Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 8:52 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: ./TlCl.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 46 38 11 1330 981 157 Max 47 39 12 1333 999 160 Sum 1689 1395 411 47971 35673 5703 bravais-lattice index = 14 lattice parameter (alat) = 12.3915 a.u. unit-cell volume = 846.8264 (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 = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.391506 celldm(2)= 1.000000 celldm(3)= 0.722858 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.787981 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.787981 0.615700 0.000000 ) a(3) = ( 0.000000 0.000000 0.722858 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.279813 -0.000000 ) b(2) = ( 0.000000 1.624168 -0.000000 ) b(3) = ( 0.000000 0.000000 1.383397 ) 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 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) Cl 7.00 35.45300 Cl( 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= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0066582 0.0193353 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0133164 0.0386707 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0199747 0.0580060 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0266329 0.0773413 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0332911 0.0966767 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0399493 0.1160120 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0466075 0.1353473 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0532657 0.1546827 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0599239 0.1740180 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0665822 0.1933533 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0732404 0.2126887 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0798986 0.2320240 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0865568 0.2513594 -0.0000000), wk = 0.0026455 k( 15) = ( 0.0932150 0.2706947 -0.0000000), wk = 0.0026455 k( 16) = ( 0.0998732 0.2900300 -0.0000000), wk = 0.0026455 k( 17) = ( 0.1065314 0.3093653 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1131897 0.3287007 -0.0000000), wk = 0.0026455 k( 19) = ( 0.1198479 0.3480360 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1265061 0.3673713 -0.0000000), wk = 0.0026455 k( 21) = ( 0.1331643 0.3867067 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1398225 0.4060420 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1464807 0.4253774 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1531390 0.4447127 -0.0000000), wk = 0.0026455 k( 25) = ( 0.1597972 0.4640480 -0.0000000), wk = 0.0026455 k( 26) = ( 0.1664554 0.4833834 -0.0000000), wk = 0.0026455 k( 27) = ( 0.1731136 0.5027187 -0.0000000), wk = 0.0026455 k( 28) = ( 0.1797718 0.5220540 -0.0000000), wk = 0.0026455 k( 29) = ( 0.1864300 0.5413893 -0.0000000), wk = 0.0026455 k( 30) = ( 0.1930883 0.5607247 -0.0000000), wk = 0.0026455 k( 31) = ( 0.1997465 0.5800600 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2064047 0.5993954 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2130629 0.6187307 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2197211 0.6380660 -0.0000000), wk = 0.0026455 k( 35) = ( 0.2263793 0.6574014 -0.0000000), wk = 0.0026455 k( 36) = ( 0.2330376 0.6767367 -0.0000000), wk = 0.0026455 k( 37) = ( 0.2396958 0.6960720 -0.0000000), wk = 0.0026455 k( 38) = ( 0.2463540 0.7154073 -0.0000000), wk = 0.0026455 k( 39) = ( 0.2530122 0.7347427 -0.0000000), wk = 0.0026455 k( 40) = ( 0.2596704 0.7540780 -0.0000000), wk = 0.0026455 k( 41) = ( 0.2663286 0.7734134 -0.0000000), wk = 0.0026455 k( 42) = ( 0.2729869 0.7927487 -0.0000000), wk = 0.0026455 k( 43) = ( 0.2796451 0.8120840 -0.0000000), wk = 0.0026455 k( 44) = ( 0.2796451 0.8120840 -0.0000000), wk = 0.0026455 k( 45) = ( 0.2596704 0.8120840 -0.0000000), wk = 0.0026455 k( 46) = ( 0.2396958 0.8120840 -0.0000000), wk = 0.0026455 k( 47) = ( 0.2197211 0.8120840 -0.0000000), wk = 0.0026455 k( 48) = ( 0.1997465 0.8120840 -0.0000000), wk = 0.0026455 k( 49) = ( 0.1797718 0.8120840 -0.0000000), wk = 0.0026455 k( 50) = ( 0.1597972 0.8120840 -0.0000000), wk = 0.0026455 k( 51) = ( 0.1398225 0.8120840 -0.0000000), wk = 0.0026455 k( 52) = ( 0.1198479 0.8120840 -0.0000000), wk = 0.0026455 k( 53) = ( 0.0998732 0.8120840 -0.0000000), wk = 0.0026455 k( 54) = ( 0.0798986 0.8120840 -0.0000000), wk = 0.0026455 k( 55) = ( 0.0599239 0.8120840 -0.0000000), wk = 0.0026455 k( 56) = ( 0.0399493 0.8120840 -0.0000000), wk = 0.0026455 k( 57) = ( 0.0199747 0.8120840 -0.0000000), wk = 0.0026455 k( 58) = ( 0.0000000 0.8120840 -0.0000000), wk = 0.0026455 k( 59) = ( 0.0000000 0.8120840 -0.0000000), wk = 0.0026455 k( 60) = ( 0.0000000 0.8120840 0.0203441), wk = 0.0026455 k( 61) = ( 0.0000000 0.8120840 0.0406881), wk = 0.0026455 k( 62) = ( 0.0000000 0.8120840 0.0610322), wk = 0.0026455 k( 63) = ( 0.0000000 0.8120840 0.0813763), wk = 0.0026455 k( 64) = ( 0.0000000 0.8120840 0.1017204), wk = 0.0026455 k( 65) = ( 0.0000000 0.8120840 0.1220645), wk = 0.0026455 k( 66) = ( 0.0000000 0.8120840 0.1424086), wk = 0.0026455 k( 67) = ( 0.0000000 0.8120840 0.1627526), wk = 0.0026455 k( 68) = ( 0.0000000 0.8120840 0.1830967), wk = 0.0026455 k( 69) = ( 0.0000000 0.8120840 0.2034408), wk = 0.0026455 k( 70) = ( 0.0000000 0.8120840 0.2237849), wk = 0.0026455 k( 71) = ( 0.0000000 0.8120840 0.2441289), wk = 0.0026455 k( 72) = ( 0.0000000 0.8120840 0.2644730), wk = 0.0026455 k( 73) = ( 0.0000000 0.8120840 0.2848171), wk = 0.0026455 k( 74) = ( 0.0000000 0.8120840 0.3051612), wk = 0.0026455 k( 75) = ( 0.0000000 0.8120840 0.3255052), wk = 0.0026455 k( 76) = ( 0.0000000 0.8120840 0.3458493), wk = 0.0026455 k( 77) = ( 0.0000000 0.8120840 0.3661934), wk = 0.0026455 k( 78) = ( 0.0000000 0.8120840 0.3865375), wk = 0.0026455 k( 79) = ( 0.0000000 0.8120840 0.4068816), wk = 0.0026455 k( 80) = ( 0.0000000 0.8120840 0.4272256), wk = 0.0026455 k( 81) = ( 0.0000000 0.8120840 0.4475697), wk = 0.0026455 k( 82) = ( 0.0000000 0.8120840 0.4679138), wk = 0.0026455 k( 83) = ( 0.0000000 0.8120840 0.4882579), wk = 0.0026455 k( 84) = ( 0.0000000 0.8120840 0.5086019), wk = 0.0026455 k( 85) = ( 0.0000000 0.8120840 0.5289460), wk = 0.0026455 k( 86) = ( 0.0000000 0.8120840 0.5492901), wk = 0.0026455 k( 87) = ( 0.0000000 0.8120840 0.5696342), wk = 0.0026455 k( 88) = ( 0.0000000 0.8120840 0.5899783), wk = 0.0026455 k( 89) = ( 0.0000000 0.8120840 0.6103223), wk = 0.0026455 k( 90) = ( 0.0000000 0.8120840 0.6306664), wk = 0.0026455 k( 91) = ( 0.0000000 0.8120840 0.6510105), wk = 0.0026455 k( 92) = ( 0.0000000 0.8120840 0.6713546), wk = 0.0026455 k( 93) = ( 0.0000000 0.8120840 0.6916986), wk = 0.0026455 k( 94) = ( 0.0000000 0.8120840 0.6916986), wk = 0.0026455 k( 95) = ( 0.0199747 0.8120840 0.6916986), wk = 0.0026455 k( 96) = ( 0.0399493 0.8120840 0.6916986), wk = 0.0026455 k( 97) = ( 0.0599239 0.8120840 0.6916986), wk = 0.0026455 k( 98) = ( 0.0798986 0.8120840 0.6916986), wk = 0.0026455 k( 99) = ( 0.0998732 0.8120840 0.6916986), wk = 0.0026455 k( 100) = ( 0.1198479 0.8120840 0.6916986), wk = 0.0026455 k( 101) = ( 0.1398225 0.8120840 0.6916986), wk = 0.0026455 k( 102) = ( 0.1597972 0.8120840 0.6916986), wk = 0.0026455 k( 103) = ( 0.1797718 0.8120840 0.6916986), wk = 0.0026455 k( 104) = ( 0.1997465 0.8120840 0.6916986), wk = 0.0026455 k( 105) = ( 0.2197211 0.8120840 0.6916986), wk = 0.0026455 k( 106) = ( 0.2396958 0.8120840 0.6916986), wk = 0.0026455 k( 107) = ( 0.2596704 0.8120840 0.6916986), wk = 0.0026455 k( 108) = ( 0.2796451 0.8120840 0.6916986), wk = 0.0026455 k( 109) = ( 0.2796451 0.8120840 0.6916986), wk = 0.0026455 k( 110) = ( 0.2729869 0.7927487 0.6916986), wk = 0.0026455 k( 111) = ( 0.2663286 0.7734134 0.6916986), wk = 0.0026455 k( 112) = ( 0.2596704 0.7540780 0.6916986), wk = 0.0026455 k( 113) = ( 0.2530122 0.7347427 0.6916986), wk = 0.0026455 k( 114) = ( 0.2463540 0.7154073 0.6916986), wk = 0.0026455 k( 115) = ( 0.2396958 0.6960720 0.6916986), wk = 0.0026455 k( 116) = ( 0.2330376 0.6767367 0.6916986), wk = 0.0026455 k( 117) = ( 0.2263793 0.6574014 0.6916986), wk = 0.0026455 k( 118) = ( 0.2197211 0.6380660 0.6916986), wk = 0.0026455 k( 119) = ( 0.2130629 0.6187307 0.6916986), wk = 0.0026455 k( 120) = ( 0.2064047 0.5993954 0.6916986), wk = 0.0026455 k( 121) = ( 0.1997465 0.5800600 0.6916986), wk = 0.0026455 k( 122) = ( 0.1930883 0.5607247 0.6916986), wk = 0.0026455 k( 123) = ( 0.1864300 0.5413893 0.6916986), wk = 0.0026455 k( 124) = ( 0.1797718 0.5220540 0.6916986), wk = 0.0026455 k( 125) = ( 0.1731136 0.5027187 0.6916986), wk = 0.0026455 k( 126) = ( 0.1664554 0.4833834 0.6916986), wk = 0.0026455 k( 127) = ( 0.1597972 0.4640480 0.6916986), wk = 0.0026455 k( 128) = ( 0.1531390 0.4447127 0.6916986), wk = 0.0026455 k( 129) = ( 0.1464807 0.4253774 0.6916986), wk = 0.0026455 k( 130) = ( 0.1398225 0.4060420 0.6916986), wk = 0.0026455 k( 131) = ( 0.1331643 0.3867067 0.6916986), wk = 0.0026455 k( 132) = ( 0.1265061 0.3673713 0.6916986), wk = 0.0026455 k( 133) = ( 0.1198479 0.3480360 0.6916986), wk = 0.0026455 k( 134) = ( 0.1131897 0.3287007 0.6916986), wk = 0.0026455 k( 135) = ( 0.1065314 0.3093653 0.6916986), wk = 0.0026455 k( 136) = ( 0.0998732 0.2900300 0.6916986), wk = 0.0026455 k( 137) = ( 0.0932150 0.2706947 0.6916986), wk = 0.0026455 k( 138) = ( 0.0865568 0.2513594 0.6916986), wk = 0.0026455 k( 139) = ( 0.0798986 0.2320240 0.6916986), wk = 0.0026455 k( 140) = ( 0.0732404 0.2126887 0.6916986), wk = 0.0026455 k( 141) = ( 0.0665822 0.1933533 0.6916986), wk = 0.0026455 k( 142) = ( 0.0599239 0.1740180 0.6916986), wk = 0.0026455 k( 143) = ( 0.0532657 0.1546827 0.6916986), wk = 0.0026455 k( 144) = ( 0.0466075 0.1353473 0.6916986), wk = 0.0026455 k( 145) = ( 0.0399493 0.1160120 0.6916986), wk = 0.0026455 k( 146) = ( 0.0332911 0.0966767 0.6916986), wk = 0.0026455 k( 147) = ( 0.0266329 0.0773413 0.6916986), wk = 0.0026455 k( 148) = ( 0.0199747 0.0580060 0.6916986), wk = 0.0026455 k( 149) = ( 0.0133164 0.0386707 0.6916986), wk = 0.0026455 k( 150) = ( 0.0066582 0.0193353 0.6916986), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.6916986), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.6916986), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.6713546), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.6510105), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.6306664), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.6103223), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.5899783), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.5696342), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.5492901), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.5289460), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.5086019), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.4882579), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.4679138), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.4475697), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.4272256), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.4068816), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.3865375), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.3661934), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.3458493), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.3255052), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.3051612), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.2848171), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.2644730), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.2441289), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.2237849), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.2034408), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.1830967), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.1627526), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.1424086), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.1220645), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.1017204), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.0813763), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.0610322), wk = 0.0026455 k( 184) = ( 0.0000000 0.0000000 0.0406881), wk = 0.0026455 k( 185) = ( 0.0000000 0.0000000 0.0203441), wk = 0.0026455 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 188) = ( -0.0192308 0.0066222 -0.0000000), wk = 0.0026455 k( 189) = ( -0.0384615 0.0132444 -0.0000000), wk = 0.0026455 k( 190) = ( -0.0576923 0.0198666 -0.0000000), wk = 0.0026455 k( 191) = ( -0.0769231 0.0264888 -0.0000000), wk = 0.0026455 k( 192) = ( -0.0961538 0.0331110 -0.0000000), wk = 0.0026455 k( 193) = ( -0.1153846 0.0397333 -0.0000000), wk = 0.0026455 k( 194) = ( -0.1346154 0.0463555 -0.0000000), wk = 0.0026455 k( 195) = ( -0.1538461 0.0529777 -0.0000000), wk = 0.0026455 k( 196) = ( -0.1730769 0.0595999 -0.0000000), wk = 0.0026455 k( 197) = ( -0.1923077 0.0662221 -0.0000000), wk = 0.0026455 k( 198) = ( -0.2115385 0.0728443 -0.0000000), wk = 0.0026455 k( 199) = ( -0.2307692 0.0794665 -0.0000000), wk = 0.0026455 k( 200) = ( -0.2500000 0.0860887 -0.0000000), wk = 0.0026455 k( 201) = ( -0.2692308 0.0927109 -0.0000000), wk = 0.0026455 k( 202) = ( -0.2884615 0.0993331 -0.0000000), wk = 0.0026455 k( 203) = ( -0.3076923 0.1059553 -0.0000000), wk = 0.0026455 k( 204) = ( -0.3269231 0.1125775 -0.0000000), wk = 0.0026455 k( 205) = ( -0.3461538 0.1191998 -0.0000000), wk = 0.0026455 k( 206) = ( -0.3653846 0.1258220 -0.0000000), wk = 0.0026455 k( 207) = ( -0.3846154 0.1324442 -0.0000000), wk = 0.0026455 k( 208) = ( -0.4038462 0.1390664 -0.0000000), wk = 0.0026455 k( 209) = ( -0.4230769 0.1456886 -0.0000000), wk = 0.0026455 k( 210) = ( -0.4423077 0.1523108 -0.0000000), wk = 0.0026455 k( 211) = ( -0.4615385 0.1589330 -0.0000000), wk = 0.0026455 k( 212) = ( -0.4807692 0.1655552 -0.0000000), wk = 0.0026455 k( 213) = ( -0.5000000 0.1721774 -0.0000000), wk = 0.0026455 k( 214) = ( -0.5000000 0.1721774 -0.0000000), wk = 0.0026455 k( 215) = ( -0.4933226 0.1915685 -0.0000000), wk = 0.0026455 k( 216) = ( -0.4866452 0.2109596 -0.0000000), wk = 0.0026455 k( 217) = ( -0.4799677 0.2303508 -0.0000000), wk = 0.0026455 k( 218) = ( -0.4732903 0.2497419 -0.0000000), wk = 0.0026455 k( 219) = ( -0.4666129 0.2691330 -0.0000000), wk = 0.0026455 k( 220) = ( -0.4599355 0.2885241 -0.0000000), wk = 0.0026455 k( 221) = ( -0.4532580 0.3079152 -0.0000000), wk = 0.0026455 k( 222) = ( -0.4465806 0.3273063 -0.0000000), wk = 0.0026455 k( 223) = ( -0.4399032 0.3466974 -0.0000000), wk = 0.0026455 k( 224) = ( -0.4332258 0.3660885 -0.0000000), wk = 0.0026455 k( 225) = ( -0.4265484 0.3854796 -0.0000000), wk = 0.0026455 k( 226) = ( -0.4198709 0.4048707 -0.0000000), wk = 0.0026455 k( 227) = ( -0.4131935 0.4242618 -0.0000000), wk = 0.0026455 k( 228) = ( -0.4065161 0.4436529 -0.0000000), wk = 0.0026455 k( 229) = ( -0.3998387 0.4630440 -0.0000000), wk = 0.0026455 k( 230) = ( -0.3931612 0.4824352 -0.0000000), wk = 0.0026455 k( 231) = ( -0.3864838 0.5018263 -0.0000000), wk = 0.0026455 k( 232) = ( -0.3798064 0.5212174 -0.0000000), wk = 0.0026455 k( 233) = ( -0.3731290 0.5406085 -0.0000000), wk = 0.0026455 k( 234) = ( -0.3664516 0.5599996 -0.0000000), wk = 0.0026455 k( 235) = ( -0.3597741 0.5793907 -0.0000000), wk = 0.0026455 k( 236) = ( -0.3530967 0.5987818 -0.0000000), wk = 0.0026455 k( 237) = ( -0.3464193 0.6181729 -0.0000000), wk = 0.0026455 k( 238) = ( -0.3397419 0.6375641 -0.0000000), wk = 0.0026455 k( 239) = ( -0.3330644 0.6569552 -0.0000000), wk = 0.0026455 k( 240) = ( -0.3263870 0.6763463 -0.0000000), wk = 0.0026455 k( 241) = ( -0.3197096 0.6957374 -0.0000000), wk = 0.0026455 k( 242) = ( -0.3130322 0.7151285 -0.0000000), wk = 0.0026455 k( 243) = ( -0.3063548 0.7345196 -0.0000000), wk = 0.0026455 k( 244) = ( -0.2996773 0.7539107 -0.0000000), wk = 0.0026455 k( 245) = ( -0.2929999 0.7733018 -0.0000000), wk = 0.0026455 k( 246) = ( -0.2863225 0.7926929 -0.0000000), wk = 0.0026455 k( 247) = ( -0.2796451 0.8120840 -0.0000000), wk = 0.0026455 k( 248) = ( -0.2796451 0.8120840 -0.0000000), wk = 0.0026455 k( 249) = ( -0.2796451 0.8120840 0.0203441), wk = 0.0026455 k( 250) = ( -0.2796451 0.8120840 0.0406881), wk = 0.0026455 k( 251) = ( -0.2796451 0.8120840 0.0610322), wk = 0.0026455 k( 252) = ( -0.2796451 0.8120840 0.0813763), wk = 0.0026455 k( 253) = ( -0.2796451 0.8120840 0.1017204), wk = 0.0026455 k( 254) = ( -0.2796451 0.8120840 0.1220645), wk = 0.0026455 k( 255) = ( -0.2796451 0.8120840 0.1424086), wk = 0.0026455 k( 256) = ( -0.2796451 0.8120840 0.1627526), wk = 0.0026455 k( 257) = ( -0.2796451 0.8120840 0.1830967), wk = 0.0026455 k( 258) = ( -0.2796451 0.8120840 0.2034408), wk = 0.0026455 k( 259) = ( -0.2796451 0.8120840 0.2237849), wk = 0.0026455 k( 260) = ( -0.2796451 0.8120840 0.2441289), wk = 0.0026455 k( 261) = ( -0.2796451 0.8120840 0.2644730), wk = 0.0026455 k( 262) = ( -0.2796451 0.8120840 0.2848171), wk = 0.0026455 k( 263) = ( -0.2796451 0.8120840 0.3051612), wk = 0.0026455 k( 264) = ( -0.2796451 0.8120840 0.3255052), wk = 0.0026455 k( 265) = ( -0.2796451 0.8120840 0.3458493), wk = 0.0026455 k( 266) = ( -0.2796451 0.8120840 0.3661934), wk = 0.0026455 k( 267) = ( -0.2796451 0.8120840 0.3865375), wk = 0.0026455 k( 268) = ( -0.2796451 0.8120840 0.4068816), wk = 0.0026455 k( 269) = ( -0.2796451 0.8120840 0.4272256), wk = 0.0026455 k( 270) = ( -0.2796451 0.8120840 0.4475697), wk = 0.0026455 k( 271) = ( -0.2796451 0.8120840 0.4679138), wk = 0.0026455 k( 272) = ( -0.2796451 0.8120840 0.4882579), wk = 0.0026455 k( 273) = ( -0.2796451 0.8120840 0.5086019), wk = 0.0026455 k( 274) = ( -0.2796451 0.8120840 0.5289460), wk = 0.0026455 k( 275) = ( -0.2796451 0.8120840 0.5492901), wk = 0.0026455 k( 276) = ( -0.2796451 0.8120840 0.5696342), wk = 0.0026455 k( 277) = ( -0.2796451 0.8120840 0.5899783), wk = 0.0026455 k( 278) = ( -0.2796451 