992 3.7992 4.7087 4.7087 4.7087 4.7087 7.3018 7.3018 7.3018 7.3018 8.5828 8.5828 8.5828 8.5828 k = 0.0000 0.0000 0.6527 ( 5318 PWs) bands (ev): -6.9200 -6.9200 -6.9200 -6.9200 -6.7260 -6.7260 -6.7260 -6.7260 -6.6182 -6.6182 -6.6182 -6.6182 -4.5704 -4.5704 -4.5704 -4.5704 -4.5413 -4.5413 -4.5413 -4.5413 -4.5075 -4.5075 -4.5075 -4.5075 -0.3386 -0.3386 -0.3386 -0.3386 2.5192 2.5192 2.5192 2.5192 3.7992 3.7992 3.7992 3.7992 4.7087 4.7087 4.7087 4.7087 7.3018 7.3018 7.3018 7.3018 8.5828 8.5828 8.5828 8.5828 k = 0.0000 0.0000 0.6309 ( 5310 PWs) bands (ev): -6.9216 -6.9216 -6.9192 -6.9192 -6.7261 -6.7261 -6.7259 -6.7259 -6.6306 -6.6306 -6.6056 -6.6056 -4.5716 -4.5716 -4.5692 -4.5692 -4.5427 -4.5427 -4.5399 -4.5399 -4.5087 -4.5087 -4.5060 -4.5060 -0.3380 -0.3380 -0.3359 -0.3359 2.4762 2.4762 2.5616 2.5616 3.7871 3.7871 3.8091 3.8091 4.6922 4.6922 4.7167 4.7167 7.2816 7.2816 7.3318 7.3318 8.5818 8.5818 8.5913 8.5913 k = 0.0000 0.0000 0.6091 ( 5312 PWs) bands (ev): -6.9239 -6.9239 -6.9191 -6.9191 -6.7262 -6.7262 -6.7258 -6.7258 -6.6425 -6.6425 -6.5928 -6.5928 -4.5728 -4.5728 -4.5680 -4.5680 -4.5441 -4.5441 -4.5385 -4.5385 -4.5097 -4.5097 -4.5042 -4.5042 -0.3339 -0.3339 -0.3299 -0.3299 2.4331 2.4331 2.6032 2.6032 3.7726 3.7726 3.8168 3.8168 4.6675 4.6675 4.7163 4.7163 7.2715 7.2715 7.3710 7.3710 8.5884 8.5884 8.6073 8.6073 k = 0.0000 0.0000 0.5874 ( 5312 PWs) bands (ev): -6.9269 -6.9269 -6.9196 -6.9196 -6.7262 -6.7262 -6.7257 -6.7257 -6.6538 -6.6538 -6.5799 -6.5799 -4.5739 -4.5739 -4.5668 -4.5668 -4.5454 -4.5454 -4.5372 -4.5372 -4.5105 -4.5105 -4.5021 -4.5021 -0.3263 -0.3263 -0.3207 -0.3207 2.3900 2.3900 2.6437 2.6437 3.7557 3.7557 3.8226 3.8226 4.6348 4.6348 4.7079 4.7079 7.2715 7.2715 7.4186 7.4186 8.6025 8.6025 8.6306 8.6306 k = 0.0000 0.0000 0.5656 ( 5316 PWs) bands (ev): -6.9307 -6.9307 -6.9208 -6.9208 -6.7263 -6.7263 -6.7256 -6.7256 -6.6645 -6.6645 -6.5671 -6.5671 -4.5750 -4.5750 -4.5656 -4.5656 -4.5467 -4.5467 -4.5359 -4.5359 -4.5111 -4.5111 -4.4998 -4.4998 -0.3152 -0.3152 -0.3084 -0.3084 2.3472 2.3472 2.6828 2.6828 3.7361 3.7361 3.8266 3.8266 4.5948 4.5948 4.6920 4.6920 7.2815 7.2815 7.4739 7.4739 8.6242 8.6242 8.6611 8.6611 k = 0.0000 0.0000 0.5439 ( 5316 PWs) bands (ev): -6.9353 -6.9353 -6.9226 -6.9226 -6.7264 -6.7264 -6.7256 -6.7256 -6.6744 -6.6744 -6.5543 -6.5543 -4.5760 -4.5760 -4.5646 -4.5646 -4.5478 -4.5478 -4.5347 -4.5347 -4.5116 -4.5116 -4.4971 -4.4971 -0.3007 -0.3007 -0.2931 -0.2931 2.3048 2.3048 2.7201 2.7201 3.7138 3.7138 3.8291 3.8291 4.5484 4.5484 4.6693 4.6693 7.3010 7.3010 7.5359 7.5359 8.6531 8.6531 8.6986 8.6986 k = 0.0000 0.0000 0.5221 ( 5325 PWs) bands (ev): -6.9407 -6.9407 -6.9250 -6.9250 -6.7265 -6.7265 -6.7256 -6.7256 -6.6834 -6.6834 -6.5418 -6.5418 -4.5770 -4.5770 -4.5636 -4.5636 -4.5488 -4.5488 -4.5336 -4.5336 -4.5119 -4.5119 -4.4942 -4.4942 -0.2827 -0.2827 -0.2748 -0.2748 2.2631 2.2631 2.7552 2.7552 3.6887 3.6887 3.8302 3.8302 4.4966 4.4966 4.6407 4.6407 7.3296 7.3296 7.6035 7.6035 8.6889 8.6889 8.7430 8.7430 k = 0.0000 0.0000 0.5004 ( 5325 PWs) bands (ev): -6.9470 -6.9470 -6.9278 -6.9278 -6.7266 -6.7266 -6.7256 -6.7256 -6.6914 -6.6914 -6.5296 -6.5296 -4.5779 -4.5779 -4.5628 -4.5628 -4.5496 -4.5496 -4.5326 -4.5326 -4.5121 -4.5121 -4.4910 -4.4910 -0.2614 -0.2614 -0.2536 -0.2536 2.2223 2.2223 2.7877 2.7877 3.6606 3.6606 3.8302 3.8302 4.4406 4.4406 4.6070 4.6070 7.3666 7.3666 7.6759 7.6759 8.7314 8.7314 8.7941 8.7941 k = 0.0000 0.0000 0.4786 ( 5333 PWs) bands (ev): -6.9542 -6.9542 -6.9309 -6.9309 -6.7267 -6.7267 -6.7256 -6.7256 -6.6984 -6.6984 -6.5178 -6.5178 -4.5787 -4.5787 -4.5622 -4.5622 -4.5502 -4.5502 -4.5315 -4.5315 -4.5122 -4.5122 -4.4876 -4.4876 -0.2375 -0.2375 -0.2291 -0.2291 2.1824 2.1824 2.8171 2.8171 3.6292 3.6292 3.8291 3.8291 4.3819 4.3819 4.5690 4.5690 7.4111 7.4111 7.7520 7.7520 8.7798 8.7798 8.8517 8.8517 k = 0.0000 0.0000 0.4569 ( 5331 PWs) bands (ev): -6.9621 -6.9621 -6.9343 -6.9343 -6.7269 -6.7269 -6.7257 -6.7257 -6.7044 -6.7044 -6.5063 -6.5063 -4.5795 -4.5795 -4.5618 -4.5618 -4.5504 -4.5504 -4.5305 -4.5305 -4.5122 -4.5122 -4.4841 -4.4841 -0.2114 -0.2114 -0.2010 -0.2010 2.1438 2.1438 2.8431 2.8431 3.5944 3.5944 3.8271 3.8271 4.3219 4.3219 4.5277 4.5277 7.4625 7.4625 7.8310 7.8310 8.8334 8.8334 8.9157 8.9157 k = 0.0000 0.0000 0.4351 ( 5335 PWs) bands (ev): -6.9707 -6.9707 -6.9380 -6.9380 -6.7271 -6.7271 -6.7259 -6.7259 -6.7093 -6.7093 -6.4952 -6.4952 -4.5802 -4.5802 -4.5617 -4.5617 -4.5505 -4.5505 -4.5296 -4.5296 -4.5122 -4.5122 -4.4804 -4.4804 -0.1837 -0.1837 -0.1690 -0.1690 2.1065 2.1065 2.8651 2.8651 3.5558 3.5558 3.8240 3.8240 4.2624 4.2624 4.4837 4.4837 7.5199 7.5199 7.9120 7.9120 8.8913 8.8913 8.9862 8.9862 k = 0.0000 0.0000 0.4134 ( 5325 PWs) bands (ev): -6.9800 -6.9800 -6.9417 -6.9417 -6.7276 -6.7276 -6.7260 -6.7260 -6.7131 -6.7131 -6.4847 -6.4847 -4.5809 -4.5809 -4.5617 -4.5617 -4.5503 -4.5503 -4.5286 -4.5286 -4.5121 -4.5121 -4.4765 -4.4765 -0.1545 -0.1545 -0.1333 -0.1333 2.0707 2.0707 2.8827 2.8827 3.5131 3.5131 3.8195 3.8195 4.2055 4.2055 4.4380 4.4380 7.5828 7.5828 7.9942 7.9942 8.9523 8.9523 9.0628 9.0628 k = 0.0000 0.0000 0.3916 ( 5345 PWs) bands (ev): -6.9897 -6.9897 -6.9456 -6.9456 -6.7285 -6.7285 -6.7261 -6.7261 -6.7159 -6.7159 -6.4746 -6.4746 -4.5815 -4.5815 -4.5618 -4.5618 -4.5500 -4.5500 -4.5276 -4.5276 -4.5120 -4.5120 -4.4727 -4.4727 -0.1240 -0.1240 -0.0941 -0.0941 2.0364 2.0364 2.8955 2.8955 3.4662 3.4662 3.8131 3.8131 4.1531 4.1531 4.3911 4.3911 7.6502 7.6502 8.0768 8.0768 9.0153 9.0153 9.1454 9.1454 k = 0.0000 0.0000 0.3698 ( 5333 PWs) bands (ev): -6.9998 -6.9998 -6.9495 -6.9495 -6.7296 -6.7296 -6.7262 -6.7262 -6.7177 -6.7177 -6.4651 -6.4651 -4.5820 -4.5820 -4.5621 -4.5621 -4.5496 -4.5496 -4.5266 -4.5266 -4.5118 -4.5118 -4.4688 -4.4688 -0.0923 -0.0923 -0.0515 -0.0515 2.0038 2.0038 2.9030 2.9030 3.4151 3.4151 3.8040 3.8040 4.1074 4.1074 4.3439 4.3439 7.7217 7.7217 8.1590 8.1590 9.0785 9.0785 9.2337 9.2337 k = 0.0000 0.0000 0.3481 ( 5341 PWs) bands (ev): -7.0101 -7.0101 -6.9534 -6.9534 -6.7309 -6.7309 -6.7262 -6.7262 -6.7189 -6.7189 -6.4561 -6.4561 -4.5825 -4.5825 -4.5623 -4.5623 -4.5491 -4.5491 -4.5256 -4.5256 -4.5116 -4.5116 -4.4649 -4.4649 -0.0598 -0.0598 -0.0059 -0.0059 1.9730 1.9730 2.9047 2.9047 3.3601 3.3601 3.7912 3.7912 4.0702 4.0702 4.2970 4.2970 7.7966 7.7966 8.2402 8.2402 9.1404 9.1404 9.3269 9.3269 k = 0.0000 0.0000 0.3263 ( 5349 PWs) bands (ev): -7.0204 -7.0204 -6.9573 -6.9573 -6.7322 -6.7322 -6.7263 -6.7263 -6.7196 -6.7196 -6.4477 -6.4477 -4.5830 -4.5830 -4.5626 -4.5626 -4.5487 -4.5487 -4.5245 -4.5245 -4.5114 -4.5114 -4.4610 -4.4610 -0.0267 -0.0267 0.0426 0.0426 1.9441 1.9441 2.8998 2.8998 3.3024 3.3024 3.7743 3.7743 4.0423 4.0423 4.2511 4.2511 7.8742 7.8742 8.3196 8.3196 9.1989 9.1989 9.4244 9.4244 k = 0.0000 0.0000 0.3046 ( 5351 PWs) bands (ev): -7.0307 -7.0307 -6.9611 -6.9611 -6.7333 -6.7333 -6.7263 -6.7263 -6.7200 -6.7200 -6.4398 -6.4398 -4.5834 -4.5834 -4.5629 -4.5629 -4.5482 -4.5482 -4.5235 -4.5235 -4.5112 -4.5112 -4.4573 -4.4573 0.0067 0.0067 0.0937 0.0937 1.9171 1.9171 2.8873 2.8873 3.2435 3.2435 3.7538 3.7538 4.0230 4.0230 4.2072 4.2072 7.9540 7.9540 8.3963 8.3963 9.2520 9.2520 9.5248 9.5248 k = 0.0000 0.0000 0.2828 ( 5347 PWs) bands (ev): -7.0408 -7.0408 -6.9647 -6.9647 -6.7343 -6.7343 -6.7263 -6.7263 -6.7202 -6.7202 -6.4325 -6.4325 -4.5838 -4.5838 -4.5631 -4.5631 -4.5478 -4.5478 -4.5225 -4.5225 -4.5110 -4.5110 -4.4536 -4.4536 0.0400 0.0400 0.1472 0.1472 1.8920 1.8920 2.8661 2.8661 3.1859 3.1859 3.7308 3.7308 4.0102 4.0102 4.1663 4.1663 8.0353 8.0353 8.4696 8.4696 9.2980 9.2980 9.6264 9.6264 k = 0.0000 0.0000 0.2611 ( 5351 PWs) bands (ev): -7.0505 -7.0505 -6.9683 -6.9683 -6.7351 -6.7351 -6.7262 -6.7262 -6.7203 -6.7203 -6.4258 -6.4258 -4.5841 -4.5841 -4.5633 -4.5633 -4.5475 -4.5475 -4.5214 -4.5214 -4.5109 -4.5109 -4.4501 -4.4501 0.0730 0.0730 0.2027 0.2027 1.8689 1.8689 2.8348 2.8348 3.1324 3.1324 3.7069 3.7069 4.0006 4.0006 4.1304 4.1304 8.1176 8.1176 8.5385 8.5385 9.3362 9.3362 9.7260 9.7260 k = 0.0000 0.0000 0.2393 ( 5351 PWs) bands (ev): -7.0598 -7.0598 -6.9716 -6.9716 -6.7358 -6.7358 -6.7262 -6.7262 -6.7204 -6.7204 -6.4196 -6.4196 -4.5844 -4.5844 -4.5634 -4.5634 -4.5472 -4.5472 -4.5204 -4.5204 -4.5107 -4.5107 -4.4468 -4.4468 0.1051 0.1051 0.2598 0.2598 1.8477 1.8477 2.7926 2.7926 3.0852 3.0852 3.6833 3.6833 3.9900 3.9900 4.1021 4.1021 8.2000 8.2000 8.6022 8.6022 9.3671 9.3671 9.8192 9.8192 k = 0.0000 0.0000 0.2176 ( 5351 PWs) bands (ev): -7.0686 -7.0686 -6.9748 -6.9748 -6.7363 -6.7363 -6.7262 -6.7262 -6.7204 -6.7204 -6.4140 -6.4140 -4.5847 -4.5847 -4.5635 -4.5635 -4.5469 -4.5469 -4.5194 -4.5194 -4.5105 -4.5105 -4.4436 -4.4436 0.1362 0.1362 0.3179 0.3179 1.8283 1.8283 2.7405 2.7405 3.0452 3.0452 3.6608 3.6608 3.9744 3.9744 4.0843 4.0843 8.2820 8.2820 8.6599 8.6599 9.3924 9.3924 9.9017 9.9017 k = 0.0000 0.0000 0.1958 ( 5355 PWs) bands (ev): -7.0767 -7.0767 -6.9777 -6.9777 -6.7367 -6.7367 -6.7262 -6.7262 -6.7204 -6.7204 -6.4089 -6.4089 -4.5850 -4.5850 -4.5636 -4.5636 -4.5467 -4.5467 -4.5184 -4.5184 -4.5104 -4.5104 -4.4407 -4.4407 0.1657 0.1657 0.3765 0.3765 1.8108 1.8108 2.6809 2.6809 3.0118 3.0118 3.6399 3.6399 3.9532 3.9532 4.0769 4.0769 8.3625 8.3625 8.7107 8.7107 9.4143 9.4143 9.9716 9.9716 k = 0.0000 0.0000 0.1740 ( 5361 PWs) bands (ev): -7.0842 -7.0842 -6.9804 -6.9804 -6.7370 -6.7370 -6.7261 -6.7261 -6.7204 -6.7204 -6.4044 -6.4044 -4.5852 -4.5852 -4.5637 -4.5637 -4.5465 -4.5465 -4.5174 -4.5174 -4.5104 -4.5104 -4.4380 -4.4380 0.1933 0.1933 0.4348 0.4348 1.7948 1.7948 2.6175 2.6175 2.9835 2.9835 3.6210 3.6210 3.9290 3.9290 4.0765 4.0765 8.4405 8.4405 8.7546 8.7546 9.4345 9.4345 10.0283 10.0283 k = 0.0000 0.0000 0.1523 ( 5361 PWs) bands (ev): -7.0910 -7.0910 -6.9828 -6.9828 -6.7372 -6.7372 -6.7261 -6.7261 -6.7203 -6.7203 -6.4005 -6.4005 -4.5854 -4.5854 -4.5637 -4.5637 -4.5464 -4.5464 -4.5165 -4.5165 -4.5104 -4.5104 -4.4356 -4.4356 0.2186 0.2186 0.4918 0.4918 1.7803 1.7803 2.5533 2.5533 2.9590 2.9590 3.6041 3.6041 3.9047 3.9047 4.0798 4.0798 8.5146 8.5146 8.7916 8.7916 9.4541 9.4541 10.0681 10.0681 k = 0.0000 0.0000 0.1305 ( 5361 PWs) bands (ev): -7.0969 -7.0969 -6.9850 -6.9850 -6.7373 -6.7373 -6.7261 -6.7261 -6.7203 -6.7203 -6.3970 -6.3970 -4.5856 -4.5856 -4.5637 -4.5637 -4.5463 -4.5463 -4.5157 -4.5157 -4.5104 -4.5104 -4.4335 -4.4335 0.2414 0.2414 0.5465 0.5465 1.7672 1.7672 2.4912 2.4912 2.9378 2.9378 3.5895 3.5895 3.8822 3.8822 4.0847 4.0847 8.5833 8.5833 8.8224 8.8224 9.4734 9.4734 10.0864 10.0864 k = 0.0000 0.0000 0.1088 ( 5361 PWs) bands (ev): -7.1021 -7.1021 -6.9868 -6.9868 -6.7374 -6.7374 -6.7261 -6.7261 -6.7203 -6.7203 -6.3942 -6.3942 -4.5857 -4.5857 -4.5637 -4.5637 -4.5462 -4.5462 -4.5149 -4.5149 -4.5105 -4.5105 -4.4317 -4.4317 0.2613 0.2613 0.5974 0.5974 1.7552 1.7552 2.4339 2.4339 2.9195 2.9195 3.5770 3.5770 3.8624 3.8624 4.0901 4.0901 8.6445 8.6445 8.8483 8.8483 9.4920 9.4920 10.0844 10.0844 k = 0.0000 0.0000 0.0870 ( 5363 PWs) bands (ev): -7.1063 -7.1063 -6.9883 -6.9883 -6.7375 -6.7375 -6.7260 -6.7260 -6.7202 -6.7202 -6.3918 -6.3918 -4.5858 -4.5858 -4.5637 -4.5637 -4.5461 -4.5461 -4.5141 -4.5141 -4.5106 -4.5106 -4.4302 -4.4302 0.2779 0.2779 0.6430 0.6430 1.7446 1.7446 2.3834 2.3834 2.9042 2.9042 3.5668 3.5668 3.8457 3.8457 4.0952 4.0952 8.6958 8.6958 8.8707 8.8707 9.5088 9.5088 10.0705 10.0705 k = 0.0000 0.0000 0.0653 ( 5363 PWs) bands (ev): -7.1096 -7.1096 -6.9895 -6.9895 -6.7375 -6.7375 -6.7260 -6.7260 -6.7202 -6.7202 -6.3900 -6.3900 -4.5859 -4.5859 -4.5637 -4.5637 -4.5461 -4.5461 -4.5134 -4.5134 -4.5108 -4.5108 -4.4290 -4.4290 0.2911 0.2911 0.6813 0.6813 1.7355 1.7355 2.3419 2.3419 2.8919 2.8919 3.5589 3.5589 3.8325 3.8325 4.0995 4.0995 8.7353 8.7353 8.8907 8.8907 9.5229 9.5229 10.0531 10.0531 k = 0.0000 0.0000 0.0435 ( 5359 PWs) bands (ev): -7.1120 -7.1120 -6.9904 -6.9904 -6.7376 -6.7376 -6.7260 -6.7260 -6.7202 -6.7202 -6.3887 -6.3887 -4.5860 -4.5860 -4.5636 -4.5636 -4.5461 -4.5461 -4.5128 -4.5128 -4.5111 -4.5111 -4.4281 -4.4281 0.3007 0.3007 0.7106 0.7106 1.7283 1.7283 2.3110 2.3110 2.8829 2.8829 3.5532 3.5532 3.8230 3.8230 4.1027 4.1027 8.7621 8.7621 8.9078 8.9078 9.5334 9.5334 10.0375 10.0375 k = 0.0000 0.0000 0.0218 ( 5355 PWs) bands (ev): -7.1135 -7.1135 -6.9909 -6.9909 -6.7376 -6.7376 -6.7260 -6.7260 -6.7202 -6.7202 -6.3879 -6.3879 -4.5860 -4.5860 -4.5636 -4.5636 -4.5460 -4.5460 -4.5123 -4.5123 -4.5114 -4.5114 -4.4276 -4.4276 0.3065 0.3065 0.7289 0.7289 1.7236 1.7236 2.2919 2.2919 2.8774 2.8774 3.5498 3.5498 3.8172 3.8172 4.1048 4.1048 8.7772 8.7772 8.9198 8.9198 9.5399 9.5399 10.0270 10.0270 k = 0.0000 0.0000 0.0000 ( 5359 PWs) bands (ev): -7.1139 -7.1139 -6.9911 -6.9911 -6.7376 -6.7376 -6.7260 -6.7260 -6.7202 -6.7202 -6.3876 -6.3876 -4.5860 -4.5860 -4.5636 -4.5636 -4.5460 -4.5460 -4.5118 -4.5118 -4.5118 -4.5118 -4.4275 -4.4275 0.3084 0.3084 0.7352 0.7352 1.7220 1.7220 2.2854 2.2854 2.8756 2.8756 3.5486 3.5486 3.8153 3.8153 4.1055 4.1055 8.7820 8.7820 8.9242 8.9242 9.5420 9.5420 10.0233 10.0233 k = 0.0000 0.0000 0.0000 ( 5359 PWs) bands (ev): -7.1139 -7.1139 -6.9911 -6.9911 -6.7376 -6.7376 -6.7260 -6.7260 -6.7202 -6.7202 -6.3876 -6.3876 -4.5860 -4.5860 -4.5636 -4.5636 -4.5460 -4.5460 -4.5118 -4.5118 -4.5118 -4.5118 -4.4275 -4.4275 0.3084 0.3084 0.7352 0.7352 1.7220 1.7220 2.2854 2.2854 2.8756 2.8756 3.5486 3.5486 3.8153 3.8153 4.1055 4.1055 8.7820 8.7820 8.9242 8.9242 9.5420 9.5420 10.0233 10.0233 k =-0.0200 0.0071 0.0000 ( 5357 PWs) bands (ev): -7.1135 -7.1135 -6.9909 -6.9909 -6.7375 -6.7375 -6.7260 -6.7260 -6.7202 -6.7202 -6.3881 -6.3881 -4.5860 -4.5860 -4.5636 -4.5636 -4.5460 -4.5460 -4.5133 -4.5133 -4.5103 -4.5103 -4.4277 -4.4277 0.3021 0.3021 0.7362 0.7362 1.7289 1.7289 2.2872 2.2872 2.8754 2.8754 3.5474 3.5474 3.8158 3.8158 4.1071 4.1071 8.7745 8.7745 8.9270 8.9270 9.5392 9.5392 10.0254 10.0254 k =-0.0400 0.0142 0.0000 ( 5358 PWs) bands (ev): -7.1123 -7.1123 -6.9906 -6.9906 -6.7374 -6.7374 -6.7260 -6.7260 -6.7202 -6.7202 -6.3896 -6.3896 -4.5859 -4.5859 -4.5636 -4.5636 -4.5460 -4.5460 -4.5149 -4.5149 -4.5090 -4.5090 -4.4283 -4.4283 0.2840 0.2840 0.7386 0.7386 1.7494 1.7494 2.2925 2.2925 2.8748 2.8748 3.5439 3.5439 3.8173 3.8173 4.1118 4.1118 8.7540 8.7540 8.9338 8.9338 9.5310 9.5310 10.0307 10.0307 k =-0.0600 0.0213 0.0000 ( 5354 PWs) bands (ev): -7.1104 -7.1104 -6.9900 -6.9900 -6.7372 -6.7372 -6.7260 -6.7260 -6.7201 -6.7201 -6.3920 -6.3920 -4.5857 -4.5857 -4.5636 -4.5636 -4.5460 -4.5460 -4.5165 -4.5165 -4.5077 -4.5077 -4.4293 -4.4293 0.2558 0.2558 0.7414 0.7414 1.7823 1.7823 2.3017 2.3017 2.8737 2.8737 3.5383 3.5383 3.8197 3.8197 4.1197 4.1197 8.7236 8.7236 8.9410 8.9410 9.5185 9.5185 10.0371 10.0371 k =-0.0800 0.0284 0.0000 ( 5372 PWs) bands (ev): -7.1076 -7.1076 -6.9892 -6.9892 -6.7369 -6.7369 -6.7260 -6.7260 -6.7201 -6.7201 -6.3954 -6.3954 -4.5854 -4.5854 -4.5637 -4.5637 -4.5460 -4.5460 -4.5182 -4.5182 -4.5065 -4.5065 -4.4307 -4.4307 0.2200 0.2200 0.7436 0.7436 1.8259 1.8259 2.3152 2.3152 2.8722 2.8722 3.5309 3.5309 3.8226 3.8226 4.1305 4.1305 8.6855 8.6855 8.9461 8.9461 9.5027 9.5027 10.0418 10.0418 k =-0.1000 0.0355-0.0000 ( 5382 PWs) bands (ev): -7.1042 -7.1042 -6.9882 -6.9882 -6.7365 -6.7365 -6.7259 -6.7259 -6.7200 -6.7200 -6.3998 -6.3998 -4.5850 -4.5850 -4.5637 -4.5637 -4.5460 -4.5460 -4.5199 -4.5199 -4.5054 -4.5054 -4.4325 -4.4325 0.1787 0.1787 0.7443 0.7443 1.8777 1.8777 2.3341 2.3341 2.8702 2.8702 3.5220 3.5220 3.8259 3.8259 4.1442 4.1442 8.6408 8.6408 8.9479 8.9479 9.4842 9.4842 10.0417 10.0417 k =-0.1200 0.0426 0.0000 ( 5382 PWs) bands (ev): -7.1001 -7.1001 -6.9869 -6.9869 -6.7360 -6.7360 -6.7259 -6.7259 -6.7199 -6.7199 -6.4050 -6.4050 -4.5846 -4.5846 -4.5637 -4.5637 -4.5459 -4.5459 -4.5217 -4.5217 -4.5044 -4.5044 -4.4347 -4.4347 0.1339 0.1339 0.7431 0.7431 1.9349 1.9349 2.3594 2.3594 2.8676 2.8676 3.5118 3.5118 3.8294 3.8294 4.1605 4.1605 8.5898 8.5898 8.9458 8.9458 9.4632 9.4632 10.0347 10.0347 k =-0.1400 0.0497-0.0000 ( 5380 PWs) bands (ev): -7.0954 -7.0954 -6.9854 -6.9854 -6.7353 -6.7353 -6.7258 -6.7258 -6.7198 -6.7198 -6.4112 -6.4112 -4.5841 -4.5841 -4.5636 -4.5636 -4.5459 -4.5459 -4.5234 -4.5234 -4.5035 -4.5035 -4.4371 -4.4371 0.0871 0.0871 0.7398 0.7398 1.9941 1.9941 2.3930 2.3930 2.8645 2.8645 3.5007 3.5007 3.8330 3.8330 4.1791 4.1791 8.5324 8.5324 8.9396 8.9396 9.4392 9.4392 10.0206 10.0206 k =-0.1600 0.0567 0.0000 ( 5368 PWs) bands (ev): -7.0901 -7.0901 -6.9836 -6.9836 -6.7346 -6.7346 -6.7258 -6.7258 -6.7196 -6.7196 -6.4182 -6.4182 -4.5835 -4.5835 -4.5636 -4.5636 -4.5459 -4.5459 -4.5251 -4.5251 -4.5027 -4.5027 -4.4398 -4.4398 0.0397 0.0397 0.7348 0.7348 2.0517 2.0517 2.4366 2.4366 2.8612 2.8612 3.4889 3.4889 3.8367 3.8367 4.1995 4.1995 8.4683 8.4683 8.9299 8.9299 9.4111 9.4111 10.0013 10.0013 k =-0.1800 0.0638-0.0000 ( 5366 PWs) bands (ev): -7.0845 -7.0845 -6.9815 -6.9815 -6.7337 -6.7337 -6.7257 -6.7257 -6.7193 -6.7193 -6.4260 -6.4260 -4.5828 -4.5828 -4.5636 -4.5636 -4.5459 -4.5459 -4.5269 -4.5269 -4.5020 -4.5020 -4.4427 -4.4427 -0.0075 -0.0075 0.7281 0.7281 2.1047 2.1047 2.4916 2.4916 2.8580 2.8580 3.4764 3.4764 3.8406 3.8406 4.2214 4.2214 8.3969 8.3969 8.9172 8.9172 9.3781 9.3781 9.9806 9.9806 k =-0.2000 0.0709-0.0000 ( 5354 PWs) bands (ev): -7.0785 -7.0785 -6.9791 -6.9791 -6.7327 -6.7327 -6.7257 -6.7257 -6.7190 -6.7190 -6.4345 -6.4345 -4.5821 -4.5821 -4.5635 -4.5635 -4.5459 -4.5459 -4.5285 -4.5285 -4.5015 -4.5015 -4.4458 -4.4458 -0.0538 -0.0538 0.7201 0.7201 2.1514 2.1514 2.5572 2.5572 2.8560 2.8560 3.4635 3.4635 3.8447 3.8447 4.2442 4.2442 8.3181 8.3181 8.9022 8.9022 9.3398 9.3398 9.9624 9.9624 k =-0.2200 0.0780 0.0000 ( 5346 PWs) bands (ev): -7.0723 -7.0723 -6.9765 -6.9765 -6.7316 -6.7316 -6.7256 -6.7256 -6.7185 -6.7185 -6.4438 -6.4438 -4.5813 -4.5813 -4.5634 -4.5634 -4.5460 -4.5460 -4.5302 -4.5302 -4.5010 -4.5010 -4.4490 -4.4490 -0.0984 -0.0984 0.7110 0.7110 2.1918 2.1918 2.6291 2.6291 2.8583 2.8583 3.4503 3.4503 3.8491 3.8491 4.2675 4.2675 8.2317 8.2317 8.8856 8.8856 9.2968 9.2968 9.9497 9.9497 k =-0.2400 0.0851 0.0000 ( 5346 PWs) bands (ev): -7.0661 -7.0661 -6.9735 -6.9735 -6.7304 -6.7304 -6.7255 -6.7255 -6.7178 -6.7178 -6.4538 -6.4538 -4.5805 -4.5805 -4.5633 -4.5633 -4.5462 -4.5462 -4.5318 -4.5318 -4.5007 -4.5007 -4.4523 -4.4523 -0.1411 -0.1411 0.7013 0.7013 2.2271 2.2271 2.6966 2.6966 2.8732 2.8732 3.4371 3.4371 3.8538 3.8538 4.2906 4.2906 8.1380 8.1380 8.8681 8.8681 9.2509 9.2509 9.9438 9.9438 k =-0.2600 0.0922 0.0000 ( 5350 PWs) bands (ev): -7.0599 -7.0599 -6.9702 -6.9702 -6.7292 -6.7292 -6.7255 -6.7255 -6.7168 -6.7168 -6.4643 -6.4643 -4.5796 -4.5796 -4.5632 -4.5632 -4.5464 -4.5464 -4.5333 -4.5333 -4.5005 -4.5005 -4.4556 -4.4556 -0.1815 -0.1815 0.6912 0.6912 2.2587 2.2587 2.7405 2.7405 2.9173 2.9173 3.4242 3.4242 3.8587 3.8587 4.3130 4.3130 8.0379 8.0379 8.8504 8.8504 9.2040 9.2040 9.9449 9.9449 k =-0.2800 0.0993-0.0000 ( 5348 PWs) bands (ev): -7.0539 -7.0539 -6.9665 -6.9665 -6.7281 -6.7281 -6.7254 -6.7254 -6.7153 -6.7153 -6.4753 -6.4753 -4.5786 -4.5786 -4.5630 -4.5630 -4.5467 -4.5467 -4.5347 -4.5347 -4.5004 -4.5004 -4.4588 -4.4588 -0.2193 -0.2193 0.6809 0.6809 2.2878 2.2878 2.7550 2.7550 2.9936 2.9936 3.4124 3.4124 3.8640 3.8640 4.3340 4.3340 7.9327 7.9327 8.8330 8.8330 9.1582 9.1582 9.9521 9.9521 k =-0.3000 0.1064-0.0000 ( 5332 PWs) bands (ev): -7.0483 -7.0483 -6.9626 -6.9626 -6.7271 -6.7271 -6.7253 -6.7253 -6.7134 -6.7134 -6.4867 -6.4867 -4.5776 -4.5776 -4.5628 -4.5628 -4.5471 -4.5471 -4.5359 -4.5359 -4.5005 -4.5005 -4.4620 -4.4620 -0.2542 -0.2542 0.6707 0.6707 2.3153 2.3153 2.7540 2.7540 3.0849 3.0849 3.4030 3.4030 3.8696 3.8696 4.3529 4.3529 7.8241 7.8241 8.8163 8.8163 9.1149 9.1149 9.9645 9.9645 k =-0.3200 0.1135 0.0000 ( 5334 PWs) bands (ev): -7.0431 -7.0431 -6.9584 -6.9584 -6.7263 -6.7263 -6.7252 -6.7252 -6.7108 -6.7108 -6.4984 -6.4984 -4.5766 -4.5766 -4.5625 -4.5625 -4.5477 -4.5477 -4.5370 -4.5370 -4.5007 -4.5007 -4.4649 -4.4649 -0.2861 -0.2861 0.6609 0.6609 2.3416 2.3416 2.7465 2.7465 3.1772 3.1772 3.3997 3.3997 3.8753 3.8753 4.3692 4.3692 7.7144 7.7144 8.8007 8.8007 9.0752 9.0752 9.9807 9.9807 k =-0.3400 0.1206-0.0000 ( 5334 PWs) bands (ev): -7.0384 -7.0384 -6.9541 -6.9541 -6.7258 -6.7258 -6.7250 -6.7250 -6.7076 -6.7076 -6.5102 -6.5102 -4.5756 -4.5756 -4.5623 -4.5623 -4.5485 -4.5485 -4.5379 -4.5379 -4.5010 -4.5010 -4.4676 -4.4676 -0.3149 -0.3149 0.6515 0.6515 2.3671 2.3671 2.7356 2.7356 3.2540 3.2540 3.4142 3.4142 3.8814 3.8814 4.3820 4.3820 7.6058 7.6058 8.7864 8.7864 9.0396 9.0396 9.9997 9.9997 k =-0.3600 0.1277-0.0000 ( 5338 PWs) bands (ev): -7.0343 -7.0343 -6.9498 -6.9498 -6.7254 -6.7254 -6.7248 -6.7248 -6.7039 -6.7039 -6.5220 -6.5220 -4.5745 -4.5745 -4.5620 -4.5620 -4.5494 -4.5494 -4.5386 -4.5386 -4.5014 -4.5014 -4.4700 -4.4700 -0.3406 -0.3406 0.6429 0.6429 2.3918 2.3918 2.7228 2.7228 3.2930 3.2930 3.4659 3.4659 3.8880 3.8880 4.3907 4.3907 7.5011 7.5011 8.7737 8.7737 9.0084 9.0084 10.0205 10.0205 k =-0.3800 0.1348 0.0000 ( 5330 PWs) bands (ev): -7.0307 -7.0307 -6.9456 -6.9456 -6.7253 -6.7253 -6.7246 -6.7246 -6.6996 -6.6996 -6.5336 -6.5336 -4.5734 -4.5734 -4.5618 -4.5618 -4.5503 -4.5503 -4.5391 -4.5391 -4.5018 -4.5018 -4.4721 -4.4721 -0.3629 -0.3629 0.6351 0.6351 2.4159 2.4159 2.7087 2.7087 3.3012 3.3012 3.5453 3.5453 3.8952 3.8952 4.3948 4.3948 7.4027 7.4027 8.7626 8.7626 8.9815 8.9815 10.0421 10.0421 k =-0.4000 0.1419-0.0000 ( 5326 PWs) bands (ev): -7.0278 -7.0278 -6.9416 -6.9416 -6.7251 -6.7251 -6.7244 -6.7244 -6.6949 -6.6949 -6.5446 -6.5446 -4.5723 -4.5723 -4.5615 -4.5615 -4.5514 -4.5514 -4.5395 -4.5395 -4.5023 -4.5023 -4.4739 -4.4739 -0.3818 -0.3818 0.6283 0.6283 2.4390 2.4390 2.6939 2.6939 3.2988 3.2988 3.6291 3.6291 3.9041 3.9041 4.3938 4.3938 7.3134 7.3134 8.7532 8.7532 8.9590 8.9590 10.0635 10.0635 k =-0.4200 0.1490 0.0000 ( 5318 PWs) bands (ev): -7.0254 -7.0254 -6.9381 -6.9381 -6.7251 -6.7251 -6.7243 -6.7243 -6.6901 -6.6901 -6.5548 -6.5548 -4.5713 -4.5713 -4.5613 -4.5613 -4.5524 -4.5524 -4.5398 -4.5398 -4.5028 -4.5028 -4.4753 -4.4753 -0.3974 -0.3974 0.6226 0.6226 2.4609 2.4609 2.6787 2.6787 3.2938 3.2938 3.7055 3.7055 3.9160 3.9160 4.3878 4.3878 7.2357 7.2357 8.7455 8.7455 8.9408 8.9408 10.0839 10.0839 k =-0.4400 0.1560 0.0000 ( 5330 PWs) bands (ev): -7.0236 -7.0236 -6.9353 -6.9353 -6.7250 -6.7250 -6.7242 -6.7242 -6.6855 -6.6855 -6.5638 -6.5638 -4.5704 -4.5704 -4.5611 -4.5611 -4.5533 -4.5533 -4.5401 -4.5401 -4.5033 -4.5033 -4.4764 -4.4764 -0.4095 -0.4095 0.6181 0.6181 2.4808 2.4808 2.6640 2.6640 3.2887 3.2887 3.7662 3.7662 3.9335 3.9335 4.3776 4.3776 7.1723 7.1723 8.7396 8.7396 8.9267 8.9267 10.1027 10.1027 k =-0.4600 0.1631-0.0000 ( 5326 PWs) bands (ev): -7.0223 -7.0223 -6.9331 -6.9331 -6.7250 -6.7250 -6.7242 -6.7242 -6.6815 -6.6815 -6.5709 -6.5709 -4.5697 -4.5697 -4.5610 -4.5610 -4.5541 -4.5541 -4.5402 -4.5402 -4.5037 -4.5037 -4.4771 -4.4771 -0.4182 -0.4182 0.6148 0.6148 2.4977 2.4977 2.6509 2.6509 3.2845 3.2845 3.8059 3.8059 3.9567 3.9567 4.3654 4.3654 7.1252 7.1252 8.7354 8.7354 8.9167 8.9167 10.1196 10.1196 k =-0.4800 0.1702 0.0000 ( 5324 PWs) bands (ev): -7.0216 -7.0216 -6.9318 -6.9318 -6.7249 -6.7249 -6.7241 -6.7241 -6.6788 -6.6788 -6.5756 -6.5756 -4.5692 -4.5692 -4.5609 -4.5609 -4.5546 -4.5546 -4.5403 -4.5403 -4.5039 -4.5039 -4.4776 -4.4776 -0.4234 -0.4234 0.6128 0.6128 2.5096 2.5096 2.6413 2.6413 3.2819 3.2819 3.8259 3.8259 3.9785 3.9785 4.3550 4.3550 7.0961 7.0961 8.7329 8.7329 8.9108 8.9108 10.1349 10.1349 k =-0.5000 0.1773 0.0000 ( 5308 PWs) bands (ev): -7.0213 -7.0213 -6.9313 -6.9313 -6.7249 -6.7249 -6.7241 -6.7241 -6.6778 -6.6778 -6.5772 -6.5772 -4.5690 -4.5690 -4.5609 -4.5609 -4.5548 -4.5548 -4.5403 -4.5403 -4.5040 -4.5040 -4.4777 -4.4777 -0.4252 -0.4252 0.6121 0.6121 2.5140 2.5140 2.6376 2.6376 3.2810 3.2810 3.8317 3.8317 3.9875 3.9875 4.3508 4.3508 7.0863 7.0863 8.7321 8.7321 8.9088 8.9088 10.1472 10.1472 k =-0.5000 0.1773 0.0000 ( 5308 PWs) bands (ev): -7.0213 -7.0213 -6.9313 -6.9313 -6.7249 -6.7249 -6.7241 -6.7241 -6.6778 -6.6778 -6.5772 -6.5772 -4.5690 -4.5690 -4.5609 -4.5609 -4.5548 -4.5548 -4.5403 -4.5403 -4.5040 -4.5040 -4.4777 -4.4777 -0.4252 -0.4252 0.6121 0.6121 2.5140 2.5140 2.6376 2.6376 3.2810 3.2810 3.8317 3.8317 3.9875 3.9875 4.3508 4.3508 7.0863 7.0863 8.7321 8.7321 8.9088 8.9088 10.1472 10.1472 k =-0.4927 0.1979-0.0000 ( 5308 PWs) bands (ev): -7.0211 -7.0211 -6.9309 -6.9309 -6.7249 -6.7249 -6.7241 -6.7241 -6.6778 -6.6778 -6.5772 -6.5772 -4.5691 -4.5691 -4.5608 -4.5608 -4.5548 -4.5548 -4.5403 -4.5403 -4.5041 -4.5041 -4.4777 -4.4777 -0.4263 -0.4263 0.6117 0.6117 2.5145 2.5145 2.6386 2.6386 3.2806 3.2806 3.8304 3.8304 3.9892 3.9892 4.3513 4.3513 7.0854 7.0854 8.7339 8.7339 8.9037 8.9037 10.1069 10.1069 k =-0.4854 0.2184-0.0000 ( 5316 PWs) bands (ev): -7.0203 -7.0203 -6.9296 -6.9296 -6.7250 -6.7250 -6.7240 -6.7240 -6.6780 -6.6780 -6.5771 -6.5771 -4.5695 -4.5695 -4.5607 -4.5607 -4.5548 -4.5548 -4.5402 -4.5402 -4.5042 -4.5042 -4.4778 -4.4778 -0.4298 -0.4298 0.6102 0.6102 2.5161 2.5161 2.6413 2.6413 3.2795 3.2795 3.8267 3.8267 3.9941 3.9941 4.3528 4.3528 7.0825 7.0825 8.7390 8.7390 8.8887 8.8887 10.0605 10.0605 k =-0.4781 0.2389-0.0000 ( 5338 PWs) bands (ev): -7.0191 -7.0191 -6.9275 -6.9275 -6.7250 -6.7250 -6.7240 -6.7240 -6.6783 -6.6783 -6.5769 -6.5769 -4.5700 -4.5700 -4.5605 -4.5605 -4.5548 -4.5548 -4.5401 -4.5401 -4.5044 -4.5044 -4.4779 -4.4779 -0.4354 -0.4354 0.6079 0.6079 2.5188 2.5188 2.6459 2.6459 3.2778 3.2778 3.8210 3.8210 4.0016 4.0016 4.3553 4.3553 7.0776 7.0776 8.7463 8.7463 8.8649 8.8649 10.0106 10.0106 k =-0.4709 0.2595-0.0000 ( 5348 PWs) bands (ev): -7.0174 -7.0174 -6.9246 -6.9246 -6.7251 -6.7251 -6.7239 -6.7239 -6.6787 -6.6787 -6.5767 -6.5767 -4.5708 -4.5708 -4.5602 -4.5602 -4.5547 -4.5547 -4.5398 -4.5398 -4.5047 -4.5047 -4.4781 -4.4781 -0.4433 -0.4433 0.6046 0.6046 2.5226 2.5226 2.6523 2.6523 3.2758 3.2758 3.8140 3.8140 4.0110 4.0110 4.3589 4.3589 7.0708 7.0708 8.7521 8.7521 8.8360 8.8360 9.9570 9.9570 k =-0.4636 0.2800-0.0000 ( 5342 PWs) bands (ev): -7.0152 -7.0152 -6.9209 -6.9209 -6.7252 -6.7252 -6.7239 -6.7239 -6.6792 -6.6792 -6.5765 -6.5765 -4.5717 -4.5717 -4.5599 -4.5599 -4.5547 -4.5547 -4.5396 -4.5396 -4.5050 -4.5050 -4.4783 -4.4783 -0.4533 -0.4533 0.6004 0.6004 2.5273 2.5273 2.6605 2.6605 3.2738 3.2738 3.8061 3.8061 4.0217 4.0217 4.3635 4.3635 7.0619 7.0619 8.7437 8.7437 8.8147 8.8147 9.9002 9.9002 k =-0.4563 0.3006-0.0000 ( 5324 PWs) bands (ev): -7.0126 -7.0126 -6.9164 -6.9164 -6.7252 -6.7252 -6.7238 -6.7238 -6.6798 -6.6798 -6.5761 -6.5761 -4.5728 -4.5728 -4.5597 -4.5597 -4.5547 -4.5547 -4.5392 -4.5392 -4.5054 -4.5054 -4.4785 -4.4785 -0.4654 -0.4654 0.5952 0.5952 2.5330 2.5330 2.6704 2.6704 3.2720 3.2720 3.7977 3.7977 4.0330 4.0330 4.3690 4.3690 7.0510 7.0510 8.7069 8.7069 8.8147 8.8147 9.8414 9.8414 k =-0.4490 0.3211-0.0000 ( 5328 PWs) bands (ev): -7.0096 -7.0096 -6.9112 -6.9112 -6.7253 -6.7253 -6.7237 -6.7237 -6.6805 -6.6805 -6.5758 -6.5758 -4.5740 -4.5740 -4.5594 -4.5594 -4.5546 -4.5546 -4.5388 -4.5388 -4.5058 -4.5058 -4.4788 -4.4788 -0.4793 -0.4793 0.5892 0.5892 2.5395 2.5395 2.6818 2.6818 3.2709 3.2709 3.7892 3.7892 4.0447 4.0447 4.3755 4.3755 7.0379 7.0379 8.6528 8.6528 8.8242 8.8242 9.7821 9.7821 k =-0.4417 0.3417-0.0000 ( 5328 PWs) bands (ev): -7.0061 -7.0061 -6.9052 -6.9052 -6.7254 -6.7254 -6.7236 -6.7236 -6.6813 -6.6813 -6.5754 -6.5754 -4.5752 -4.5752 -4.5592 -4.5592 -4.5545 -4.5545 -4.5384 -4.5384 -4.5063 -4.5063 -4.4791 -4.4791 -0.4951 -0.4951 0.5822 0.5822 2.5468 2.5468 2.6949 2.6949 3.2707 3.2707 3.7808 3.7808 4.0563 4.0563 4.3827 4.3827 7.0228 7.0228 8.5901 8.5901 8.8330 8.8330 9.7225 9.7225 k =-0.4344 0.3622-0.0000 ( 5330 PWs) bands (ev): -7.0023 -7.0023 -6.8986 -6.8986 -6.7254 -6.7254 -6.7235 -6.7235 -6.6822 -6.6822 -6.5749 -6.5749 -4.5766 -4.5766 -4.5591 -4.5591 -4.5544 -4.5544 -4.5378 -4.5378 -4.5069 -4.5069 -4.4795 -4.4795 -0.5125 -0.5125 0.5744 0.5744 2.5548 2.5548 2.7094 2.7094 3.2718 3.2718 3.7729 3.7729 4.0676 4.0676 4.3904 4.3904 7.0056 7.0056 8.5219 8.5219 8.8360 8.8360 9.5934 9.5934 k =-0.4271 0.3827-0.0000 ( 5326 PWs) bands (ev): -6.9981 -6.9981 -6.8913 -6.8913 -6.7255 -6.7255 -6.7234 -6.7234 -6.6832 -6.6832 -6.5745 -6.5745 -4.5781 -4.5781 -4.5592 -4.5592 -4.5541 -4.5541 -4.5373 -4.5373 -4.5074 -4.5074 -4.4799 -4.4799 -0.5313 -0.5313 0.5657 0.5657 2.5635 2.5635 2.7253 2.7253 3.2743 3.2743 3.7656 3.7656 4.0785 4.0785 4.3986 4.3986 6.9863 6.9863 8.4502 8.4502 8.8287 8.8287 9.4545 9.4545 k =-0.4199 0.4033-0.0000 ( 5326 PWs) bands (ev): -6.9936 -6.9936 -6.8835 -6.8835 -6.7255 -6.7255 -6.7234 -6.7234 -6.6842 -6.6842 -6.5740 -6.5740 -4.5796 -4.5796 -4.5593 -4.5593 -4.5538 -4.5538 -4.5366 -4.5366 -4.5080 -4.5080 -4.4804 -4.4804 -0.5514 -0.5514 0.5562 0.5562 2.5726 2.5726 2.7425 2.7425 3.2786 3.2786 3.7591 3.7591 4.0889 4.0889 4.4068 4.4068 6.9649 6.9649 8.3762 8.3762 8.8073 8.8073 9.3160 9.3160 k =-0.4126 0.4238-0.0000 ( 5326 PWs) bands (ev): -6.9889 -6.9889 -6.8752 -6.8752 -6.7255 -6.7255 -6.7233 -6.7233 -6.6853 -6.6853 -6.5735 -6.5735 -4.5811 -4.5811 -4.5596 -4.5596 -4.5534 -4.5534 -4.5360 -4.5360 -4.5086 -4.5086 -4.4810 -4.4810 -0.5726 -0.5726 0.5460 0.5460 2.5821 2.5821 2.7609 2.7609 3.2847 3.2847 3.7536 3.7536 4.0987 4.0987 4.4149 4.4149 6.9415 6.9415 8.3014 8.3014 8.7697 8.7697 9.1791 9.1791 k =-0.4053 0.4444-0.0000 ( 5334 PWs) bands (ev): -6.9839 -6.9839 -6.8664 -6.8664 -6.7255 -6.7255 -6.7232 -6.7232 -6.6865 -6.6865 -6.5730 -6.5730 -4.5827 -4.5827 -4.5600 -4.5600 -4.5530 -4.5530 -4.5353 -4.5353 -4.5091 -4.5091 -4.4816 -4.4816 -0.5946 -0.5946 0.5351 0.5351 2.5918 2.5918 2.7804 2.7804 3.2928 3.2928 3.7494 3.7494 4.1080 4.1080 4.4226 4.4226 6.9160 6.9160 8.2268 8.2268 8.7158 8.7158 9.0449 9.0449 k =-0.3980 0.4649-0.0000 ( 5322 PWs) bands (ev): -6.9786 -6.9786 -6.8573 -6.8573 -6.7254 -6.7254 -6.7231 -6.7231 -6.6878 -6.6878 -6.5725 -6.5725 -4.5843 -4.5843 -4.5604 -4.5604 -4.5526 -4.5526 -4.5345 -4.5345 -4.5097 -4.5097 -4.4823 -4.4823 -0.6172 -0.6172 0.5235 0.5235 2.6017 2.6017 2.8009 2.8009 3.3027 3.3027 3.7465 3.7465 4.1166 4.1166 4.4297 4.4297 6.8885 6.8885 8.1536 8.1536 8.6476 8.6476 8.9143 8.9143 k =-0.3907 0.4855-0.0000 ( 5336 PWs) bands (ev): -6.9733 -6.9733 -6.8479 -6.8479 -6.7253 -6.7253 -6.7231 -6.7231 -6.6890 -6.6890 -6.5721 -6.5721 -4.5860 -4.5860 -4.5610 -4.5610 -4.5521 -4.5521 -4.5337 -4.5337 -4.5102 -4.5102 -4.4830 -4.4830 -0.6402 -0.6402 0.5114 0.5114 2.6115 2.6115 2.8223 2.8223 3.3144 3.3144 3.7451 3.7451 4.1245 4.1245 4.4361 4.4361 6.8591 6.8591 8.0825 8.0825 8.5682 8.5682 8.7880 8.7880 k =-0.3834 0.5060-0.0000 ( 5336 PWs) bands (ev): -6.9678 -6.9678 -6.8384 -6.8384 -6.7252 -6.7252 -6.7230 -6.7230 -6.6903 -6.6903 -6.5716 -6.5716 -4.5876 -4.5876 -4.5617 -4.5617 -4.5516 -4.5516 -4.5329 -4.5329 -4.5107 -4.5107 -4.4838 -4.4838 -0.6634 -0.6634 0.4989 0.4989 2.6212 2.6212 2.8445 2.8445 3.3277 3.3277 3.7454 3.7454 4.1317 4.1317 4.4416 4.4416 6.8277 6.8277 8.0145 8.0145 8.4808 8.4808 8.6665 8.6665 k =-0.3762 0.5265-0.0000 ( 5343 PWs) bands (ev): -6.9622 -6.9622 -6.8289 -6.8289 -6.7249 -6.7249 -6.7230 -6.7230 -6.6915 -6.6915 -6.5712 -6.5712 -4.5892 -4.5892 -4.5624 -4.5624 -4.5511 -4.5511 -4.5320 -4.5320 -4.5112 -4.5112 -4.4846 -4.4846 -0.6863 -0.6863 0.4860 0.4860 2.6305 2.6305 2.8674 2.8674 3.3425 3.3425 3.7474 3.7474 4.1381 4.1381 4.4461 4.4461 6.7944 6.7944 7.9501 7.9501 8.3886 8.3886 8.5502 8.5502 k =-0.3689 0.5471-0.0000 ( 5351 PWs) bands (ev): -6.9566 -6.9566 -6.8195 -6.8195 -6.7245 -6.7245 -6.7229 -6.7229 -6.6927 -6.6927 -6.5707 -6.5707 -4.5908 -4.5908 -4.5632 -4.5632 -4.5506 -4.5506 -4.5312 -4.5312 -4.5115 -4.5115 -4.4855 -4.4855 -0.7090 -0.7090 0.4728 0.4728 2.6392 2.6392 2.8909 2.8909 3.3584 3.3584 3.7512 3.7512 4.1436 4.1436 4.4499 4.4499 6.7593 6.7593 7.8892 7.8892 8.2944 8.2944 8.4394 8.4394 k =-0.3616 0.5676-0.0000 ( 5343 PWs) bands (ev): -6.9510 -6.9510 -6.8104 -6.8104 -6.7240 -6.7240 -6.7228 -6.7228 -6.6937 -6.6937 -6.5703 -6.5703 -4.5923 -4.5923 -4.5640 -4.5640 -4.5502 -4.5502 -4.5303 -4.5303 -4.5119 -4.5119 -4.4865 -4.4865 -0.7309 -0.7309 0.4595 0.4595 2.6471 2.6471 2.9149 2.9149 3.3750 3.3750 3.7566 3.7566 4.1482 4.1482 4.4529 4.4529 6.7227 6.7227 7.8316 7.8316 8.2010 8.2010 8.3347 8.3347 k =-0.3543 0.5882-0.0000 ( 5347 PWs) bands (ev): -6.9454 -6.9454 -6.8019 -6.8019 -6.7234 -6.7234 -6.7227 -6.7227 -6.6944 -6.6944 -6.5699 -6.5699 -4.5937 -4.5937 -4.5649 -4.5649 -4.5497 -4.5497 -4.5294 -4.5294 -4.5121 -4.5121 -4.4874 -4.4874 -0.7520 -0.7520 0.4463 0.4463 2.6540 2.6540 2.9394 2.9394 3.3920 3.3920 3.7638 3.7638 4.1516 4.1516 4.4554 4.4554 6.6847 6.6847 7.7762 7.7762 8.1106 8.1106 8.2370 8.2370 k =-0.3470 0.6087-0.0000 ( 5349 PWs) bands (ev): -6.9399 -6.9399 -6.7942 -6.7942 -6.7230 -6.7230 -6.7222 -6.7222 -6.6948 -6.6948 -6.5694 -6.5694 -4.5951 -4.5951 -4.5658 -4.5658 -4.5494 -4.5494 -4.5285 -4.5285 -4.5123 -4.5123 -4.4884 -4.4884 -0.7719 -0.7719 0.4331 0.4331 2.6596 2.6596 2.9642 2.9642 3.4088 3.4088 3.7726 3.7726 4.1538 4.1538 4.4577 4.4577 6.6459 6.6459 7.7210 7.7210 8.0250 8.0250 8.1483 8.1483 k =-0.3397 0.6293-0.0000 ( 5347 PWs) bands (ev): -6.9346 -6.9346 -6.7876 -6.7876 -6.7229 -6.7229 -6.7214 -6.7214 -6.6945 -6.6945 -6.5688 -6.5688 -4.5964 -4.5964 -4.5667 -4.5667 -4.5490 -4.5490 -4.5276 -4.5276 -4.5124 -4.5124 -4.4895 -4.4895 -0.7905 -0.7905 0.4203 0.4203 2.6638 2.6638 2.9891 2.9891 3.4249 3.4249 3.7828 3.7828 4.1547 4.1547 4.4600 4.4600 6.6067 6.6067 7.6638 7.6638 7.9443 7.9443 8.0722 8.0722 k =-0.3324 0.6498-0.0000 ( 5349 PWs) bands (ev): -6.9295 -6.9295 -6.7821 -6.7821 -6.7228 -6.7228 -6.7206 -6.7206 -6.6936 -6.6936 -6.5681 -6.5681 -4.5976 -4.5976 -4.5676 -4.5676 -4.5487 -4.5487 -4.5267 -4.5267 -4.5124 -4.5124 -4.4905 -4.4905 -0.8075 -0.8075 0.4079 0.4079 2.6662 2.6662 3.0142 3.0142 3.4398 3.4398 3.7942 3.7942 4.1543 4.1543 4.4627 4.4627 6.5678 6.5678 7.6027 7.6027 7.8675 7.8675 8.0125 8.0125 k =-0.3252 0.6703-0.0000 ( 5339 PWs) bands (ev): -6.9245 -6.9245 -6.7781 -6.7781 -6.7228 -6.7228 -6.7199 -6.7199 -6.6918 -6.6918 -6.5671 -6.5671 -4.5986 -4.5986 -4.5686 -4.5686 -4.5484 -4.5484 -4.5259 -4.5259 -4.5123 -4.5123 -4.4915 -4.4915 -0.8226 -0.8226 0.3960 0.3960 2.6667 2.6667 3.0392 3.0392 3.4529 3.4529 3.8067 3.8067 4.1526 4.1526 4.4661 4.4661 6.5298 6.5298 7.5374 7.5374 7.7939 7.7939 7.9714 7.9714 k =-0.3179 0.6909-0.0000 ( 5337 PWs) bands (ev): -6.9199 -6.9199 -6.7753 -6.7753 -6.7228 -6.7228 -6.7196 -6.7196 -6.6892 -6.6892 -6.5658 -6.5658 -4.5995 -4.5995 -4.5695 -4.5695 -4.5482 -4.5482 -4.5251 -4.5251 -4.5121 -4.5121 -4.4926 -4.4926 -0.8358 -0.8358 0.3848 0.3848 2.6649 2.6649 3.0641 3.0641 3.4635 3.4635 3.8197 3.8197 4.1497 4.1497 4.4705 4.4705 6.4934 6.4934 7.4688 7.4688 7.7241 7.7241 7.9477 7.9477 k =-0.3106 0.7114-0.0000 ( 5341 PWs) bands (ev): -6.9155 -6.9155 -6.7739 -6.7739 -6.7227 -6.7227 -6.7196 -6.7196 -6.6862 -6.6862 -6.5639 -6.5639 -4.6003 -4.6003 -4.5705 -4.5705 -4.5480 -4.5480 -4.5243 -4.5243 -4.5118 -4.5118 -4.4936 -4.4936 -0.8467 -0.8467 0.3745 0.3745 2.6607 2.6607 3.0885 3.0885 3.4712 3.4712 3.8330 3.8330 4.1457 4.1457 4.4762 4.4762 6.4594 6.4594 7.3988 7.3988 7.6597 7.6597 7.9387 7.9387 k =-0.3033 0.7320-0.0000 ( 5355 PWs) bands (ev): -6.9114 -6.9114 -6.7736 -6.7736 -6.7227 -6.7227 -6.7199 -6.7199 -6.6830 -6.6830 -6.5615 -6.5615 -4.6009 -4.6009 -4.5714 -4.5714 -4.5478 -4.5478 -4.5236 -4.5236 -4.5113 -4.5113 -4.4947 -4.4947 -0.8552 -0.8552 0.3651 0.3651 2.6539 2.6539 3.1123 3.1123 3.4754 3.4754 3.8461 3.8461 4.1409 4.1409 4.4834 4.4834 6.4282 6.4282 7.3292 7.3292 7.6022 7.6022 7.9415 7.9415 k =-0.2960 0.7525-0.0000 ( 5359 PWs) bands (ev): -6.9078 -6.9078 -6.7742 -6.7742 -6.7227 -6.7227 -6.7204 -6.7204 -6.6802 -6.6802 -6.5583 -6.5583 -4.6014 -4.6014 -4.5724 -4.5724 -4.5477 -4.5477 -4.5230 -4.5230 -4.5107 -4.5107 -4.4957 -4.4957 -0.8613 -0.8613 0.3568 0.3568 2.6444 2.6444 3.1354 3.1354 3.4757 3.4757 3.8583 3.8583 4.1356 4.1356 4.4922 4.4922 6.4004 6.4004 7.2616 7.2616 7.5527 7.5527 7.9538 7.9538 k =-0.2887 0.7731-0.0000 ( 5363 PWs) bands (ev): -6.9045 -6.9045 -6.7757 -6.7757 -6.7227 -6.7227 -6.7210 -6.7210 -6.6781 -6.6781 -6.5543 -6.5543 -4.6016 -4.6016 -4.5733 -4.5733 -4.5475 -4.5475 -4.5226 -4.5226 -4.5099 -4.5099 -4.4967 -4.4967 -0.8647 -0.8647 0.3497 0.3497 2.6321 2.6321 3.1574 3.1574 3.4718 3.4718 3.8690 3.8690 4.1304 4.1304 4.5026 4.5026 6.3764 6.3764 7.1975 7.1975 7.5119 7.5119 7.9739 7.9739 k =-0.2814 0.7936-0.0000 ( 5363 PWs) bands (ev): -6.9017 -6.9017 -6.7779 -6.7779 -6.7228 -6.7228 -6.7217 -6.7217 -6.6768 -6.6768 -6.5494 -6.5494 -4.6017 -4.6017 -4.5742 -4.5742 -4.5474 -4.5474 -4.5222 -4.5222 -4.5089 -4.5089 -4.4977 -4.4977 -0.8653 -0.8653 0.3439 0.3439 2.6169 2.6169 3.1780 3.1780 3.4637 3.4637 3.8774 3.8774 4.1258 4.1258 4.5144 4.5144 6.3564 6.3564 7.1382 7.1382 7.4802 7.4802 8.0003 8.0003 k =-0.2814 0.7936-0.0000 ( 5363 PWs) bands (ev): -6.9017 -6.9017 -6.7779 -6.7779 -6.7228 -6.7228 -6.7217 -6.7217 -6.6768 -6.6768 -6.5494 -6.5494 -4.6017 -4.6017 -4.5742 -4.5742 -4.5474 -4.5474 -4.5222 -4.5222 -4.5089 -4.5089 -4.4977 -4.4977 -0.8653 -0.8653 0.3439 0.3439 2.6169 2.6169 3.1780 3.1780 3.4637 3.4637 3.8774 3.8774 4.1258 4.1258 4.5144 4.5144 6.3564 6.3564 7.1382 7.1382 7.4802 7.4802 8.0003 8.0003 k =-0.2814 0.7936 0.0218 ( 5356 PWs) bands (ev): -6.9021 -6.9021 -6.7793 -6.7793 -6.7235 -6.7235 -6.7211 -6.7211 -6.6752 -6.6752 -6.5488 -6.5488 -4.6015 -4.6015 -4.5741 -4.5741 -4.5473 -4.5473 -4.5221 -4.5221 -4.5091 -4.5091 -4.4974 -4.4974 -0.8640 -0.8640 0.3444 0.3444 2.6146 2.6146 3.1726 3.1726 3.4646 3.4646 3.8704 3.8704 4.1218 4.1218 4.5147 4.5147 6.3627 6.3627 7.1412 7.1412 7.4866 7.4866 8.0049 8.0049 k =-0.2814 0.7936 0.0435 ( 5358 PWs) bands (ev): -6.9035 -6.9035 -6.7834 -6.7834 -6.7247 -6.7247 -6.7205 -6.7205 -6.6707 -6.6707 -6.5470 -6.5470 -4.6010 -4.6010 -4.5739 -4.5739 -4.5471 -4.5471 -4.5217 -4.5217 -4.5095 -4.5095 -4.4968 -4.4968 -0.8600 -0.8600 0.3461 0.3461 2.6077 2.6077 3.1570 3.1570 3.4668 3.4668 3.8497 3.8497 4.1104 4.1104 4.5153 4.5153 6.3811 6.3811 7.1505 7.1505 7.5057 7.5057 8.0187 8.0187 k =-0.2814 0.7936 0.0653 ( 5356 PWs) bands (ev): -6.9057 -6.9057 -6.7898 -6.7898 -6.7259 -6.7259 -6.7201 -6.7201 -6.6638 -6.6638 -6.5440 -6.5440 -4.6002 -4.6002 -4.5735 -4.5735 -4.5466 -4.5466 -4.5211 -4.5211 -4.5100 -4.5100 -4.4958 -4.4958 -0.8535 -0.8535 0.3489 0.3489 2.5963 2.5963 3.1323 3.1323 3.4694 3.4694 3.8158 3.8158 4.0932 4.0932 4.5151 4.5151 6.4099 6.4099 7.1672 7.1672 7.5375 7.5375 8.0412 8.0412 k =-0.2814 0.7936 0.0870 ( 5352 PWs) bands (ev): -6.9087 -6.9087 -6.7976 -6.7976 -6.7269 -6.7269 -6.7199 -6.7199 -6.6555 -6.6555 -6.5400 -6.5400 -4.5991 -4.5991 -4.5730 -4.5730 -4.5460 -4.5460 -4.5203 -4.5203 -4.5105 -4.5105 -4.4945 -4.4945 -0.8443 -0.8443 0.3527 0.3527 2.5802 2.5802 3.1002 3.1002 3.4712 3.4712 3.7697 3.7697 4.0722 4.0722 4.5129 4.5129 6.4468 6.4468 7.1928 7.1928 7.5821 7.5821 8.0720 8.0720 k =-0.2814 0.7936 0.1088 ( 5346 PWs) bands (ev): -6.9124 -6.9124 -6.8065 -6.8065 -6.7278 -6.7278 -6.7198 -6.7198 -6.6460 -6.6460 -6.5351 -6.5351 -4.5977 -4.5977 -4.5724 -4.5724 -4.5453 -4.5453 -4.5194 -4.5194 -4.5109 -4.5109 -4.4931 -4.4931 -0.8325 -0.8325 0.3575 0.3575 2.5597 2.5597 3.0621 3.0621 3.4707 3.4707 3.7138 3.7138 4.0490 4.0490 4.5074 4.5074 6.4892 6.4892 7.2289 7.2289 7.6388 7.6388 8.1108 8.1108 k =-0.2814 0.7936 0.1305 ( 5348 PWs) bands (ev): -6.9167 -6.9167 -6.8162 -6.8162 -6.7285 -6.7285 -6.7199 -6.7199 -6.6359 -6.6359 -6.5294 -6.5294 -4.5961 -4.5961 -4.5716 -4.5716 -4.5445 -4.5445 -4.5184 -4.5184 -4.5109 -4.5109 -4.4916 -4.4916 -0.8181 -0.8181 0.3631 0.3631 2.5347 2.5347 3.0194 3.0194 3.4659 3.4659 3.6515 3.6515 4.0247 4.0247 4.4975 4.4975 6.5348 6.5348 7.2772 7.2772 7.7069 7.7069 8.1570 8.1570 k =-0.2814 0.7936 0.1523 ( 5352 PWs) bands (ev): -6.9215 -6.9215 -6.8262 -6.8262 -6.7292 -6.7292 -6.7199 -6.7199 -6.6254 -6.6254 -6.5231 -6.5231 -4.5942 -4.5942 -4.5708 -4.5708 -4.5437 -4.5437 -4.5174 -4.5174 -4.5104 -4.5104 -4.4899 -4.4899 -0.8012 -0.8012 0.3696 0.3696 2.5055 2.5055 2.9729 2.9729 3.4513 3.4513 3.5906 3.5906 4.0000 4.0000 4.4825 4.4825 6.5822 6.5822 7.3382 7.3382 7.7851 7.7851 8.2106 8.2106 k =-0.2814 0.7936 0.1740 ( 5354 PWs) bands (ev): -6.9268 -6.9268 -6.8365 -6.8365 -6.7298 -6.7298 -6.7200 -6.7200 -6.6146 -6.6146 -6.5164 -6.5164 -4.5923 -4.5923 -4.5698 -4.5698 -4.5430 -4.5430 -4.5167 -4.5167 -4.5091 -4.5091 -4.4881 -4.4881 -0.7817 -0.7817 0.3766 0.3766 2.4723 2.4723 2.9236 2.9236 3.4152 3.4152 3.5449 3.5449 3.9750 3.9750 4.4620 4.4620 6.6303 6.6303 7.4119 7.4119 7.8720 7.8720 8.2715 8.2715 k =-0.2814 0.7936 0.1958 ( 5350 PWs) bands (ev): -6.9323 -6.9323 -6.8469 -6.8469 -6.7304 -6.7304 -6.7201 -6.7201 -6.6036 -6.6036 -6.5093 -6.5093 -4.5903 -4.5903 -4.5687 -4.5687 -4.5423 -4.5423 -4.5160 -4.5160 -4.5072 -4.5072 -4.4862 -4.4862 -0.7597 -0.7597 0.3841 0.3841 2.4355 2.4355 2.8720 2.8720 3.3527 3.3527 3.5217 3.5217 3.9497 3.9497 4.4362 4.4362 6.6792 6.6792 7.4972 7.4972 7.9657 7.9657 8.3396 8.3396 k =-0.2814 0.7936 0.2176 ( 5347 PWs) bands (ev): -6.9380 -6.9380 -6.8573 -6.8573 -6.7308 -6.7308 -6.7203 -6.7203 -6.5927 -6.5927 -6.5019 -6.5019 -4.5882 -4.5882 -4.5676 -4.5676 -4.5418 -4.5418 -4.5154 -4.5154 -4.5047 -4.5047 -4.4843 -4.4843 -0.7352 -0.7352 0.3919 0.3919 2.3955 2.3955 2.8184 2.8184 3.2760 3.2760 3.5109 3.5109 3.9237 3.9237 4.4056 4.4056 6.7290 6.7290 7.5924 7.5924 8.0644 8.0644 8.4149 8.4149 k =-0.2814 0.7936 0.2393 ( 5346 PWs) bands (ev): -6.9439 -6.9439 -6.8676 -6.8676 -6.7311 -6.7311 -6.7204 -6.7204 -6.5818 -6.5818 -6.4945 -6.4945 -4.5862 -4.5862 -4.5663 -4.5663 -4.5414 -4.5414 -4.5146 -4.5146 -4.5016 -4.5016 -4.4822 -4.4822 -0.7082 -0.7082 0.3998 0.3998 2.3528 2.3528 2.7630 2.7630 3.1949 3.1949 3.5046 3.5046 3.8970 3.8970 4.3711 4.3711 6.7803 6.7803 7.6957 7.6957 8.1658 8.1658 8.4974 8.4974 k =-0.2814 0.7936 0.2611 ( 5346 PWs) bands (ev): -6.9498 -6.9498 -6.8777 -6.8777 -6.7314 -6.7314 -6.7206 -6.7206 -6.5711 -6.5711 -6.4871 -6.4871 -4.5843 -4.5843 -4.5650 -4.5650 -4.5411 -4.5411 -4.5137 -4.5137 -4.4982 -4.4982 -4.4799 -4.4799 -0.6788 -0.6788 0.4075 0.4075 2.3079 2.3079 2.7056 2.7056 3.1143 3.1143 3.4998 3.4998 3.8692 3.8692 4.3338 4.3338 6.8333 6.8333 7.8050 7.8050 8.2677 8.2677 8.5868 8.5868 k =-0.2814 0.7936 0.2828 ( 5337 PWs) bands (ev): -6.9556 -6.9556 -6.8876 -6.8876 -6.7316 -6.7316 -6.7207 -6.7207 -6.5605 -6.5605 -6.4797 -6.4797 -4.5826 -4.5826 -4.5636 -4.5636 -4.5409 -4.5409 -4.5127 -4.5127 -4.4945 -4.4945 -4.4776 -4.4776 -0.6470 -0.6470 0.4146 0.4146 2.2616 2.2616 2.6462 2.6462 3.0371 3.0371 3.4951 3.4951 3.8403 3.8403 4.2948 4.2948 6.8882 6.8882 7.9182 7.9182 8.3682 8.3682 8.6825 8.6825 k =-0.2814 0.7936 0.3046 ( 5337 PWs) bands (ev): -6.9613 -6.9613 -6.8972 -6.8972 -6.7317 -6.7317 -6.7209 -6.7209 -6.5502 -6.5502 -6.4725 -6.4725 -4.5809 -4.5809 -4.5623 -4.5623 -4.5407 -4.5407 -4.5116 -4.5116 -4.4906 -4.4906 -4.4751 -4.4751 -0.6129 -0.6129 0.4210 0.4210 2.2143 2.2143 2.5843 2.5843 2.9654 2.9654 3.4891 3.4891 3.8109 3.8109 4.2554 4.2554 6.9450 6.9450 8.0329 8.0329 8.4654 8.4654 8.7836 8.7836 k =-0.2814 0.7936 0.3263 ( 5335 PWs) bands (ev): -6.9668 -6.9668 -6.9066 -6.9066 -6.7318 -6.7318 -6.7211 -6.7211 -6.5402 -6.5402 -6.4656 -6.4656 -4.5795 -4.5795 -4.5611 -4.5611 -4.5405 -4.5405 -4.5105 -4.5105 -4.4864 -4.4864 -4.4724 -4.4724 -0.5766 -0.5766 0.4262 0.4262 2.1667 2.1667 2.5200 2.5200 2.9008 2.9008 3.4804 3.4804 3.7817 3.7817 4.2166 4.2166 7.0036 7.0036 8.1464 8.1464 8.5584 8.5584 8.8886 8.8886 k =-0.2814 0.7936 0.3481 ( 5329 PWs) bands (ev): -6.9720 -6.9720 -6.9155 -6.9155 -6.7318 -6.7318 -6.7213 -6.7213 -6.5306 -6.5306 -6.4589 -6.4589 -4.5782 -4.5782 -4.5600 -4.5600 -4.5401 -4.5401 -4.5093 -4.5093 -4.4821 -4.4821 -4.4697 -4.4697 -0.5381 -0.5381 0.4299 0.4299 2.1192 2.1192 2.4536 2.4536 2.8444 2.8444 3.4672 3.4672 3.7545 3.7545 4.1792 4.1792 7.0640 7.0640 8.2550 8.2550 8.6468 8.6468 8.9961 8.9961 k =-0.2814 0.7936 0.3698 ( 5323 PWs) bands (ev): -6.9770 -6.9770 -6.9241 -6.9241 -6.7318 -6.7318 -6.7215 -6.7215 -6.5213 -6.5213 -6.4526 -6.4526 -4.5770 -4.5770 -4.5592 -4.5592 -4.5395 -4.5395 -4.5082 -4.5082 -4.4778 -4.4778 -4.4668 -4.4668 -0.4975 -0.4975 0.4317 0.4317 2.0724 2.0724 2.3859 2.3859 2.7964 2.7964 3.4475 3.4475 3.7312 3.7312 4.1438 4.1438 7.1258 7.1258 8.3536 8.3536 8.7321 8.7321 9.1047 9.1047 k =-0.2814 0.7936 0.3916 ( 5322 PWs) bands (ev): -6.9817 -6.9817 -6.9323 -6.9323 -6.7317 -6.7317 -6.7217 -6.7217 -6.5125 -6.5125 -6.4466 -6.4466 -4.5760 -4.5760 -4.5587 -4.5587 -4.5386 -4.5386 -4.5072 -4.5072 -4.4735 -4.4735 -4.4638 -4.4638 -0.4550 -0.4550 0.4311 0.4311 2.0268 2.0268 2.3182 2.3182 2.7569 2.7569 3.4198 3.4198 3.7138 3.7138 4.1106 4.1106 7.1889 7.1889 8.4362 8.4362 8.8171 8.8171 9.2135 9.2135 k =-0.2814 0.7936 0.4134 ( 5330 PWs) bands (ev): -6.9860 -6.9860 -6.9401 -6.9401 -6.7316 -6.7316 -6.7219 -6.7219 -6.5042 -6.5042 -6.4411 -6.4411 -4.5750 -4.5750 -4.5586 -4.5586 -4.5376 -4.5376 -4.5063 -4.5063 -4.4693 -4.4693 -4.4608 -4.4608 -0.4107 -0.4107 0.4277 0.4277 1.9828 1.9828 2.2517 2.2517 2.7255 2.7255 3.3837 3.3837 3.7032 3.7032 4.0797 4.0797 7.2530 7.2530 8.4970 8.4970 8.9056 8.9056 9.3219 9.3219 k =-0.2814 0.7936 0.4351 ( 5324 PWs) bands (ev): -6.9899 -6.9899 -6.9473 -6.9473 -6.7315 -6.7315 -6.7221 -6.7221 -6.4964 -6.4964 -6.4361 -6.4361 -4.5741 -4.5741 -4.5587 -4.5587 -4.5363 -4.5363 -4.5055 -4.5055 -4.4652 -4.4652 -4.4577 -4.4577 -0.3647 -0.3647 0.4211 0.4211 1.9407 1.9407 2.1877 2.1877 2.7018 2.7018 3.3402 3.3402 3.6990 3.6990 4.0508 4.0508 7.3180 7.3180 8.5331 8.5331 8.9990 8.9990 9.4294 9.4294 k =-0.2814 0.7936 0.4569 ( 5324 PWs) bands (ev): -6.9934 -6.9934 -6.9540 -6.9540 -6.7313 -6.7313 -6.7224 -6.7224 -6.4891 -6.4891 -6.4315 -6.4315 -4.5732 -4.5732 -4.5590 -4.5590 -4.5350 -4.5350 -4.5048 -4.5048 -4.4613 -4.4613 -4.4548 -4.4548 -0.3172 -0.3172 0.4109 0.4109 1.9010 1.9010 2.1275 2.1275 2.6854 2.6854 3.2911 3.2911 3.7000 3.7000 4.0239 4.0239 7.3834 7.3834 8.5461 8.5461 9.0958 9.0958 9.5353 9.5353 k =-0.2814 0.7936 0.4786 ( 5340 PWs) bands (ev): -6.9965 -6.9965 -6.9602 -6.9602 -6.7312 -6.7312 -6.7226 -6.7226 -6.4825 -6.4825 -6.4274 -6.4274 -4.5724 -4.5724 -4.5595 -4.5595 -4.5337 -4.5337 -4.5042 -4.5042 -4.4576 -4.4576 -4.4519 -4.4519 -0.2684 -0.2684 0.3967 0.3967 1.8640 1.8640 2.0720 2.0720 2.6760 2.6760 3.2385 3.2385 3.7051 3.7051 3.9985 3.9985 7.4490 7.4490 8.5400 8.5400 9.1928 9.1928 9.6386 9.6386 k =-0.2814 0.7936 0.5004 ( 5338 PWs) bands (ev): -6.9991 -6.9991 -6.9659 -6.9659 -6.7310 -6.7310 -6.7228 -6.7228 -6.4765 -6.4765 -6.4238 -6.4238 -4.5716 -4.5716 -4.5602 -4.5602 -4.5324 -4.5324 -4.5038 -4.5038 -4.4542 -4.4542 -4.4493 -4.4493 -0.2186 -0.2186 0.3784 0.3784 1.8301 1.8301 2.0221 2.0221 2.6733 2.6733 3.1838 3.1838 3.7133 3.7133 3.9745 3.9745 7.5143 7.5143 8.5192 8.5192 9.2863 9.2863 9.7379 9.7379 k =-0.2814 0.7936 0.5221 ( 5334 PWs) bands (ev): -7.0013 -7.0013 -6.9709 -6.9709 -6.7308 -6.7308 -6.7230 -6.7230 -6.4712 -6.4712 -6.4207 -6.4207 -4.5708 -4.5708 -4.5609 -4.5609 -4.5311 -4.5311 -4.5034 -4.5034 -4.4512 -4.4512 -4.4468 -4.4468 -0.1680 -0.1680 0.3558 0.3558 1.7997 1.7997 1.9783 1.9783 2.6770 2.6770 3.1286 3.1286 3.7238 3.7238 3.9517 3.9517 7.5788 7.5788 8.4877 8.4877 9.3732 9.3732 9.8315 9.8315 k =-0.2814 0.7936 0.5439 ( 5334 PWs) bands (ev): -7.0031 -7.0031 -6.9753 -6.9753 -6.7307 -6.7307 -6.7232 -6.7232 -6.4667 -6.4667 -6.4181 -6.4181 -4.5700 -4.5700 -4.5616 -4.5616 -4.5300 -4.5300 -4.5031 -4.5031 -4.4485 -4.4485 -4.4447 -4.4447 -0.1170 -0.1170 0.3288 0.3288 1.7730 1.7730 1.9410 1.9410 2.6869 2.6869 3.0740 3.0740 3.7359 3.7359 3.9301 3.9301 7.6414 7.6414 8.4493 8.4493 9.4510 9.4510 9.9171 9.9171 k =-0.2814 0.7936 0.5656 ( 5340 PWs) bands (ev): -7.0045 -7.0045 -6.9790 -6.9790 -6.7305 -6.7305 -6.7233 -6.7233 -6.4629 -6.4629 -6.4160 -6.4160 -4.5692 -4.5692 -4.5624 -4.5624 -4.5291 -4.5291 -4.5030 -4.5030 -4.4462 -4.4462 -4.4429 -4.4429 -0.0660 -0.0660 0.2977 0.2977 1.7506 1.7506 1.9105 1.9105 2.7025 2.7025 3.0210 3.0210 3.7493 3.7493 3.9096 3.9096 7.7009 7.7009 8.4073 8.4073 9.5174 9.5174 9.9923 9.9923 k =-0.2814 0.7936 0.5874 ( 5330 PWs) bands (ev): -7.0055 -7.0055 -6.9819 -6.9819 -6.7304 -6.7304 -6.7235 -6.7235 -6.4599 -6.4599 -6.4144 -6.4144 -4.5684 -4.5684 -4.5632 -4.5632 -4.5283 -4.5283 -4.5028 -4.5028 -4.4444 -4.4444 -4.4415 -4.4415 -0.0154 -0.0154 0.2627 0.2627 1.7328 1.7328 1.8868 1.8868 2.7233 2.7233 2.9707 2.9707 3.7632 3.7632 3.8905 3.8905 7.7550 7.7550 8.3654 8.3654 9.5708 9.5708 10.0544 10.0544 k =-0.2814 0.7936 0.6091 ( 5334 PWs) bands (ev): -7.0062 -7.0062 -6.9841 -6.9841 -6.7303 -6.7303 -6.7236 -6.7236 -6.4577 -6.4577 -6.4133 -6.4133 -4.5677 -4.5677 -4.5640 -4.5640 -4.5277 -4.5277 -4.5027 -4.5027 -4.4430 -4.4430 -4.4405 -4.4405 0.0340 0.0340 0.2245 0.2245 1.7198 1.7198 1.8699 1.8699 2.7482 2.7482 2.9245 2.9245 3.7767 3.7767 3.8733 3.8733 7.8002 7.8002 8.3282 8.3282 9.6099 9.6099 10.1008 10.1008 k =-0.2814 0.7936 0.6309 ( 5338 PWs) bands (ev): -7.0066 -7.0066 -6.9854 -6.9854 -6.7302 -6.7302 -6.7236 -6.7236 -6.4564 -6.4564 -6.4126 -6.4126 -4.5670 -4.5670 -4.5647 -4.5647 -4.5274 -4.5274 -4.5027 -4.5027 -4.4422 -4.4422 -4.4399 -4.4399 0.0803 0.0803 0.1849 0.1849 1.7120 1.7120 1.8598 1.8598 2.7742 2.7742 2.8856 2.8856 3.7881 3.7881 3.8599 3.8599 7.8313 7.8313 8.3016 8.3016 9.6337 9.6337 10.1295 10.1295 k =-0.2814 0.7936 0.6527 ( 5340 PWs) bands (ev): -7.0067 -7.0067 -6.9859 -6.9859 -6.7302 -6.7302 -6.7237 -6.7237 -6.4560 -6.4560 -6.4124 -6.4124 -4.5666 -4.5666 -4.5651 -4.5651 -4.5273 -4.5273 -4.5027 -4.5027 -4.4420 -4.4420 -4.4397 -4.4397 0.1095 0.1095 0.1579 0.1579 1.7093 1.7093 1.8564 1.8564 2.7887 2.7887 2.8669 2.8669 3.7930 3.7930 3.8543 3.8543 7.8427 7.8427 8.2918 8.2918 9.6417 9.6417 10.1392 10.1392 k =-0.2814 0.7936 0.6527 ( 5340 PWs) bands (ev): -7.0067 -7.0067 -6.9859 -6.9859 -6.7302 -6.7302 -6.7237 -6.7237 -6.4560 -6.4560 -6.4124 -6.4124 -4.5666 -4.5666 -4.5651 -4.5651 -4.5273 -4.5273 -4.5027 -4.5027 -4.4420 -4.4420 -4.4397 -4.4397 0.1095 0.1095 0.1579 0.1579 1.7093 1.7093 1.8564 1.8564 2.7887 2.7887 2.8669 2.8669 3.7930 3.7930 3.8543 3.8543 7.8427 7.8427 8.2918 8.2918 9.6417 9.6417 10.1392 10.1392 k =-0.2887 0.7731 0.6527 ( 5340 PWs) bands (ev): -7.0037 -7.0037 -6.9842 -6.9842 -6.7303 -6.7303 -6.7237 -6.7237 -6.4584 -6.4584 -6.4170 -6.4170 -4.5668 -4.5668 -4.5654 -4.5654 -4.5270 -4.5270 -4.5031 -4.5031 -4.4448 -4.4448 -4.4421 -4.4421 0.0753 0.0753 0.1219 0.1219 1.7335 1.7335 1.8736 1.8736 2.8460 2.8460 2.9204 2.9204 3.8180 3.8180 3.8781 3.8781 7.8010 7.8010 8.2471 8.2471 9.6307 9.6307 10.1275 10.1275 k =-0.2960 0.7525 0.6527 ( 5348 PWs) bands (ev): -7.0004 -7.0004 -6.9822 -6.9822 -6.7304 -6.7304 -6.7238 -6.7238 -6.4616 -6.4616 -6.4223 -6.4223 -4.5670 -4.5670 -4.5657 -4.5657 -4.5268 -4.5268 -4.5036 -4.5036 -4.4480 -4.4480 -4.4448 -4.4448 0.0383 0.0383 0.0829 0.0829 1.7640 1.7640 1.8973 1.8973 2.9069 2.9069 2.9781 2.9781 3.8431 3.8431 3.9022 3.9022 7.7578 7.7578 8.2007 8.2007 9.6164 9.6164 10.1117 10.1117 k =-0.3033 0.7320 0.6527 ( 5348 PWs) bands (ev): -6.9968 -6.9968 -6.9799 -6.9799 -6.7305 -6.7305 -6.7239 -6.7239 -6.4654 -6.4654 -6.4282 -6.4282 -4.5672 -4.5672 -4.5661 -4.5661 -4.5265 -4.5265 -4.5042 -4.5042 -4.4516 -4.4516 -4.4478 -4.4478 -0.0008 -0.0008 0.0416 0.0416 1.8004 1.8004 1.9271 1.9271 2.9709 2.9709 3.0393 3.0393 3.8686 3.8686 3.9267 3.9267 7.7129 7.7129 8.1526 8.1526 9.5990 9.5990 10.0913 10.0913 k =-0.3106 0.7114 0.6527 ( 5344 PWs) bands (ev): -6.9928 -6.9928 -6.9772 -6.9772 -6.7306 -6.7306 -6.7239 -6.7239 -6.4699 -6.4699 -6.4348 -6.4348 -4.5674 -4.5674 -4.5665 -4.5665 -4.5264 -4.5264 -4.5048 -4.5048 -4.4555 -4.4555 -4.4512 -4.4512 -0.0415 -0.0415 -0.0014 -0.0014 1.8423 1.8423 1.9626 1.9626 3.0375 3.0375 3.1033 3.1033 3.8944 3.8944 3.9517 3.9517 7.6665 7.6665 8.1027 8.1027 9.5782 9.5782 10.0658 10.0658 k =-0.3179 0.6909 0.6527 ( 5356 PWs) bands (ev): -6.9886 -6.9886 -6.9743 -6.9743 -6.7307 -6.7307 -6.7240 -6.7240 -6.4750 -6.4750 -6.4420 -6.4420 -4.5676 -4.5676 -4.5669 -4.5669 -4.5262 -4.5262 -4.5055 -4.5055 -4.4597 -4.4597 -4.4548 -4.4548 -0.0834 -0.0834 -0.0455 -0.0455 1.8894 1.8894 2.0034 2.0034 3.1059 3.1059 3.1693 3.1693 3.9208 3.9208 3.9776 3.9776 7.6185 7.6185 8.0510 8.0510 9.5542 9.5542 10.0349 10.0349 k =-0.3252 0.6703 0.6527 ( 5368 PWs) bands (ev): -6.9840 -6.9840 -6.9710 -6.9710 -6.7308 -6.7308 -6.7241 -6.7241 -6.4807 -6.4807 -6.4498 -6.4498 -4.5678 -4.5678 -4.5674 -4.5674 -4.5261 -4.5261 -4.5063 -4.5063 -4.4641 -4.4641 -4.4588 -4.4588 -0.1258 -0.1258 -0.0903 -0.0903 1.9411 1.9411 2.0493 2.0493 3.1756 3.1756 3.2366 3.2366 3.9480 3.9480 4.0046 4.0046 7.5689 7.5689 7.9975 7.9975 9.5270 9.5270 9.9983 9.9983 k =-0.3324 0.6498 0.6527 ( 5356 PWs) bands (ev): -6.9791 -6.9791 -6.9673 -6.9673 -6.7309 -6.7309 -6.7241 -6.7241 -6.4870 -6.4870 -6.4580 -6.4580 -4.5680 -4.5680 -4.5679 -4.5679 -4.5260 -4.5260 -4.5071 -4.5071 -4.4688 -4.4688 -4.4629 -4.4629 -0.1684 -0.1684 -0.1351 -0.1351 1.9971 1.9971 2.0997 2.0997 3.2457 3.2457 3.3042 3.3042 3.9763 3.9763 4.0333 4.0333 7.5178 7.5178 7.9423 7.9423 9.4964 9.4964 9.9559 9.9559 k =-0.3397 0.6293 0.6527 ( 5360 PWs) bands (ev): -6.9740 -6.9740 -6.9634 -6.9634 -6.7311 -6.7311 -6.7241 -6.7241 -6.4939 -6.4939 -6.4668 -6.4668 -4.5683 -4.5683 -4.5682 -4.5682 -4.5260 -4.5260 -4.5079 -4.5079 -4.4735 -4.4735 -4.4672 -4.4672 -0.2108 -0.2108 -0.1797 -0.1797 2.0571 2.0571 2.1544 2.1544 3.3154 3.3154 3.3712 3.3712 4.0060 4.0060 4.0642 4.0642 7.4651 7.4651 7.8853 7.8853 9.4625 9.4625 9.9079 9.9079 k =-0.3470 0.6087 0.6527 ( 5364 PWs) bands (ev): -6.9685 -6.9685 -6.9591 -6.9591 -6.7312 -6.7312 -6.7241 -6.7241 -6.5013 -6.5013 -6.4761 -6.4761 -4.5688 -4.5688 -4.5684 -4.5684 -4.5259 -4.5259 -4.5088 -4.5088 -4.4784 -4.4784 -4.4717 -4.4717 -0.2527 -0.2527 -0.2237 -0.2237 2.1207 2.1207 2.2130 2.2130 3.3840 3.3840 3.4366 3.4366 4.0376 4.0376 4.0978 4.0978 7.4110 7.4110 7.8266 7.8266 9.4255 9.4255 9.8546 9.8546 k =-0.3543 0.5882 0.6527 ( 5354 PWs) bands (ev): -6.9627 -6.9627 -6.9545 -6.9545 -6.7313 -6.7313 -6.7241 -6.7241 -6.5092 -6.5092 -6.4858 -6.4858 -4.5693 -4.5693 -4.5686 -4.5686 -4.5259 -4.5259 -4.5097 -4.5097 -4.4834 -4.4834 -4.4762 -4.4762 -0.2938 -0.2938 -0.2667 -0.2667 2.1876 2.1876 2.2751 2.2751 3.4504 3.4504 3.4992 3.4992 4.0716 4.0716 4.1349 4.1349 7.3556 7.3556 7.7664 7.7664 9.3853 9.3853 9.7964 9.7964 k =-0.3616 0.5676 0.6527 ( 5362 PWs) bands (ev): -6.9567 -6.9567 -6.9497 -6.9497 -6.7315 -6.7315 -6.7241 -6.7241 -6.5176 -6.5176 -6.4958 -6.4958 -4.5698 -4.5698 -4.5688 -4.5688 -4.5260 -4.5260 -4.5106 -4.5106 -4.4883 -4.4883 -4.4809 -4.4809 -0.3339 -0.3339 -0.3087 -0.3087 2.2574 2.2574 2.3403 2.3403 3.5138 3.5138 3.5581 3.5581 4.1084 4.1084 4.1759 4.1759 7.2990 7.2990 7.7046 7.7046 9.3423 9.3423 9.7340 9.7340 k =-0.3689 0.5471 0.6527 ( 5348 PWs) bands (ev): -6.9505 -6.9505 -6.9445 -6.9445 -6.7316 -6.7316 -6.7240 -6.7240 -6.5263 -6.5263 -6.5062 -6.5062 -4.5703 -4.5703 -4.5690 -4.5690 -4.5260 -4.5260 -4.5116 -4.5116 -4.4932 -4.4932 -4.4855 -4.4855 -0.3728 -0.3728 -0.3493 -0.3493 2.3298 2.3298 2.4083 2.4083 3.5735 3.5735 3.6125 3.6125 4.1482 4.1482 4.2211 4.2211 7.2414 7.2414 7.6415 7.6415 9.2967 9.2967 9.6680 9.6680 k =-0.3762 0.5265 0.6527 ( 5348 PWs) bands (ev): -6.9439 -6.9439 -6.9390 -6.9390 -6.7317 -6.7317 -6.7239 -6.7239 -6.5355 -6.5355 -6.5169 -6.5169 -4.5708 -4.5708 -4.5693 -4.5693 -4.5261 -4.5261 -4.5127 -4.5127 -4.4980 -4.4980 -4.4902 -4.4902 -0.4101 -0.4101 -0.3884 -0.3884 2.4043 2.4043 2.4785 2.4785 3.6288 3.6288 3.6619 3.6619 4.1911 4.1911 4.2705 4.2705 7.1831 7.1831 7.5772 7.5772 9.2489 9.2489 9.5992 9.5992 k =-0.3834 0.5060 0.6527 ( 5350 PWs) bands (ev): -6.9372 -6.9372 -6.9333 -6.9333 -6.7318 -6.7318 -6.7238 -6.7238 -6.5449 -6.5449 -6.5278 -6.5278 -4.5713 -4.5713 -4.5695 -4.5695 -4.5262 -4.5262 -4.5138 -4.5138 -4.5025 -4.5025 -4.4948 -4.4948 -0.4460 -0.4460 -0.4259 -0.4259 2.4805 2.4805 2.5505 2.5505 3.6795 3.6795 3.7061 3.7061 4.2370 4.2370 4.3237 4.3237 7.1245 7.1245 7.5121 7.5121 9.1992 9.1992 9.5284 9.5284 k =-0.3907 0.4855 0.6527 ( 5356 PWs) bands (ev): -6.9303 -6.9303 -6.9274 -6.9274 -6.7319 -6.7319 -6.7236 -6.7236 -6.5547 -6.5547 -6.5389 -6.5389 -4.5718 -4.5718 -4.5697 -4.5697 -4.5264 -4.5264 -4.5153 -4.5153 -4.5067 -4.5067 -4.4992 -4.4992 -0.4800 -0.4800 -0.4615 -0.4615 2.5580 2.5580 2.6238 2.6238 3.7258 3.7258 3.7456 3.7456 4.2852 4.2852 4.3797 4.3797 7.0658 7.0658 7.4464 7.4464 9.1484 9.1484 9.4565 9.4565 k =-0.3980 0.4649 0.6527 ( 5352 PWs) bands (ev): -6.9232 -6.9232 -6.9212 -6.9212 -6.7319 -6.7319 -6.7234 -6.7234 -6.5647 -6.5647 -6.5500 -6.5500 -4.5723 -4.5723 -4.5700 -4.5700 -4.5266 -4.5266 -4.5172 -4.5172 -4.5102 -4.5102 -4.5036 -4.5036 -0.5123 -0.5123 -0.4953 -0.4953 2.6361 2.6361 2.6977 2.6977 3.7682 3.7682 3.7809 3.7809 4.3347 4.3347 4.4372 4.4372 7.0078 7.0078 7.3805 7.3805 9.0969 9.0969 9.3842 9.3842 k =-0.4053 0.4444 0.6527 ( 5348 PWs) bands (ev): -6.9159 -6.9159 -6.9149 -6.9149 -6.7319 -6.7319 -6.7232 -6.7232 -6.5748 -6.5748 -6.5613 -6.5613 -4.5727 -4.5727 -4.5702 -4.5702 -4.5269 -4.5269 -4.5198 -4.5198 -4.5128 -4.5128 -4.5077 -4.5077 -0.5426 -0.5426 -0.5270 -0.5270 2.7142 2.7142 2.7717 2.7717 3.8072 3.8072 3.8129 3.8129 4.3842 4.3842 4.4948 4.4948 6.9511 6.9511 7.3148 7.3148 9.0455 9.0455 9.3123 9.3123 k =-0.4126 0.4238 0.6527 ( 5356 PWs) bands (ev): -6.9086 -6.9086 -6.9083 -6.9083 -6.7319 -6.7319 -6.7228 -6.7228 -6.5851 -6.5851 -6.5725 -6.5725 -4.5731 -4.5731 -4.5705 -4.5705 -4.5273 -4.5273 -4.5230 -4.5230 -4.5145 -4.5145 -4.5115 -4.5115 -0.5709 -0.5709 -0.5567 -0.5567 2.7917 2.7917 2.8448 2.8448 3.8423 3.8423 3.8437 3.8437 4.4326 4.4326 4.5508 4.5508 6.8966 6.8966 7.2500 7.2500 8.9947 8.9947 9.2416 9.2416 k =-0.4199 0.4033 0.6527 ( 5360 PWs) bands (ev): -6.9017 -6.9017 -6.9012 -6.9012 -6.7318 -6.7318 -6.7224 -6.7224 -6.5954 -6.5954 -6.5837 -6.5837 -4.5735 -4.5735 -4.5708 -4.5708 -4.5278 -4.5278 -4.5264 -4.5264 -4.5158 -4.5158 -4.5150 -4.5150 -0.5971 -0.5971 -0.5842 -0.5842 2.8677 2.8677 2.9163 2.9163 3.8702 3.8702 3.8786 3.8786 4.4784 4.4784 4.6035 4.6035 6.8450 6.8450 7.1865 7.1865 8.9454 8.9454 9.1727 9.1727 k =-0.4271 0.3827 0.6527 ( 5362 PWs) bands (ev): -6.8950 -6.8950 -6.8938 -6.8938 -6.7317 -6.7317 -6.7220 -6.7220 -6.6056 -6.6056 -6.5947 -6.5947 -4.5739 -4.5739 -4.5711 -4.5711 -4.5296 -4.5296 -4.5286 -4.5286 -4.5179 -4.5179 -4.5168 -4.5168 -0.6211 -0.6211 -0.6096 -0.6096 2.9414 2.9414 2.9852 2.9852 3.8975 3.8975 3.9128 3.9128 4.5204 4.5204 4.6512 4.6512 6.7976 6.7976 7.1249 7.1249 8.8983 8.8983 9.1063 9.1063 k =-0.4344 0.3622 0.6527 ( 5362 PWs) bands (ev): -6.8883 -6.8883 -6.8865 -6.8865 -6.7314 -6.7314 -6.7214 -6.7214 -6.6158 -6.6158 -6.6055 -6.6055 -4.5743 -4.5743 -4.5715 -4.5715 -4.5326 -4.5326 -4.5299 -4.5299 -4.5201 -4.5201 -4.5177 -4.5177 -0.6429 -0.6429 -0.6327 -0.6327 3.0117 3.0117 3.0505 3.0505 3.9247 3.9247 3.9468 3.9468 4.5575 4.5575 4.6923 4.6923 6.7553 6.7553 7.0659 7.0659 8.8539 8.8539 9.0430 9.0430 k =-0.4417 0.3417 0.6527 ( 5366 PWs) bands (ev): -6.8817 -6.8817 -6.8795 -6.8795 -6.7310 -6.7310 -6.7208 -6.7208 -6.6257 -6.6257 -6.6160 -6.6160 -4.5746 -4.5746 -4.5718 -4.5718 -4.5353 -4.5353 -4.5316 -4.5316 -4.5217 -4.5217 -4.5186 -4.5186 -0.6625 -0.6625 -0.6535 -0.6535 3.0775 3.0775 3.1112 3.1112 3.9528 3.9528 3.9812 3.9812 4.5888 4.5888 4.7255 4.7255 6.7193 6.7193 7.0100 7.0100 8.8131 8.8131 8.9831 8.9831 k =-0.4490 0.3211 0.6527 ( 5366 PWs) bands (ev): -6.8753 -6.8753 -6.8727 -6.8727 -6.7304 -6.7304 -6.7200 -6.7200 -6.6352 -6.6352 -6.6260 -6.6260 -4.5748 -4.5748 -4.5722 -4.5722 -4.5377 -4.5377 -4.5335 -4.5335 -4.5226 -4.5226 -4.5193 -4.5193 -0.6798 -0.6798 -0.6720 -0.6720 3.1379 3.1379 3.1664 3.1664 3.9820 3.9820 4.0161 4.0161 4.6141 4.6141 4.7497 4.7497 6.6904 6.6904 6.9575 6.9575 8.7766 8.7766 8.9273 8.9273 k =-0.4563 0.3006 0.6527 ( 5362 PWs) bands (ev): -6.8692 -6.8692 -6.8664 -6.8664 -6.7296 -6.7296 -6.7192 -6.7192 -6.6443 -6.6443 -6.6355 -6.6355 -4.5750 -4.5750 -4.5726 -4.5726 -4.5397 -4.5397 -4.5356 -4.5356 -4.5231 -4.5231 -4.5200 -4.5200 -0.6948 -0.6948 -0.6881 -0.6881 3.1917 3.1917 3.2151 3.2151 4.0125 4.0125 4.0511 4.0511 4.6335 4.6335 4.7644 4.7644 6.6694 6.6694 6.9089 6.9089 8.7449 8.7449 8.8760 8.8760 k =-0.4636 0.2800 0.6527 ( 5370 PWs) bands (ev): -6.8635 -6.8635 -6.8606 -6.8606 -6.7285 -6.7285 -6.7184 -6.7184 -6.6526 -6.6526 -6.6444 -6.6444 -4.5751 -4.5751 -4.5730 -4.5730 -4.5413 -4.5413 -4.5375 -4.5375 -4.5234 -4.5234 -4.5206 -4.5206 -0.7074 -0.7074 -0.7019 -0.7019 3.2383 3.2383 3.2568 3.2568 4.0440 4.0440 4.0851 4.0851 4.6476 4.6476 4.7695 4.7695 6.6565 6.6565 6.8642 6.8642 8.7188 8.7188 8.8296 8.8296 k =-0.4709 0.2595 0.6527 ( 5366 PWs) bands (ev): -6.8584 -6.8584 -6.8557 -6.8557 -6.7271 -6.7271 -6.7177 -6.7177 -6.6600 -6.6600 -6.6524 -6.6524 -4.5752 -4.5752 -4.5734 -4.5734 -4.5425 -4.5425 -4.5393 -4.5393 -4.5234 -4.5234 -4.5212 -4.5212 -0.7177 -0.7177 -0.7133 -0.7133 3.2769 3.2769 3.2908 3.2908 4.0758 4.0758 4.1165 4.1165 4.6579 4.6579 4.7659 4.7659 6.6516 6.6516 6.8235 6.8235 8.6987 8.6987 8.7886 8.7886 k =-0.4781 0.2389 0.6527 ( 5350 PWs) bands (ev): -6.8540 -6.8540 -6.8517 -6.8517 -6.7254 -6.7254 -6.7172 -6.7172 -6.6660 -6.6660 -6.6595 -6.6595 -4.5752 -4.5752 -4.5738 -4.5738 -4.5433 -4.5433 -4.5408 -4.5408 -4.5234 -4.5234 -4.5217 -4.5217 -0.7256 -0.7256 -0.7223 -0.7223 3.3072 3.3072 3.3171 3.3171 4.1063 4.1063 4.1428 4.1428 4.6665 4.6665 4.7551 4.7551 6.6542 6.6542 6.7867 6.7867 8.6852 8.6852 8.7535 8.7535 k =-0.4854 0.2184 0.6527 ( 5354 PWs) bands (ev): -6.8506 -6.8506 -6.8489 -6.8489 -6.7235 -6.7235 -6.7173 -6.7173 -6.6702 -6.6702 -6.6653 -6.6653 -4.5752 -4.5752 -4.5742 -4.5742 -4.5438 -4.5438 -4.5420 -4.5420 -4.5233 -4.5233 -4.5221 -4.5221 -0.7310 -0.7310 -0.7288 -0.7288 3.3292 3.3292 3.3355 3.3355 4.1334 4.1334 4.1614 4.1614 4.6758 4.6758 4.7391 4.7391 6.6637 6.6637 6.7537 6.7537 8.6787 8.6787 8.7247 8.7247 k =-0.4927 0.1979 0.6527 ( 5352 PWs) bands (ev): -6.8482 -6.8482 -6.8474 -6.8474 -6.7214 -6.7214 -6.7180 -6.7180 -6.6723 -6.6723 -6.6696 -6.6696 -4.5750 -4.5750 -4.5745 -4.5745 -4.5438 -4.5438 -4.5430 -4.5430 -4.5231 -4.5231 -4.5225 -4.5225 -0.7341 -0.7341 -0.7330 -0.7330 3.3429 3.3429 3.3459 3.3459 4.1547 4.1547 4.1700 4.1700 4.6877 4.6877 4.7209 4.7209 6.6791 6.6791 6.7246 6.7246 8.6794 8.6794 8.7025 8.7025 k =-0.5000 0.1773 0.6527 ( 5352 PWs) bands (ev): -6.8471 -6.8471 -6.8471 -6.8471 -6.7194 -6.7194 -6.7194 -6.7194 -6.6720 -6.6720 -6.6720 -6.6720 -4.5748 -4.5748 -4.5748 -4.5748 -4.5436 -4.5436 -4.5436 -4.5436 -4.5228 -4.5228 -4.5228 -4.5228 -0.7348 -0.7348 -0.7348 -0.7348 3.3484 3.3484 3.3484 3.3484 4.1676 4.1676 4.1676 4.1676 4.7030 4.7030 4.7030 4.7030 6.6996 6.6996 6.6996 6.6996 8.6873 8.6873 8.6873 8.6873 k =-0.5000 0.1773 0.6527 ( 5352 PWs) bands (ev): -6.8471 -6.8471 -6.8471 -6.8471 -6.7194 -6.7194 -6.7194 -6.7194 -6.6720 -6.6720 -6.6720 -6.6720 -4.5748 -4.5748 -4.5748 -4.5748 -4.5436 -4.5436 -4.5436 -4.5436 -4.5228 -4.5228 -4.5228 -4.5228 -0.7348 -0.7348 -0.7348 -0.7348 3.3484 3.3484 3.3484 3.3484 4.1676 4.1676 4.1676 4.1676 4.7030 4.7030 4.7030 4.7030 6.6996 6.6996 6.6996 6.6996 8.6873 8.6873 8.6873 8.6873 k =-0.5000 0.1773 0.6309 ( 5348 PWs) bands (ev): -6.8534 -6.8534 -6.8414 -6.8414 -6.7201 -6.7201 -6.7188 -6.7188 -6.6791 -6.6791 -6.6649 -6.6649 -4.5754 -4.5754 -4.5742 -4.5742 -4.5447 -4.5447 -4.5423 -4.5423 -4.5240 -4.5240 -4.5216 -4.5216 -0.7502 -0.7502 -0.7160 -0.7160 3.3289 3.3289 3.3655 3.3655 4.1536 4.1536 4.1782 4.1782 4.6627 4.6627 4.7406 4.7406 6.6447 6.6447 6.7578 6.7578 8.6769 8.6769 8.7030 8.7030 k =-0.5000 0.1773 0.6091 ( 5352 PWs) bands (ev): -6.8600 -6.8600 -6.8362 -6.8362 -6.7207 -6.7207 -6.7181 -6.7181 -6.6861 -6.6861 -6.6580 -6.6580 -4.5760 -4.5760 -4.5735 -4.5735 -4.5458 -4.5458 -4.5409 -4.5409 -4.5251 -4.5251 -4.5203 -4.5203 -0.7622 -0.7622 -0.6938 -0.6938 3.3069 3.3069 3.3798 3.3798 4.1364 4.1364 4.1851 4.1851 4.6220 4.6220 4.7736 4.7736 6.5950 6.5950 6.8175 6.8175 8.6722 8.6722 8.7233 8.7233 k =-0.5000 0.1773 0.5874 ( 5348 PWs) bands (ev): -6.8671 -6.8671 -6.8318 -6.8318 -6.7213 -6.7213 -6.7174 -6.7174 -6.6929 -6.6929 -6.6512 -6.6512 -4.5765 -4.5765 -4.5728 -4.5728 -4.5467 -4.5467 -4.5394 -4.5394 -4.5260 -4.5260 -4.5190 -4.5190 -0.7710 -0.7710 -0.6682 -0.6682 3.2825 3.2825 3.3914 3.3914 4.1163 4.1163 4.1876 4.1876 4.5827 4.5827 4.7997 4.7997 6.5527 6.5527 6.8770 6.8770 8.6738 8.6738 8.7478 8.7478 k =-0.5000 0.1773 0.5656 ( 5348 PWs) bands (ev): -6.8744 -6.8744 -6.8282 -6.8282 -6.7221 -6.7221 -6.7166 -6.7166 -6.6992 -6.6992 -6.6447 -6.6447 -4.5770 -4.5770 -4.5721 -4.5721 -4.5475 -4.5475 -4.5380 -4.5380 -4.5269 -4.5269 -4.5175 -4.5175 -0.7765 -0.7765 -0.6391 -0.6391 3.2560 3.2560 3.4002 3.4002 4.0930 4.0930 4.1852 4.1852 4.5469 4.5469 4.8170 4.8170 6.5200 6.5200 6.9351 6.9351 8.6819 8.6819 8.7761 8.7761 k =-0.5000 0.1773 0.5439 ( 5346 PWs) bands (ev): -6.8820 -6.8820 -6.8256 -6.8256 -6.7229 -6.7229 -6.7160 -6.7160 -6.7047 -6.7047 -6.6385 -6.6385 -4.5774 -4.5774 -4.5714 -4.5714 -4.5481 -4.5481 -4.5366 -4.5366 -4.5276 -4.5276 -4.5160 -4.5160 -0.7789 -0.7789 -0.6067 -0.6067 3.2275 3.2275 3.4061 3.4061 4.0665 4.0665 4.1778 4.1778 4.5159 4.5159 4.8238 4.8238 6.4987 6.4987 6.9908 6.9908 8.6968 8.6968 8.8077 8.8077 k =-0.5000 0.1773 0.5221 ( 5344 PWs) bands (ev): -6.8897 -6.8897 -6.8241 -6.8241 -6.7241 -6.7241 -6.7157 -6.7157 -6.7087 -6.7087 -6.6326 -6.6326 -4.5778 -4.5778 -4.5706 -4.5706 -4.5486 -4.5486 -4.5354 -4.5354 -4.5280 -4.5280 -4.5143 -4.5143 -0.7783 -0.7783 -0.5710 -0.5710 3.1970 3.1970 3.4090 3.4090 4.0363 4.0363 4.1656 4.1656 4.4905 4.4905 4.8189 4.8189 6.4902 6.4902 7.0434 7.0434 8.7185 8.7185 8.8426 8.8426 k =-0.5000 0.1773 0.5004 ( 5340 PWs) bands (ev): -6.8976 -6.8976 -6.8239 -6.8239 -6.7256 -6.7256 -6.7166 -6.7166 -6.7104 -6.7104 -6.6270 -6.6270 -4.5781 -4.5781 -4.5699 -4.5699 -4.5490 -4.5490 -4.5346 -4.5346 -4.5279 -4.5279 -4.5126 -4.5126 -0.7747 -0.7747 -0.5320 -0.5320 3.1649 3.1649 3.4089 3.4089 4.0024 4.0024 4.1495 4.1495 4.4707 4.4707 4.8020 4.8020 6.4952 6.4952 