0.8120840 0.6103223), wk = 0.0026455 k( 279) = ( -0.2796451 0.8120840 0.6306664), wk = 0.0026455 k( 280) = ( -0.2796451 0.8120840 0.6510105), wk = 0.0026455 k( 281) = ( -0.2796451 0.8120840 0.6713546), wk = 0.0026455 k( 282) = ( -0.2796451 0.8120840 0.6916986), wk = 0.0026455 k( 283) = ( -0.2796451 0.8120840 0.6916986), wk = 0.0026455 k( 284) = ( -0.2863225 0.7926929 0.6916986), wk = 0.0026455 k( 285) = ( -0.2929999 0.7733018 0.6916986), wk = 0.0026455 k( 286) = ( -0.2996773 0.7539107 0.6916986), wk = 0.0026455 k( 287) = ( -0.3063548 0.7345196 0.6916986), wk = 0.0026455 k( 288) = ( -0.3130322 0.7151285 0.6916986), wk = 0.0026455 k( 289) = ( -0.3197096 0.6957374 0.6916986), wk = 0.0026455 k( 290) = ( -0.3263870 0.6763463 0.6916986), wk = 0.0026455 k( 291) = ( -0.3330644 0.6569552 0.6916986), wk = 0.0026455 k( 292) = ( -0.3397419 0.6375641 0.6916986), wk = 0.0026455 k( 293) = ( -0.3464193 0.6181729 0.6916986), wk = 0.0026455 k( 294) = ( -0.3530967 0.5987818 0.6916986), wk = 0.0026455 k( 295) = ( -0.3597741 0.5793907 0.6916986), wk = 0.0026455 k( 296) = ( -0.3664516 0.5599996 0.6916986), wk = 0.0026455 k( 297) = ( -0.3731290 0.5406085 0.6916986), wk = 0.0026455 k( 298) = ( -0.3798064 0.5212174 0.6916986), wk = 0.0026455 k( 299) = ( -0.3864838 0.5018263 0.6916986), wk = 0.0026455 k( 300) = ( -0.3931612 0.4824352 0.6916986), wk = 0.0026455 k( 301) = ( -0.3998387 0.4630440 0.6916986), wk = 0.0026455 k( 302) = ( -0.4065161 0.4436529 0.6916986), wk = 0.0026455 k( 303) = ( -0.4131935 0.4242618 0.6916986), wk = 0.0026455 k( 304) = ( -0.4198709 0.4048707 0.6916986), wk = 0.0026455 k( 305) = ( -0.4265484 0.3854796 0.6916986), wk = 0.0026455 k( 306) = ( -0.4332258 0.3660885 0.6916986), wk = 0.0026455 k( 307) = ( -0.4399032 0.3466974 0.6916986), wk = 0.0026455 k( 308) = ( -0.4465806 0.3273063 0.6916986), wk = 0.0026455 k( 309) = ( -0.4532580 0.3079152 0.6916986), wk = 0.0026455 k( 310) = ( -0.4599355 0.2885241 0.6916986), wk = 0.0026455 k( 311) = ( -0.4666129 0.2691330 0.6916986), wk = 0.0026455 k( 312) = ( -0.4732903 0.2497419 0.6916986), wk = 0.0026455 k( 313) = ( -0.4799677 0.2303508 0.6916986), wk = 0.0026455 k( 314) = ( -0.4866452 0.2109596 0.6916986), wk = 0.0026455 k( 315) = ( -0.4933226 0.1915685 0.6916986), wk = 0.0026455 k( 316) = ( -0.5000000 0.1721774 0.6916986), wk = 0.0026455 k( 317) = ( -0.5000000 0.1721774 0.6916986), wk = 0.0026455 k( 318) = ( -0.5000000 0.1721774 0.6713546), wk = 0.0026455 k( 319) = ( -0.5000000 0.1721774 0.6510105), wk = 0.0026455 k( 320) = ( -0.5000000 0.1721774 0.6306664), wk = 0.0026455 k( 321) = ( -0.5000000 0.1721774 0.6103223), wk = 0.0026455 k( 322) = ( -0.5000000 0.1721774 0.5899783), wk = 0.0026455 k( 323) = ( -0.5000000 0.1721774 0.5696342), wk = 0.0026455 k( 324) = ( -0.5000000 0.1721774 0.5492901), wk = 0.0026455 k( 325) = ( -0.5000000 0.1721774 0.5289460), wk = 0.0026455 k( 326) = ( -0.5000000 0.1721774 0.5086019), wk = 0.0026455 k( 327) = ( -0.5000000 0.1721774 0.4882579), wk = 0.0026455 k( 328) = ( -0.5000000 0.1721774 0.4679138), wk = 0.0026455 k( 329) = ( -0.5000000 0.1721774 0.4475697), wk = 0.0026455 k( 330) = ( -0.5000000 0.1721774 0.4272256), wk = 0.0026455 k( 331) = ( -0.5000000 0.1721774 0.4068816), wk = 0.0026455 k( 332) = ( -0.5000000 0.1721774 0.3865375), wk = 0.0026455 k( 333) = ( -0.5000000 0.1721774 0.3661934), wk = 0.0026455 k( 334) = ( -0.5000000 0.1721774 0.3458493), wk = 0.0026455 k( 335) = ( -0.5000000 0.1721774 0.3255052), wk = 0.0026455 k( 336) = ( -0.5000000 0.1721774 0.3051612), wk = 0.0026455 k( 337) = ( -0.5000000 0.1721774 0.2848171), wk = 0.0026455 k( 338) = ( -0.5000000 0.1721774 0.2644730), wk = 0.0026455 k( 339) = ( -0.5000000 0.1721774 0.2441289), wk = 0.0026455 k( 340) = ( -0.5000000 0.1721774 0.2237849), wk = 0.0026455 k( 341) = ( -0.5000000 0.1721774 0.2034408), wk = 0.0026455 k( 342) = ( -0.5000000 0.1721774 0.1830967), wk = 0.0026455 k( 343) = ( -0.5000000 0.1721774 0.1627526), wk = 0.0026455 k( 344) = ( -0.5000000 0.1721774 0.1424086), wk = 0.0026455 k( 345) = ( -0.5000000 0.1721774 0.1220645), wk = 0.0026455 k( 346) = ( -0.5000000 0.1721774 0.1017204), wk = 0.0026455 k( 347) = ( -0.5000000 0.1721774 0.0813763), wk = 0.0026455 k( 348) = ( -0.5000000 0.1721774 0.0610322), wk = 0.0026455 k( 349) = ( -0.5000000 0.1721774 0.0406881), wk = 0.0026455 k( 350) = ( -0.5000000 0.1721774 0.0203441), wk = 0.0026455 k( 351) = ( -0.5000000 0.1721774 -0.0000000), wk = 0.0026455 k( 352) = ( 0.0000000 0.0000000 0.6916986), wk = 0.0026455 k( 353) = ( -0.0192308 0.0066222 0.6916986), wk = 0.0026455 k( 354) = ( -0.0384615 0.0132444 0.6916986), wk = 0.0026455 k( 355) = ( -0.0576923 0.0198666 0.6916986), wk = 0.0026455 k( 356) = ( -0.0769231 0.0264888 0.6916986), wk = 0.0026455 k( 357) = ( -0.0961538 0.0331110 0.6916986), wk = 0.0026455 k( 358) = ( -0.1153846 0.0397333 0.6916986), wk = 0.0026455 k( 359) = ( -0.1346154 0.0463555 0.6916986), wk = 0.0026455 k( 360) = ( -0.1538461 0.0529777 0.6916986), wk = 0.0026455 k( 361) = ( -0.1730769 0.0595999 0.6916986), wk = 0.0026455 k( 362) = ( -0.1923077 0.0662221 0.6916986), wk = 0.0026455 k( 363) = ( -0.2115385 0.0728443 0.6916986), wk = 0.0026455 k( 364) = ( -0.2307692 0.0794665 0.6916986), wk = 0.0026455 k( 365) = ( -0.2500000 0.0860887 0.6916986), wk = 0.0026455 k( 366) = ( -0.2692308 0.0927109 0.6916986), wk = 0.0026455 k( 367) = ( -0.2884615 0.0993331 0.6916986), wk = 0.0026455 k( 368) = ( -0.3076923 0.1059553 0.6916986), wk = 0.0026455 k( 369) = ( -0.3269231 0.1125775 0.6916986), wk = 0.0026455 k( 370) = ( -0.3461538 0.1191998 0.6916986), wk = 0.0026455 k( 371) = ( -0.3653846 0.1258220 0.6916986), wk = 0.0026455 k( 372) = ( -0.3846154 0.1324442 0.6916986), wk = 0.0026455 k( 373) = ( -0.4038462 0.1390664 0.6916986), wk = 0.0026455 k( 374) = ( -0.4230769 0.1456886 0.6916986), wk = 0.0026455 k( 375) = ( -0.4423077 0.1523108 0.6916986), wk = 0.0026455 k( 376) = ( -0.4615385 0.1589330 0.6916986), wk = 0.0026455 k( 377) = ( -0.4807692 0.1655552 0.6916986), wk = 0.0026455 k( 378) = ( -0.5000000 0.1721774 0.6916986), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0066582 0.0066582 0.0000000), wk = 0.0026455 k( 3) = ( 0.0133164 0.0133164 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0199747 0.0199747 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0266329 0.0266329 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0332911 0.0332911 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0399493 0.0399493 0.0000000), wk = 0.0026455 k( 8) = ( 0.0466075 0.0466075 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0532657 0.0532657 0.0000000), wk = 0.0026455 k( 10) = ( 0.0599239 0.0599239 0.0000000), wk = 0.0026455 k( 11) = ( 0.0665822 0.0665822 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0732404 0.0732404 0.0000000), wk = 0.0026455 k( 13) = ( 0.0798986 0.0798986 0.0000000), wk = 0.0026455 k( 14) = ( 0.0865568 0.0865568 0.0000000), wk = 0.0026455 k( 15) = ( 0.0932150 0.0932150 -0.0000000), wk = 0.0026455 k( 16) = ( 0.0998732 0.0998732 0.0000000), wk = 0.0026455 k( 17) = ( 0.1065314 0.1065315 0.0000000), wk = 0.0026455 k( 18) = ( 0.1131897 0.1131897 0.0000000), wk = 0.0026455 k( 19) = ( 0.1198479 0.1198479 0.0000000), wk = 0.0026455 k( 20) = ( 0.1265061 0.1265061 -0.0000000), wk = 0.0026455 k( 21) = ( 0.1331643 0.1331643 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1398225 0.1398225 0.0000000), wk = 0.0026455 k( 23) = ( 0.1464807 0.1464807 0.0000000), wk = 0.0026455 k( 24) = ( 0.1531390 0.1531390 0.0000000), wk = 0.0026455 k( 25) = ( 0.1597972 0.1597972 0.0000000), wk = 0.0026455 k( 26) = ( 0.1664554 0.1664554 0.0000000), wk = 0.0026455 k( 27) = ( 0.1731136 0.1731136 0.0000000), wk = 0.0026455 k( 28) = ( 0.1797718 0.1797718 0.0000000), wk = 0.0026455 k( 29) = ( 0.1864300 0.1864300 -0.0000000), wk = 0.0026455 k( 30) = ( 0.1930883 0.1930883 -0.0000000), wk = 0.0026455 k( 31) = ( 0.1997465 0.1997465 0.0000000), wk = 0.0026455 k( 32) = ( 0.2064047 0.2064047 0.0000000), wk = 0.0026455 k( 33) = ( 0.2130629 0.2130629 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2197211 0.2197211 0.0000000), wk = 0.0026455 k( 35) = ( 0.2263793 0.2263793 0.0000000), wk = 0.0026455 k( 36) = ( 0.2330376 0.2330376 0.0000000), wk = 0.0026455 k( 37) = ( 0.2396958 0.2396958 0.0000000), wk = 0.0026455 k( 38) = ( 0.2463540 0.2463540 -0.0000000), wk = 0.0026455 k( 39) = ( 0.2530122 0.2530122 -0.0000000), wk = 0.0026455 k( 40) = ( 0.2596704 0.2596704 0.0000000), wk = 0.0026455 k( 41) = ( 0.2663286 0.2663286 0.0000000), wk = 0.0026455 k( 42) = ( 0.2729869 0.2729869 0.0000000), wk = 0.0026455 k( 43) = ( 0.2796451 0.2796451 0.0000000), wk = 0.0026455 k( 44) = ( 0.2796451 0.2796451 0.0000000), wk = 0.0026455 k( 45) = ( 0.2596704 0.2953847 0.0000000), wk = 0.0026455 k( 46) = ( 0.2396958 0.3111243 0.0000000), wk = 0.0026455 k( 47) = ( 0.2197211 0.3268640 -0.0000000), wk = 0.0026455 k( 48) = ( 0.1997465 0.3426036 0.0000000), wk = 0.0026455 k( 49) = ( 0.1797718 0.3583433 -0.0000000), wk = 0.0026455 k( 50) = ( 0.1597972 0.3740829 -0.0000000), wk = 0.0026455 k( 51) = ( 0.1398225 0.3898225 0.0000000), wk = 0.0026455 k( 52) = ( 0.1198479 0.4055622 -0.0000000), wk = 0.0026455 k( 53) = ( 0.0998732 0.4213018 0.0000000), wk = 0.0026455 k( 54) = ( 0.0798986 0.4370414 0.0000000), wk = 0.0026455 k( 55) = ( 0.0599239 0.4527811 0.0000000), wk = 0.0026455 k( 56) = ( 0.0399493 0.4685207 0.0000000), wk = 0.0026455 k( 57) = ( 0.0199747 0.4842604 -0.0000000), wk = 0.0026455 k( 58) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 60) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0026455 k( 61) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0026455 k( 62) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0026455 k( 63) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0026455 k( 64) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0026455 k( 65) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0026455 k( 66) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0026455 k( 67) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0026455 k( 68) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0026455 k( 69) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0026455 k( 70) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0026455 k( 71) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0026455 k( 72) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0026455 k( 73) = ( 0.0000000 0.5000000 0.2058824), wk = 0.0026455 k( 74) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0026455 k( 75) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0026455 k( 76) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026455 k( 77) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0026455 k( 78) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0026455 k( 79) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0026455 k( 80) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0026455 k( 81) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0026455 k( 82) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0026455 k( 83) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0026455 k( 84) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0026455 k( 85) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0026455 k( 86) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0026455 k( 87) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0026455 k( 88) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0026455 k( 89) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0026455 k( 90) = ( 0.0000000 0.5000000 0.4558824), wk = 0.0026455 k( 91) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0026455 k( 92) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0026455 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 95) = ( 0.0199747 0.4842604 0.5000000), wk = 0.0026455 k( 96) = ( 0.0399493 0.4685207 0.5000000), wk = 0.0026455 k( 97) = ( 0.0599239 