7.0924 7.0924 8.7468 8.7468 8.8807 8.8807 k =-0.5000 0.1773 0.4786 ( 5332 PWs) bands (ev): -6.9056 -6.9056 -6.8251 -6.8251 -6.7275 -6.7275 -6.7180 -6.7180 -6.7100 -6.7100 -6.6217 -6.6217 -4.5783 -4.5783 -4.5691 -4.5691 -4.5492 -4.5492 -4.5344 -4.5344 -4.5272 -4.5272 -4.5108 -4.5108 -0.7684 -0.7684 -0.4897 -0.4897 3.1312 3.1312 3.4056 3.4056 3.9649 3.9649 4.1310 4.1310 4.4557 4.4557 4.7733 4.7733 6.5134 6.5134 7.1378 7.1378 8.7811 8.7811 8.9223 8.9223 k =-0.5000 0.1773 0.4569 ( 5344 PWs) bands (ev): -6.9136 -6.9136 -6.8276 -6.8276 -6.7293 -6.7293 -6.7191 -6.7191 -6.7089 -6.7089 -6.6168 -6.6168 -4.5785 -4.5785 -4.5683 -4.5683 -4.5495 -4.5495 -4.5346 -4.5346 -4.5260 -4.5260 -4.5089 -4.5089 -0.7596 -0.7596 -0.4444 -0.4444 3.0962 3.0962 3.3990 3.3990 3.9240 3.9240 4.1111 4.1111 4.4441 4.4441 4.7343 4.7343 6.5438 6.5438 7.1798 7.1798 8.8207 8.8207 8.9674 8.9674 k =-0.5000 0.1773 0.4351 ( 5346 PWs) bands (ev): -6.9216 -6.9216 -6.8314 -6.8314 -6.7308 -6.7308 -6.7199 -6.7199 -6.7075 -6.7075 -6.6123 -6.6123 -4.5786 -4.5786 -4.5675 -4.5675 -4.5496 -4.5496 -4.5351 -4.5351 -4.5246 -4.5246 -4.5069 -4.5069 -0.7483 -0.7483 -0.3961 -0.3961 3.0601 3.0601 3.3889 3.3889 3.8805 3.8805 4.0910 4.0910 4.4347 4.4347 4.6868 4.6868 6.5848 6.5848 7.2190 7.2190 8.8647 8.8647 9.0167 9.0167 k =-0.5000 0.1773 0.4134 ( 5350 PWs) bands (ev): -6.9296 -6.9296 -6.8364 -6.8364 -6.7317 -6.7317 -6.7204 -6.7204 -6.7058 -6.7058 -6.6081 -6.6081 -4.5787 -4.5787 -4.5667 -4.5667 -4.5497 -4.5497 -4.5358 -4.5358 -4.5231 -4.5231 -4.5049 -4.5049 -0.7347 -0.7347 -0.3450 -0.3450 3.0232 3.0232 3.3753 3.3753 3.8351 3.8351 4.0710 4.0710 4.4265 4.4265 4.6329 4.6329 6.6341 6.6341 7.2562 7.2562 8.9117 8.9117 9.0703 9.0703 k =-0.5000 0.1773 0.3916 ( 5346 PWs) bands (ev): -6.9375 -6.9375 -6.8422 -6.8422 -6.7322 -6.7322 -6.7208 -6.7208 -6.7040 -6.7040 -6.6042 -6.6042 -4.5786 -4.5786 -4.5658 -4.5658 -4.5498 -4.5498 -4.5364 -4.5364 -4.5215 -4.5215 -4.5028 -4.5028 -0.7192 -0.7192 -0.2913 -0.2913 2.9855 2.9855 3.3579 3.3579 3.7886 3.7886 4.0515 4.0515 4.4181 4.4181 4.5755 4.5755 6.6893 6.6893 7.2929 7.2929 8.9608 8.9608 9.1286 9.1286 k =-0.5000 0.1773 0.3698 ( 5358 PWs) bands (ev): -6.9453 -6.9453 -6.8487 -6.8487 -6.7322 -6.7322 -6.7211 -6.7211 -6.7021 -6.7021 -6.6007 -6.6007 -4.5785 -4.5785 -4.5650 -4.5650 -4.5499 -4.5499 -4.5371 -4.5371 -4.5199 -4.5199 -4.5007 -4.5007 -0.7018 -0.7018 -0.2351 -0.2351 2.9474 2.9474 3.3364 3.3364 3.7415 3.7415 4.0326 4.0326 4.4077 4.4077 4.5181 4.5181 6.7478 6.7478 7.3306 7.3306 9.0105 9.0105 9.1914 9.1914 k =-0.5000 0.1773 0.3481 ( 5364 PWs) bands (ev): -6.9529 -6.9529 -6.8556 -6.8556 -6.7321 -6.7321 -6.7214 -6.7214 -6.7000 -6.7000 -6.5975 -6.5975 -4.5783 -4.5783 -4.5642 -4.5642 -4.5501 -4.5501 -4.5377 -4.5377 -4.5184 -4.5184 -4.4986 -4.4986 -0.6830 -0.6830 -0.1767 -0.1767 2.9091 2.9091 3.3107 3.3107 3.6945 3.6945 4.0143 4.0143 4.3905 4.3905 4.4672 4.4672 6.8065 6.8065 7.3716 7.3716 9.0598 9.0598 9.2586 9.2586 k =-0.5000 0.1773 0.3263 ( 5366 PWs) bands (ev): -6.9603 -6.9603 -6.8628 -6.8628 -6.7317 -6.7317 -6.7216 -6.7216 -6.6979 -6.6979 -6.5946 -6.5946 -4.5780 -4.5780 -4.5634 -4.5634 -4.5503 -4.5503 -4.5382 -4.5382 -4.5168 -4.5168 -4.4965 -4.4965 -0.6629 -0.6629 -0.1164 -0.1164 2.8709 2.8709 3.2803 3.2803 3.6481 3.6481 3.9966 3.9966 4.3567 4.3567 4.4342 4.4342 6.8625 6.8625 7.4181 7.4181 9.1076 9.1076 9.3293 9.3293 k =-0.5000 0.1773 0.3046 ( 5366 PWs) bands (ev): -6.9674 -6.9674 -6.8701 -6.8701 -6.7312 -6.7312 -6.7218 -6.7218 -6.6958 -6.6958 -6.5920 -6.5920 -4.5777 -4.5777 -4.5625 -4.5625 -4.5506 -4.5506 -4.5387 -4.5387 -4.5154 -4.5154 -4.4944 -4.4944 -0.6418 -0.6418 -0.0544 -0.0544 2.8331 2.8331 3.2451 3.2451 3.6029 3.6029 3.9794 3.9794 4.3090 4.3090 4.4178 4.4178 6.9132 6.9132 7.4723 7.4723 9.1528 9.1528 9.4029 9.4029 k =-0.5000 0.1773 0.2828 ( 5366 PWs) bands (ev): -6.9742 -6.9742 -6.8773 -6.8773 -6.7306 -6.7306 -6.7219 -6.7219 -6.6937 -6.6937 -6.5896 -6.5896 -4.5772 -4.5772 -4.5618 -4.5618 -4.5510 -4.5510 -4.5391 -4.5391 -4.5140 -4.5140 -4.4923 -4.4923 -0.6200 -0.6200 0.0087 0.0087 2.7959 2.7959 3.2049 3.2049 3.5595 3.5595 3.9627 3.9627 4.2590 4.2590 4.4077 4.4077 6.9565 6.9565 7.5358 7.5358 9.1942 9.1942 9.4782 9.4782 k =-0.5000 0.1773 0.2611 ( 5360 PWs) bands (ev): -6.9807 -6.9807 -6.8844 -6.8844 -6.7300 -6.7300 -6.7221 -6.7221 -6.6917 -6.6917 -6.5875 -6.5875 -4.5767 -4.5767 -4.5610 -4.5610 -4.5515 -4.5515 -4.5395 -4.5395 -4.5126 -4.5126 -4.4904 -4.4904 -0.5979 -0.5979 0.0727 0.0727 2.7596 2.7596 3.1597 3.1597 3.5185 3.5185 3.9466 3.9466 4.2119 4.2119 4.3997 4.3997 6.9917 6.9917 7.6089 7.6089 9.2304 9.2304 9.5541 9.5541 k =-0.5000 0.1773 0.2393 ( 5360 PWs) bands (ev): -6.9868 -6.9868 -6.8912 -6.8912 -6.7294 -6.7294 -6.7223 -6.7223 -6.6897 -6.6897 -6.5857 -6.5857 -4.5761 -4.5761 -4.5603 -4.5603 -4.5521 -4.5521 -4.5397 -4.5397 -4.5114 -4.5114 -4.4885 -4.4885 -0.5757 -0.5757 0.1369 0.1369 2.7246 2.7246 3.1098 3.1098 3.4803 3.4803 3.9310 3.9310 4.1693 4.1693 4.3926 4.3926 7.0191 7.0191 7.6912 7.6912 9.2596 9.2596 9.6293 9.6293 k =-0.5000 0.1773 0.2176 ( 5366 PWs) bands (ev): -6.9925 -6.9925 -6.8976 -6.8976 -6.7289 -6.7289 -6.7224 -6.7224 -6.6878 -6.6878 -6.5841 -6.5841 -4.5755 -4.5755 -4.5596 -4.5596 -4.5528 -4.5528 -4.5399 -4.5399 -4.5102 -4.5102 -4.4868 -4.4868 -0.5539 -0.5539 0.2008 0.2008 2.6912 2.6912 3.0559 3.0559 3.4452 3.4452 3.9159 3.9159 4.1320 4.1320 4.3861 4.3861 7.0396 7.0396 7.7812 7.7812 9.2801 9.2801 9.7025 9.7025 k =-0.5000 0.1773 0.1958 ( 5358 PWs) bands (ev): -6.9978 -6.9978 -6.9037 -6.9037 -6.7283 -6.7283 -6.7226 -6.7226 -6.6860 -6.6860 -6.5827 -6.5827 -4.5748 -4.5748 -4.5590 -4.5590 -4.5535 -4.5535 -4.5400 -4.5400 -4.5091 -4.5091 -4.4851 -4.4851 -0.5327 -0.5327 0.2636 0.2636 2.6597 2.6597 2.9992 2.9992 3.4136 3.4136 3.9015 3.9015 4.0999 4.0999 4.3800 4.3800 7.0547 7.0547 7.8775 7.8775 9.2900 9.2900 9.7721 9.7721 k =-0.5000 0.1773 0.1740 ( 5350 PWs) bands (ev): -7.0025 -7.0025 -6.9092 -6.9092 -6.7278 -6.7278 -6.7227 -6.7227 -6.6844 -6.6844 -6.5814 -6.5814 -4.5741 -4.5741 -4.5585 -4.5585 -4.5542 -4.5542 -4.5401 -4.5401 -4.5081 -4.5081 -4.4836 -4.4836 -0.5126 -0.5126 0.3246 0.3246 2.6305 2.6305 2.9411 2.9411 3.3854 3.3854 3.8881 3.8881 4.0730 4.0730 4.3744 4.3744 7.0654 7.0654 7.9784 7.9784 9.2878 9.2878 9.8368 9.8368 k =-0.5000 0.1773 0.1523 ( 5342 PWs) bands (ev): -7.0068 -7.0068 -6.9142 -6.9142 -6.7273 -6.7273 -6.7229 -6.7229 -6.6829 -6.6829 -6.5804 -6.5804 -4.5733 -4.5733 -4.5582 -4.5582 -4.5548 -4.5548 -4.5402 -4.5402 -4.5071 -4.5071 -4.4823 -4.4823 -0.4938 -0.4938 0.3828 0.3828 2.6039 2.6039 2.8833 2.8833 3.3607 3.3607 3.8756 3.8756 4.0506 4.0506 4.3692 4.3692 7.0729 7.0729 8.0825 8.0825 9.2726 9.2726 9.8955 9.8955 k =-0.5000 0.1773 0.1305 ( 5338 PWs) bands (ev): -7.0106 -7.0106 -6.9186 -6.9186 -6.7268 -6.7268 -6.7231 -6.7231 -6.6816 -6.6816 -6.5795 -6.5795 -4.5725 -4.5725 -4.5582 -4.5582 -4.5552 -4.5552 -4.5402 -4.5402 -4.5063 -4.5063 -4.4811 -4.4811 -0.4767 -0.4767 0.4371 0.4371 2.5803 2.5803 2.8275 2.8275 3.3394 3.3394 3.8644 3.8644 4.0324 4.0324 4.3645 4.3645 7.0781 7.0781 8.1884 8.1884 9.2440 9.2440 9.9476 9.9476 k =-0.5000 0.1773 0.1088 ( 5340 PWs) bands (ev): -7.0138 -7.0138 -6.9225 -6.9225 -6.7264 -6.7264 -6.7232 -6.7232 -6.6805 -6.6805 -6.5788 -6.5788 -4.5717 -4.5717 -4.5585 -4.5585 -4.5553 -4.5553 -4.5403 -4.5403 -4.5057 -4.5057 -4.4801 -4.4801 -0.4617 -0.4617 0.4863 0.4863 2.5599 2.5599 2.7757 2.7757 3.3215 3.3215 3.8547 3.8547 4.0178 4.0178 4.3605 4.3605 7.0815 7.0815 8.2949 8.2949 9.2024 9.2024 9.9932 9.9932 k =-0.5000 0.1773 0.0870 ( 5334 PWs) bands (ev): -7.0165 -7.0165 -6.9256 -6.9256 -6.7260 -6.7260 -6.7234 -6.7234 -6.6795 -6.6795 -6.5782 -6.5782 -4.5709 -4.5709 -4.5591 -4.5591 -4.5552 -4.5552 -4.5403 -4.5403 -4.5051 -4.5051 -4.4793 -4.4793 -0.4489 -0.4489 0.5292 0.5292 2.5432 2.5432 2.7296 2.7296 3.3069 3.3069 3.8465 3.8465 4.0065 4.0065 4.3570 4.3570 7.0837 7.0837 8.4007 8.4007 9.1491 9.1491 10.0329 10.0329 k =-0.5000 0.1773 0.0653 ( 5320 PWs) bands (ev): -7.0186 -7.0186 -6.9281 -6.9281 -6.7256 -6.7256 -6.7236 -6.7236 -6.6788 -6.6788 -6.5778 -6.5778 -4.5702 -4.5702 -4.5597 -4.5597 -4.5550 -4.5550 -4.5403 -4.5403 -4.5046 -4.5046 -4.4786 -4.4786 -0.4387 -0.4387 0.5643 0.5643 2.5302 2.5302 2.6912 2.6912 3.2955 3.2955 3.8401 3.8401 3.9980 3.9980 4.3543 4.3543 7.0850 7.0850 8.5041 8.5041 9.0860 9.0860 10.0674 10.0674 k =-0.5000 0.1773 0.0435 ( 5316 PWs) bands (ev): -7.0201 -7.0201 -6.9299 -6.9299 -6.7253 -6.7253 -6.7238 -6.7238 -6.6782 -6.6782 -6.5775 -6.5775 -4.5696 -4.5696 -4.5603 -4.5603 -4.5549 -4.5549 -4.5403 -4.5403 -4.5043 -4.5043 -4.4781 -4.4781 -0.4312 -0.4312 0.5905 0.5905 2.5211 2.5211 2.6621 2.6621 3.2875 3.2875 3.8354 3.8354 3.9921 3.9921 4.3524 4.3524 7.0858 7.0858 8.6025 8.6025 9.0159 9.0159 10.0977 10.0977 k =-0.5000 0.1773 0.0218 ( 5316 PWs) bands (ev): -7.0210 -7.0210 -6.9309 -6.9309 -6.7250 -6.7250 -6.7240 -6.7240 -6.6779 -6.6779 -6.5773 -6.5773 -4.5691 -4.5691 -4.5607 -4.5607 -4.5548 -4.5548 -4.5403 -4.5403 -4.5041 -4.5041 -4.4778 -4.4778 -0.4267 -0.4267 0.6067 0.6067 2.5157 2.5157 2.6438 2.6438 3.2826 3.2826 3.8326 3.8326 3.9887 3.9887 4.3512 4.3512 7.0862 7.0862 8.6886 8.6886 8.9467 8.9467 10.1249 10.1249 k =-0.5000 0.1773 0.0000 ( 5308 PWs) bands (ev): -7.0213 -7.0213 -6.9313 -6.9313 -6.7249 -6.7249 -6.7241 -6.7241 -6.6778 -6.6778 -6.5772 -6.5772 -4.5690 -4.5690 -4.5609 -4.5609 -4.5548 -4.5548 -4.5403 -4.5403 -4.5040 -4.5040 -4.4777 -4.4777 -0.4252 -0.4252 0.6121 0.6121 2.5140 2.5140 2.6376 2.6376 3.2810 3.2810 3.8317 3.8317 3.9875 3.9875 4.3508 4.3508 7.0863 7.0863 8.7321 8.7321 8.9088 8.9088 10.1472 10.1472 k = 0.0000 0.0000 0.6527 ( 5318 PWs) bands (ev): -6.9200 -6.9200 -6.9200 -6.9200 -6.7260 -6.7260 -6.7260 -6.7260 -6.6182 -6.6182 -6.6182 -6.6182 -4.5704 -4.5704 -4.5704 -4.5704 -4.5413 -4.5413 -4.5413 -4.5413 -4.5075 -4.5075 -4.5075 -4.5075 -0.3386 -0.3386 -0.3386 -0.3386 2.5192 2.5192 2.5192 2.5192 3.7992 3.7992 3.7992 3.7992 4.7087 4.7087 4.7087 4.7087 7.3018 7.3018 7.3018 7.3018 8.5828 8.5828 8.5828 8.5828 k =-0.0200 0.0071 0.6527 ( 5324 PWs) bands (ev): -6.9198 -6.9198 -6.9198 -6.9198 -6.7260 -6.7260 -6.7260 -6.7260 -6.6184 -6.6184 -6.6184 -6.6184 -4.5704 -4.5704 -4.5704 -4.5704 -4.5413 -4.5413 -4.5413 -4.5413 -4.5076 -4.5076 -4.5076 -4.5076 -0.3406 -0.3406 -0.3406 -0.3406 2.5233 2.5233 2.5233 2.5233 3.7994 3.7994 3.7994 3.7994 4.7085 4.7085 4.7085 4.7085 7.3014 7.3014 7.3014 7.3014 8.5837 8.5837 8.5837 8.5837 k =-0.0400 0.0142 0.6527 ( 5324 PWs) bands (ev): -6.9191 -6.9191 -6.9191 -6.9191 -6.7260 -6.7260 -6.7260 -6.7260 -6.6188 -6.6188 -6.6188 -6.6188 -4.5705 -4.5705 -4.5705 -4.5705 -4.5413 -4.5413 -4.5413 -4.5413 -4.5078 -4.5078 -4.5078 -4.5078 -0.3464 -0.3464 -0.3464 -0.3464 2.5355 2.5355 2.5355 2.5355 3.7999 3.7999 3.7999 3.7999 4.7078 4.7078 4.7078 4.7078 7.3000 7.3000 7.3000 7.3000 8.5866 8.5866 8.5866 8.5866 k =-0.0600 0.0213 0.6527 ( 5320 PWs) bands (ev): -6.9179 -6.9179 -6.9179 -6.9179 -6.7259 -6.7259 -6.7259 -6.7259 -6.6196 -6.6196 -6.6196 -6.6196 -4.5705 -4.5705 -4.5705 -4.5705 -4.5413 -4.5413 -4.5413 -4.5413 -4.5081 -4.5081 -4.5081 -4.5081 -0.3559 -0.3559 -0.3558 -0.3558 2.5555 2.5555 2.5555 2.5555 3.8009 3.8009 3.8009 3.8009 4.7068 4.7068 4.7068 4.7068 7.2977 7.2977 7.2977 7.2977 8.5914 8.5914 8.5914 8.5914 k =-0.0800 0.0284 0.6527 ( 5328 PWs) bands (ev): -6.9162 -6.9162 -6.9162 -6.9162 -6.7258 -6.7258 -6.7258 -6.7258 -6.6206 -6.6206 -6.6206 -6.6206 -4.5706 -4.5706 -4.5706 -4.5706 -4.5413 -4.5413 -4.5413 -4.5413 -4.5086 -4.5086 -4.5086 -4.5086 -0.3687 -0.3687 -0.3687 -0.3687 2.5831 2.5831 2.5831 2.5831 3.8023 3.8023 3.8023 3.8023 4.7054 4.7054 4.7054 4.7054 7.2940 7.2940 7.2941 7.2941 8.5978 8.5978 8.5978 8.5978 k =-0.1000 0.0355 0.6527 ( 5326 PWs) bands (ev): -6.9142 -6.9142 -6.9142 -6.9142 -6.7258 -6.7258 -6.7258 -6.7258 -6.6219 -6.6219 -6.6219 -6.6219 -4.5707 -4.5707 -4.5707 -4.5707 -4.5414 -4.5414 -4.5414 -4.5414 -4.5091 -4.5091 -4.5091 -4.5091 -0.3847 -0.3847 -0.3847 -0.3847 2.6175 2.6175 2.6175 2.6175 3.8043 3.8043 3.8043 3.8043 4.7036 4.7036 4.7036 4.7036 7.2889 7.2889 7.2889 7.2889 8.6056 8.6056 8.6056 8.6056 k =-0.1200 0.0426 0.6527 ( 5338 PWs) bands (ev): -6.9117 -6.9117 -6.9117 -6.9117 -6.7257 -6.7257 -6.7257 -6.7257 -6.6235 -6.6235 -6.6235 -6.6235 -4.5709 -4.5709 -4.5709 -4.5709 -4.5414 -4.5414 -4.5414 -4.5414 -4.5098 -4.5098 -4.5098 -4.5098 -0.4033 -0.4033 -0.4033 -0.4033 2.6581 2.6581 2.6581 2.6581 3.8072 3.8072 3.8072 3.8072 4.7016 4.7016 4.7016 4.7016 7.2818 7.2818 7.2818 7.2818 8.6146 8.6146 8.6146 8.6146 k =-0.1400 0.0497 0.6527 ( 5336 PWs) bands (ev): -6.9087 -6.9087 -6.9087 -6.9087 -6.7255 -6.7255 -6.7255 -6.7255 -6.6254 -6.6254 -6.6254 -6.6254 -4.5710 -4.5710 -4.5710 -4.5710 -4.5415 -4.5415 -4.5415 -4.5415 -4.5106 -4.5106 -4.5106 -4.5106 -0.4241 -0.4241 -0.4241 -0.4241 2.7042 2.7042 2.7042 2.7042 3.8110 3.8110 3.8110 3.8110 4.6993 4.6993 4.6993 4.6993 7.2723 7.2723 7.2723 7.2723 8.6244 8.6244 8.6244 8.6244 k =-0.1600 0.0567 0.6527 ( 5336 PWs) bands (ev): -6.9055 -6.9055 -6.9055 -6.9055 -6.7254 -6.7254 -6.7254 -6.7254 -6.6275 -6.6275 -6.6275 -6.6275 -4.5712 -4.5712 -4.5712 -4.5712 -4.5415 -4.5415 -4.5415 -4.5415 -4.5115 -4.5115 -4.5115 -4.5115 -0.4466 -0.4466 -0.4466 -0.4466 2.7547 2.7547 2.7547 2.7547 3.8162 3.8162 3.8162 3.8162 4.6969 4.6969 4.6969 4.6969 7.2599 7.2599 7.2599 7.2599 8.6346 8.6346 8.6346 8.6346 k =-0.1800 0.0638 0.6527 ( 5340 PWs) bands (ev): -6.9019 -6.9019 -6.9019 -6.9019 -6.7252 -6.7252 -6.7252 -6.7252 -6.6299 -6.6299 -6.6299 -6.6299 -4.5714 -4.5714 -4.5714 -4.5714 -4.5416 -4.5416 -4.5416 -4.5416 -4.5124 -4.5124 -4.5124 -4.5124 -0.4704 -0.4704 -0.4704 -0.4704 2.8087 2.8087 2.8087 2.8087 3.8229 3.8229 3.8229 3.8229 4.6944 4.6944 4.6944 4.6944 7.2442 7.2442 7.2442 7.2442 8.6447 8.6447 8.6447 8.6447 k =-0.2000 0.0709 0.6527 ( 5352 PWs) bands (ev): -6.8980 -6.8980 -6.8980 -6.8980 -6.7250 -6.7250 -6.7250 -6.7250 -6.6325 -6.6325 -6.6325 -6.6325 -4.5716 -4.5716 -4.5716 -4.5716 -4.5417 -4.5417 -4.5417 -4.5417 -4.5133 -4.5133 -4.5133 -4.5133 -0.4950 -0.4950 -0.4949 -0.4949 2.8650 2.8650 2.8650 2.8650 3.8317 3.8317 3.8317 3.8317 4.6919 4.6919 4.6919 4.6919 7.2246 7.2246 7.2246 7.2246 8.6543 8.6543 8.6543 8.6543 k =-0.2200 0.0780 0.6527 ( 5348 PWs) bands (ev): -6.8938 -6.8938 -6.8938 -6.8938 -6.7248 -6.7248 -6.7248 -6.7248 -6.6353 -6.6353 -6.6353 -6.6353 -4.5719 -4.5719 -4.5719 -4.5719 -4.5418 -4.5418 -4.5418 -4.5418 -4.5143 -4.5143 -4.5143 -4.5143 -0.5199 -0.5199 -0.5199 -0.5199 2.9225 2.9225 2.9225 2.9225 3.8428 3.8428 3.8428 3.8428 4.6895 4.6895 4.6895 4.6895 7.2007 7.2007 7.2007 7.2007 8.6630 8.6630 8.6630 8.6630 k =-0.2400 0.0851 0.6527 ( 5360 PWs) bands (ev): -6.8895 -6.8895 -6.8895 -6.8895 -6.7245 -6.7245 -6.7245 -6.7245 -6.6383 -6.6383 -6.6383 -6.6383 -4.5721 -4.5721 -4.5721 -4.5721 -4.5420 -4.5420 -4.5420 -4.5420 -4.5153 -4.5153 -4.5153 -4.5153 -0.5448 -0.5448 -0.5448 -0.5448 2.9799 2.9799 2.9799 2.9799 3.8568 3.8568 3.8568 3.8568 4.6874 4.6874 4.6874 4.6874 7.1721 7.1721 7.1721 7.1721 8.6704 8.6704 8.6704 8.6704 k =-0.2600 0.0922 0.6527 ( 5356 PWs) bands (ev): -6.8850 -6.8850 -6.8850 -6.8850 -6.7242 -6.7242 -6.7242 -6.7242 -6.6415 -6.6415 -6.6415 -6.6415 -4.5724 -4.5724 -4.5724 -4.5724 -4.5421 -4.5421 -4.5421 -4.5421 -4.5163 -4.5163 -4.5163 -4.5163 -0.5692 -0.5692 -0.5692 -0.5692 3.0357 3.0357 3.0357 3.0357 3.8741 3.8741 3.8741 3.8741 4.6855 4.6855 4.6855 4.6855 7.1389 7.1389 7.1389 7.1389 8.6763 8.6763 8.6763 8.6763 k =-0.2800 0.0993 0.6527 ( 5358 PWs) bands (ev): -6.8805 -6.8805 -6.8805 -6.8805 -6.7239 -6.7239 -6.7239 -6.7239 -6.6448 -6.6448 -6.6448 -6.6448 -4.5727 -4.5727 -4.5727 -4.5727 -4.5422 -4.5422 -4.5422 -4.5422 -4.5172 -4.5172 -4.5172 -4.5172 -0.5929 -0.5929 -0.5929 -0.5929 3.0888 3.0888 3.0889 3.0889 3.8950 3.8950 3.8950 3.8950 4.6841 4.6841 4.6841 4.6841 7.1010 7.1010 7.1010 7.1010 8.6807 8.6807 8.6808 8.6808 k =-0.3000 0.1064 0.6527 ( 5360 PWs) bands (ev): -6.8759 -6.8759 -6.8759 -6.8759 -6.7235 -6.7235 -6.7235 -6.7235 -6.6481 -6.6481 -6.6481 -6.6481 -4.5729 -4.5729 -4.5729 -4.5729 -4.5424 -4.5424 -4.5424 -4.5424 -4.5182 -4.5182 -4.5182 -4.5182 -0.6154 -0.6154 -0.6154 -0.6154 3.1380 3.1380 3.1380 3.1380 3.9197 3.9197 3.9197 3.9197 4.6833 4.6833 4.6833 4.6833 7.0589 7.0589 7.0589 7.0589 8.6837 8.6837 8.6837 8.6837 k =-0.3200 0.1135 0.6527 ( 5362 PWs) bands (ev): -6.8714 -6.8714 -6.8714 -6.8714 -6.7231 -6.7231 -6.7231 -6.7231 -6.6515 -6.6515 -6.6515 -6.6515 -4.5732 -4.5732 -4.5732 -4.5732 -4.5425 -4.5425 -4.5425 -4.5425 -4.5190 -4.5190 -4.5190 -4.5190 -0.6366 -0.6366 -0.6366 -0.6366 3.1823 3.1823 3.1823 3.1823 3.9480 3.9480 3.9480 3.9480 4.6831 4.6831 4.6831 4.6831 7.0133 7.0133 7.0133 7.0133 8.6855 8.6855 8.6855 8.6855 k =-0.3400 0.1206 0.6527 ( 5368 PWs) bands (ev): -6.8671 -6.8671 -6.8671 -6.8671 -6.7227 -6.7227 -6.7227 -6.7227 -6.6549 -6.6549 -6.6549 -6.6549 -4.5735 -4.5735 -4.5735 -4.5735 -4.5427 -4.5427 -4.5427 -4.5427 -4.5198 -4.5198 -4.5198 -4.5198 -0.6562 -0.6562 -0.6562 -0.6562 3.2211 3.2211 3.2211 3.2211 3.9793 3.9793 3.9793 3.9793 4.6837 4.6837 4.6837 4.6837 6.9654 6.9654 6.9654 6.9654 8.6864 8.6864 8.6864 8.6864 k =-0.3600 0.1277 0.6527 ( 5356 PWs) bands (ev): -6.8629 -6.8629 -6.8629 -6.8629 -6.7222 -6.7222 -6.7222 -6.7222 -6.6582 -6.6582 -6.6582 -6.6582 -4.5738 -4.5738 -4.5738 -4.5738 -4.5429 -4.5429 -4.5429 -4.5429 -4.5205 -4.5205 -4.5205 -4.5205 -0.6739 -0.6739 -0.6739 -0.6739 3.2541 3.2541 3.2541 3.2541 4.0125 4.0125 4.0125 4.0125 4.6852 4.6852 4.6852 4.6852 6.9166 6.9166 6.9166 6.9166 8.6868 8.6868 8.6868 8.6868 k =-0.3800 0.1348 0.6527 ( 5356 PWs) bands (ev): -6.8591 -6.8591 -6.8591 -6.8591 -6.7216 -6.7216 -6.7216 -6.7216 -6.6614 -6.6614 -6.6614 -6.6614 -4.5740 -4.5740 -4.5740 -4.5740 -4.5430 -4.5430 -4.5430 -4.5430 -4.5211 -4.5211 -4.5211 -4.5211 -0.6896 -0.6896 -0.6896 -0.6896 3.2814 3.2814 3.2814 3.2814 4.0463 4.0463 4.0463 4.0463 4.6874 4.6874 4.6874 4.6874 6.8684 6.8684 6.8684 6.8684 8.6869 8.6869 8.6869 8.6869 k =-0.4000 0.1419 0.6527 ( 5368 PWs) bands (ev): -6.8557 -6.8557 -6.8557 -6.8557 -6.7211 -6.7211 -6.7211 -6.7211 -6.6643 -6.6643 -6.6643 -6.6643 -4.5743 -4.5743 -4.5743 -4.5743 -4.5432 -4.5432 -4.5432 -4.5432 -4.5216 -4.5216 -4.5216 -4.5216 -0.7032 -0.7032 -0.7032 -0.7032 3.3034 3.3034 3.3034 3.3034 4.0788 4.0788 4.0788 4.0788 4.6903 4.6903 4.6903 4.6903 6.8229 6.8229 6.8229 6.8229 8.6869 8.6869 8.6869 8.6869 k =-0.4200 0.1490 0.6527 ( 5368 PWs) bands (ev): -6.8527 -6.8527 -6.8527 -6.8527 -6.7206 -6.7206 -6.7206 -6.7206 -6.6669 -6.6669 -6.6669 -6.6669 -4.5744 -4.5744 -4.5744 -4.5744 -4.5433 -4.5433 -4.5433 -4.5433 -4.5221 -4.5221 -4.5221 -4.5221 -0.7144 -0.7144 -0.7144 -0.7144 3.3204 3.3204 3.3204 3.3204 4.1083 4.1083 4.1083 4.1083 4.6937 4.6937 4.6937 4.6937 6.7819 6.7819 6.7819 6.7819 8.6870 8.6870 8.6870 8.6870 k =-0.4400 0.1560 0.6527 ( 5352 PWs) bands (ev): -6.8503 -6.8503 -6.8503 -6.8503 -6.7201 -6.7201 -6.7201 -6.7201 -6.6690 -6.6690 -6.6690 -6.6690 -4.5746 -4.5746 -4.5746 -4.5746 -4.5434 -4.5434 -4.5434 -4.5434 -4.5224 -4.5224 -4.5224 -4.5224 -0.7233 -0.7233 -0.7233 -0.7233 3.3330 3.3330 3.3330 3.3330 4.1332 4.1332 4.1332 4.1332 4.6971 4.6971 4.6971 4.6971 6.7475 6.7475 6.7475 6.7475 8.6871 8.6871 8.6871 8.6871 k =-0.4600 0.1631 0.6527 ( 5344 PWs) bands (ev): -6.8486 -6.8486 -6.8486 -6.8486 -6.7198 -6.7198 -6.7198 -6.7198 -6.6706 -6.6706 -6.6706 -6.6706 -4.5747 -4.5747 -4.5747 -4.5747 -4.5435 -4.5435 -4.5435 -4.5435 -4.5226 -4.5226 -4.5226 -4.5226 -0.7296 -0.7296 -0.7296 -0.7296 3.3417 3.3417 3.3417 3.3417 4.1520 4.1520 4.1520 4.1520 4.7001 4.7001 4.7001 4.7001 6.7214 6.7214 6.7214 6.7214 8.6872 8.6872 8.6872 8.6872 k =-0.4800 0.1702 0.6527 ( 5340 PWs) bands (ev): -6.8475 -6.8475 -6.8475 -6.8475 -6.7195 -6.7195 -6.7195 -6.7195 -6.6716 -6.6716 -6.6716 -6.6716 -4.5748 -4.5748 -4.5748 -4.5748 -4.5435 -4.5435 -4.5435 -4.5435 -4.5228 -4.5228 -4.5228 -4.5228 -0.7335 -0.7335 -0.7335 -0.7335 3.3468 3.3468 3.3468 3.3468 4.1636 4.1636 4.1636 4.1636 4.7022 4.7022 4.7022 4.7022 6.7052 6.7052 6.7052 6.7052 8.6873 8.6873 8.6873 8.6873 k =-0.5000 0.1773 0.6527 ( 5352 PWs) bands (ev): -6.8471 -6.8471 -6.8471 -6.8471 -6.7194 -6.7194 -6.7194 -6.7194 -6.6720 -6.6720 -6.6720 -6.6720 -4.5748 -4.5748 -4.5748 -4.5748 -4.5436 -4.5436 -4.5436 -4.5436 -4.5228 -4.5228 -4.5228 -4.5228 -0.7348 -0.7348 -0.7348 -0.7348 3.3484 3.3484 3.3484 3.3484 4.1676 4.1676 4.1676 4.1676 4.7030 4.7030 4.7030 4.7030 6.6996 6.6996 6.6996 6.6996 8.6873 8.6873 8.6873 8.6873 Writing output data file TlI.save init_run : 0.25s CPU 0.38s WALL ( 1 calls) electrons : 173.87s CPU 175.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 173.86s CPU 175.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 346 calls) cegterg : 155.92s CPU 157.34s WALL ( 396 calls) Called by sum_band: Called by *egterg: h_psi : 113.63s CPU 114.91s WALL ( 6830 calls) s_psi : 4.75s CPU 4.67s WALL ( 6830 calls) g_psi : 0.26s CPU 0.24s WALL ( 6088 calls) cdiaghg : 35.64s CPU 36.12s WALL ( 6434 calls) cegterg:over : 5.34s CPU 5.45s WALL ( 6088 calls) cegterg:upda : 4.76s CPU 4.69s WALL ( 6088 calls) cegterg:last : 2.76s CPU 2.74s WALL ( 1088 calls) cdiaghg:chol : 2.07s CPU 2.07s WALL ( 6434 calls) cdiaghg:inve : 1.27s CPU 1.26s WALL ( 6434 calls) cdiaghg:para : 1.99s CPU 2.09s WALL ( 12868 calls) Called by h_psi: h_psi:vloc : 103.16s CPU 104.52s WALL ( 6830 calls) h_psi:vnl : 10.22s CPU 10.16s WALL ( 6830 calls) add_vuspsi : 5.39s CPU 5.34s WALL ( 6830 calls) General routines calbec : 4.80s CPU 4.80s WALL ( 6830 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 97.10s CPU 98.50s WALL ( 659332 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.30s WALL ( 692 calls) Parallel routines fft_scatter : 23.72s CPU 24.57s WALL ( 659355 calls) PWSCF : 3m12.55s CPU 3m31.88s WALL This run was terminated on: 11:25: 7 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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