0.4527811 0.5000000), wk = 0.0026455 k( 98) = ( 0.0798986 0.4370414 0.5000000), wk = 0.0026455 k( 99) = ( 0.0998732 0.4213018 0.5000000), wk = 0.0026455 k( 100) = ( 0.1198479 0.4055622 0.5000000), wk = 0.0026455 k( 101) = ( 0.1398225 0.3898225 0.5000000), wk = 0.0026455 k( 102) = ( 0.1597972 0.3740829 0.5000000), wk = 0.0026455 k( 103) = ( 0.1797718 0.3583433 0.5000000), wk = 0.0026455 k( 104) = ( 0.1997465 0.3426036 0.5000000), wk = 0.0026455 k( 105) = ( 0.2197211 0.3268640 0.5000000), wk = 0.0026455 k( 106) = ( 0.2396958 0.3111243 0.5000000), wk = 0.0026455 k( 107) = ( 0.2596704 0.2953847 0.5000000), wk = 0.0026455 k( 108) = ( 0.2796451 0.2796451 0.5000000), wk = 0.0026455 k( 109) = ( 0.2796451 0.2796451 0.5000000), wk = 0.0026455 k( 110) = ( 0.2729869 0.2729869 0.5000000), wk = 0.0026455 k( 111) = ( 0.2663286 0.2663286 0.5000000), wk = 0.0026455 k( 112) = ( 0.2596704 0.2596704 0.5000000), wk = 0.0026455 k( 113) = ( 0.2530122 0.2530122 0.5000000), wk = 0.0026455 k( 114) = ( 0.2463540 0.2463540 0.5000000), wk = 0.0026455 k( 115) = ( 0.2396958 0.2396958 0.5000000), wk = 0.0026455 k( 116) = ( 0.2330376 0.2330376 0.5000000), wk = 0.0026455 k( 117) = ( 0.2263793 0.2263793 0.5000000), wk = 0.0026455 k( 118) = ( 0.2197211 0.2197211 0.5000000), wk = 0.0026455 k( 119) = ( 0.2130629 0.2130629 0.5000000), wk = 0.0026455 k( 120) = ( 0.2064047 0.2064047 0.5000000), wk = 0.0026455 k( 121) = ( 0.1997465 0.1997465 0.5000000), wk = 0.0026455 k( 122) = ( 0.1930883 0.1930883 0.5000000), wk = 0.0026455 k( 123) = ( 0.1864300 0.1864300 0.5000000), wk = 0.0026455 k( 124) = ( 0.1797718 0.1797718 0.5000000), wk = 0.0026455 k( 125) = ( 0.1731136 0.1731136 0.5000000), wk = 0.0026455 k( 126) = ( 0.1664554 0.1664554 0.5000000), wk = 0.0026455 k( 127) = ( 0.1597972 0.1597972 0.5000000), wk = 0.0026455 k( 128) = ( 0.1531390 0.1531390 0.5000000), wk = 0.0026455 k( 129) = ( 0.1464807 0.1464807 0.5000000), wk = 0.0026455 k( 130) = ( 0.1398225 0.1398225 0.5000000), wk = 0.0026455 k( 131) = ( 0.1331643 0.1331643 0.5000000), wk = 0.0026455 k( 132) = ( 0.1265061 0.1265061 0.5000000), wk = 0.0026455 k( 133) = ( 0.1198479 0.1198479 0.5000000), wk = 0.0026455 k( 134) = ( 0.1131897 0.1131897 0.5000000), wk = 0.0026455 k( 135) = ( 0.1065314 0.1065315 0.5000000), wk = 0.0026455 k( 136) = ( 0.0998732 0.0998732 0.5000000), wk = 0.0026455 k( 137) = ( 0.0932150 0.0932150 0.5000000), wk = 0.0026455 k( 138) = ( 0.0865568 0.0865568 0.5000000), wk = 0.0026455 k( 139) = ( 0.0798986 0.0798986 0.5000000), wk = 0.0026455 k( 140) = ( 0.0732404 0.0732404 0.5000000), wk = 0.0026455 k( 141) = ( 0.0665822 0.0665822 0.5000000), wk = 0.0026455 k( 142) = ( 0.0599239 0.0599239 0.5000000), wk = 0.0026455 k( 143) = ( 0.0532657 0.0532657 0.5000000), wk = 0.0026455 k( 144) = ( 0.0466075 0.0466075 0.5000000), wk = 0.0026455 k( 145) = ( 0.0399493 0.0399493 0.5000000), wk = 0.0026455 k( 146) = ( 0.0332911 0.0332911 0.5000000), wk = 0.0026455 k( 147) = ( 0.0266329 0.0266329 0.5000000), wk = 0.0026455 k( 148) = ( 0.0199747 0.0199747 0.5000000), wk = 0.0026455 k( 149) = ( 0.0133164 0.0133164 0.5000000), wk = 0.0026455 k( 150) = ( 0.0066582 0.0066582 0.5000000), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0026455 k( 184) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026455 k( 185) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0026455 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 188) = ( -0.0192308 0.0192308 0.0000000), wk = 0.0026455 k( 189) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0026455 k( 190) = ( -0.0576923 0.0576923 0.0000000), wk = 0.0026455 k( 191) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0026455 k( 192) = ( -0.0961538 0.0961538 0.0000000), wk = 0.0026455 k( 193) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0026455 k( 194) = ( -0.1346154 0.1346154 0.0000000), wk = 0.0026455 k( 195) = ( -0.1538461 0.1538461 0.0000000), wk = 0.0026455 k( 196) = ( -0.1730769 0.1730769 0.0000000), wk = 0.0026455 k( 197) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0026455 k( 198) = ( -0.2115385 0.2115385 0.0000000), wk = 0.0026455 k( 199) = ( -0.2307692 0.2307692 -0.0000000), wk = 0.0026455 k( 200) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026455 k( 201) = ( -0.2692308 0.2692308 0.0000000), wk = 0.0026455 k( 202) = ( -0.2884615 0.2884615 0.0000000), wk = 0.0026455 k( 203) = ( -0.3076923 0.3076923 0.0000000), wk = 0.0026455 k( 204) = ( -0.3269231 0.3269231 0.0000000), wk = 0.0026455 k( 205) = ( -0.3461538 0.3461538 0.0000000), wk = 0.0026455 k( 206) = ( -0.3653846 0.3653846 0.0000000), wk = 0.0026455 k( 207) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0026455 k( 208) = ( -0.4038462 0.4038462 0.0000000), wk = 0.0026455 k( 209) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0026455 k( 210) = ( -0.4423077 0.4423077 0.0000000), wk = 0.0026455 k( 211) = ( -0.4615385 0.4615385 -0.0000000), wk = 0.0026455 k( 212) = ( -0.4807692 0.4807692 0.0000000), wk = 0.0026455 k( 213) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 214) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 215) = ( -0.4933226 0.5066774 0.0000000), wk = 0.0026455 k( 216) = ( -0.4866452 0.5133548 0.0000000), wk = 0.0026455 k( 217) = ( -0.4799677 0.5200323 0.0000000), wk = 0.0026455 k( 218) = ( -0.4732903 0.5267097 0.0000000), wk = 0.0026455 k( 219) = ( -0.4666129 0.5333871 0.0000000), wk = 0.0026455 k( 220) = ( -0.4599355 0.5400645 0.0000000), wk = 0.0026455 k( 221) = ( -0.4532580 0.5467420 0.0000000), wk = 0.0026455 k( 222) = ( -0.4465806 0.5534194 0.0000000), wk = 0.0026455 k( 223) = ( -0.4399032 0.5600968 0.0000000), wk = 0.0026455 k( 224) = ( -0.4332258 0.5667742 0.0000000), wk = 0.0026455 k( 225) = ( -0.4265484 0.5734516 -0.0000000), wk = 0.0026455 k( 226) = ( -0.4198709 0.5801291 0.0000000), wk = 0.0026455 k( 227) = ( -0.4131935 0.5868065 0.0000000), wk = 0.0026455 k( 228) = ( -0.4065161 0.5934839 0.0000000), wk = 0.0026455 k( 229) = ( -0.3998387 0.6001613 0.0000000), wk = 0.0026455 k( 230) = ( -0.3931612 0.6068388 0.0000000), wk = 0.0026455 k( 231) = ( -0.3864838 0.6135162 0.0000000), wk = 0.0026455 k( 232) = ( -0.3798064 0.6201936 0.0000000), wk = 0.0026455 k( 233) = ( -0.3731290 0.6268710 0.0000000), wk = 0.0026455 k( 234) = ( -0.3664516 0.6335485 0.0000000), wk = 0.0026455 k( 235) = ( -0.3597741 0.6402259 0.0000000), wk = 0.0026455 k( 236) = ( -0.3530967 0.6469033 0.0000000), wk = 0.0026455 k( 237) = ( -0.3464193 0.6535807 -0.0000000), wk = 0.0026455 k( 238) = ( -0.3397419 0.6602581 0.0000000), wk = 0.0026455 k( 239) = ( -0.3330644 0.6669356 0.0000000), wk = 0.0026455 k( 240) = ( -0.3263870 0.6736130 0.0000000), wk = 0.0026455 k( 241) = ( -0.3197096 0.6802904 0.0000000), wk = 0.0026455 k( 242) = ( -0.3130322 0.6869678 0.0000000), wk = 0.0026455 k( 243) = ( -0.3063548 0.6936452 0.0000000), wk = 0.0026455 k( 244) = ( -0.2996773 0.7003227 0.0000000), wk = 0.0026455 k( 245) = ( -0.2929999 0.7070001 0.0000000), wk = 0.0026455 k( 246) = ( -0.2863225 0.7136775 0.0000000), wk = 0.0026455 k( 247) = ( -0.2796451 0.7203549 0.0000000), wk = 0.0026455 k( 248) = ( -0.2796451 0.7203549 0.0000000), wk = 0.0026455 k( 249) = ( -0.2796451 0.7203549 0.0147059), wk = 0.0026455 k( 250) = ( -0.2796451 0.7203549 0.0294118), wk = 0.0026455 k( 251) = ( -0.2796451 0.7203549 0.0441177), wk = 0.0026455 k( 252) = ( -0.2796451 0.7203549 0.0588235), wk = 0.0026455 k( 253) = ( -0.2796451 0.7203549 0.0735294), wk = 0.0026455 k( 254) = ( -0.2796451 0.7203549 0.0882353), wk = 0.0026455 k( 255) = ( -0.2796451 0.7203549 0.1029412), wk = 0.0026455 k( 256) = ( -0.2796451 0.7203549 0.1176471), wk = 0.0026455 k( 257) = ( -0.2796451 0.7203549 0.1323529), wk = 0.0026455 k( 258) = ( -0.2796451 0.7203549 0.1470588), wk = 0.0026455 k( 259) = ( -0.2796451 0.7203549 0.1617647), wk = 0.0026455 k( 260) = ( -0.2796451 0.7203549 0.1764706), wk = 0.0026455 k( 261) = ( -0.2796451 0.7203549 0.1911765), wk = 0.0026455 k( 262) = ( -0.2796451 0.7203549 0.2058823), wk = 0.0026455 k( 263) = ( -0.2796451 0.7203549 0.2205882), wk = 0.0026455 k( 264) = ( -0.2796451 0.7203549 0.2352941), wk = 0.0026455 k( 265) = ( -0.2796451 0.7203549 0.2500000), wk = 0.0026455 k( 266) = ( -0.2796451 0.7203549 0.2647059), wk = 0.0026455 k( 267) = ( -0.2796451 0.7203549 0.2794118), wk = 0.0026455 k( 268) = ( -0.2796451 0.7203549 0.2941177), wk = 0.0026455 k( 269) = ( -0.2796451 0.7203549 0.3088235), wk = 0.0026455 k( 270) = ( -0.2796451 0.7203549 0.3235294), wk = 0.0026455 k( 271) = ( -0.2796451 0.7203549 0.3382353), wk = 0.0026455 k( 272) = ( -0.2796451 0.7203549 0.3529412), wk = 0.0026455 k( 273) = ( -0.2796451 0.7203549 0.3676471), wk = 0.0026455 k( 274) = ( -0.2796451 0.7203549 0.3823529), wk = 0.0026455 k( 275) = ( -0.2796451 0.7203549 0.3970588), wk = 0.0026455 k( 276) = ( -0.2796451 0.7203549 0.4117647), wk = 0.0026455 k( 277) = ( -0.2796451 0.7203549 0.4264706), wk = 0.0026455 k( 278) = ( -0.2796451 0.7203549 0.4411765), wk = 0.0026455 k( 279) = ( -0.2796451 0.7203549 0.4558823), wk = 0.0026455 k( 280) = ( -0.2796451 0.7203549 0.4705882), wk = 0.0026455 k( 281) = ( -0.2796451 0.7203549 0.4852941), wk = 0.0026455 k( 282) = ( -0.2796451 0.7203549 0.5000000), wk = 0.0026455 k( 283) = ( -0.2796451 0.7203549 0.5000000), wk = 0.0026455 k( 284) = ( -0.2863225 0.7136775 0.5000000), wk = 0.0026455 k( 285) = ( -0.2929999 0.7070001 0.5000000), wk = 0.0026455 k( 286) = ( -0.2996773 0.7003227 0.5000000), wk = 0.0026455 k( 287) = ( -0.3063548 0.6936452 0.5000000), wk = 0.0026455 k( 288) = ( -0.3130322 0.6869678 0.5000000), wk = 0.0026455 k( 289) = ( -0.3197096 0.6802904 0.5000000), wk = 0.0026455 k( 290) = ( -0.3263870 0.6736130 0.5000000), wk = 0.0026455 k( 291) = ( -0.3330644 0.6669356 0.5000000), wk = 0.0026455 k( 292) = ( -0.3397419 0.6602581 0.5000000), wk = 0.0026455 k( 293) = ( -0.3464193 0.6535807 0.5000000), wk = 0.0026455 k( 294) = ( -0.3530967 0.6469033 0.5000000), wk = 0.0026455 k( 295) = ( -0.3597741 0.6402259 0.5000000), wk = 0.0026455 k( 296) = ( -0.3664516 0.6335485 0.5000000), wk = 0.0026455 k( 297) = ( -0.3731290 0.6268710 0.5000000), wk = 0.0026455 k( 298) = ( -0.3798064 0.6201936 0.5000000), wk = 0.0026455 k( 299) = ( -0.3864838 0.6135162 0.5000000), wk = 0.0026455 k( 300) = ( -0.3931612 0.6068388 0.5000000), wk = 0.0026455 k( 301) = ( -0.3998387 0.6001613 0.5000000), wk = 0.0026455 k( 302) = ( -0.4065161 0.5934839 0.5000000), wk = 0.0026455 k( 303) = ( -0.4131935 0.5868065 0.5000000), wk = 0.0026455 k( 304) = ( -0.4198709 0.5801291 0.5000000), wk = 0.0026455 k( 305) = ( -0.4265484 0.5734516 0.5000000), wk = 0.0026455 k( 306) = ( -0.4332258 0.5667742 0.5000000), wk = 0.0026455 k( 307) = ( -0.4399032 0.5600968 0.5000000), wk = 0.0026455 k( 308) = ( -0.4465806 0.5534194 0.5000000), wk = 0.0026455 k( 309) = ( -0.4532580 0.5467420 0.5000000), wk = 0.0026455 k( 310) = ( -0.4599355 0.5400645 0.5000000), wk = 0.0026455 k( 311) = ( -0.4666129 0.5333871 0.5000000), wk = 0.0026455 k( 312) = ( -0.4732903 0.5267097 0.5000000), wk = 0.0026455 k( 313) = ( -0.4799677 0.5200323 0.5000000), wk = 0.0026455 k( 314) = ( -0.4866452 0.5133548 0.5000000), wk = 0.0026455 k( 315) = ( -0.4933226 0.5066774 0.5000000), wk = 0.0026455 k( 316) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 318) = ( -0.5000000 0.5000000 0.4852941), wk = 0.0026455 k( 319) = ( -0.5000000 0.5000000 0.4705882), wk = 0.0026455 k( 320) = ( -0.5000000 0.5000000 0.4558823), wk = 0.0026455 k( 321) = ( -0.5000000 0.5000000 0.4411765), wk = 0.0026455 k( 322) = ( -0.5000000 0.5000000 0.4264706), wk = 0.0026455 k( 323) = ( -0.5000000 0.5000000 0.4117647), wk = 0.0026455 k( 324) = ( -0.5000000 0.5000000 0.3970588), wk = 0.0026455 k( 325) = ( -0.5000000 0.5000000 0.3823529), wk = 0.0026455 k( 326) = ( -0.5000000 0.5000000 0.3676471), wk = 0.0026455 k( 327) = ( -0.5000000 0.5000000 0.3529412), wk = 0.0026455 k( 328) = ( -0.5000000 0.5000000 0.3382353), wk = 0.0026455 k( 329) = ( -0.5000000 0.5000000 0.3235294), wk = 0.0026455 k( 330) = ( -0.5000000 0.5000000 0.3088235), wk = 0.0026455 k( 331) = ( -0.5000000 0.5000000 0.2941177), wk = 0.0026455 k( 332) = ( -0.5000000 0.5000000 0.2794118), wk = 0.0026455 k( 333) = ( -0.5000000 0.5000000 0.2647059), wk = 0.0026455 k( 334) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0026455 k( 335) = ( -0.5000000 0.5000000 0.2352941), wk = 0.0026455 k( 336) = ( -0.5000000 0.5000000 0.2205882), wk = 0.0026455 k( 337) = ( -0.5000000 0.5000000 0.2058823), wk = 0.0026455 k( 338) = ( -0.5000000 0.5000000 0.1911765), wk = 0.0026455 k( 339) = ( -0.5000000 0.5000000 0.1764706), wk = 0.0026455 k( 340) = ( -0.5000000 0.5000000 0.1617647), wk = 0.0026455 k( 341) = ( -0.5000000 0.5000000 0.1470588), wk = 0.0026455 k( 342) = ( -0.5000000 0.5000000 0.1323529), wk = 0.0026455 k( 343) = ( -0.5000000 0.5000000 0.1176471), wk = 0.0026455 k( 344) = ( -0.5000000 0.5000000 0.1029412), wk = 0.0026455 k( 345) = ( -0.5000000 0.5000000 0.0882353), wk = 0.0026455 k( 346) = ( -0.5000000 0.5000000 0.0735294), wk = 0.0026455 k( 347) = ( -0.5000000 0.5000000 0.0588235), wk = 0.0026455 k( 348) = ( -0.5000000 0.5000000 0.0441177), wk = 0.0026455 k( 349) = ( -0.5000000 0.5000000 0.0294118), wk = 0.0026455 k( 350) = ( -0.5000000 0.5000000 0.0147059), wk = 0.0026455 k( 351) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 352) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 353) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0026455 k( 354) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0026455 k( 355) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0026455 k( 356) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0026455 k( 357) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0026455 k( 358) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0026455 k( 359) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0026455 k( 360) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0026455 k( 361) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0026455 k( 362) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0026455 k( 363) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0026455 k( 364) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0026455 k( 365) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026455 k( 366) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0026455 k( 367) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0026455 k( 368) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0026455 k( 369) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0026455 k( 370) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0026455 k( 371) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0026455 k( 372) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0026455 k( 373) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0026455 k( 374) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0026455 k( 375) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0026455 k( 376) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0026455 k( 377) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0026455 k( 378) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 Dense grid: 47971 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 35673 G-vectors FFT dimensions: ( 54, 54, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 268, 48) NL pseudopotentials 0.28 Mb ( 134, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1333) G-vector shells 0.00 Mb ( 652) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 268, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./TlCl.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 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.3 secs Computing kpt #: 20 total cpu time spent up to now is 12.8 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.1 secs Computing kpt #: 24 total cpu time spent up to now is 14.5 secs Computing kpt #: 25 total cpu time spent up to now is 14.9 secs Computing kpt #: 26 total cpu time spent up to now is 15.3 secs Computing kpt #: 27 total cpu time spent up to now is 15.8 secs Computing kpt #: 28 total cpu time spent up to now is 16.2 secs Computing kpt #: 29 total cpu time spent up to now is 16.6 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.9 secs Computing kpt #: 33 total cpu time spent up to now is 18.3 secs Computing kpt #: 34 total cpu time spent up to now is 18.7 secs Computing kpt #: 35 total cpu time spent up to now is 19.1 secs Computing kpt #: 36 total cpu time spent up to now is 19.5 secs Computing kpt #: 37 total cpu time spent up to now is 19.9 secs Computing kpt #: 38 total cpu time spent up to now is 20.4 secs Computing kpt #: 39 total cpu time spent up to now is 20.8 secs Computing kpt #: 40 total cpu time spent up to now is 21.2 secs Computing kpt #: 41 total cpu time spent up to now is 21.7 secs Computing kpt #: 42 total cpu time spent up to now is 22.1 secs Computing kpt #: 43 total cpu time spent up to now is 22.5 secs Computing kpt #: 44 total cpu time spent up to now is 23.0 secs Computing kpt #: 45 total cpu time spent up to now is 23.4 secs Computing kpt #: 46 total cpu time spent up to now is 23.8 secs Computing kpt #: 47 total cpu time spent up to now is 24.3 secs Computing kpt #: 48 total cpu time spent up to now is 24.7 secs Computing kpt #: 49 total cpu time spent up to now is 25.1 secs Computing kpt #: 50 total cpu time spent up to now is 25.5 secs Computing kpt #: 51 total cpu time spent up to now is 26.0 secs Computing kpt #: 52 total cpu time spent up to now is 26.4 secs Computing kpt #: 53 total cpu time spent up to now is 26.8 secs Computing kpt #: 54 total cpu time spent up to now is 27.2 secs Computing kpt #: 55 total cpu time spent up to now is 27.6 secs Computing kpt #: 56 total cpu time spent up to now is 28.1 secs Computing kpt #: 57 total cpu time spent up to now is 28.5 secs Computing kpt #: 58 total cpu time spent up to now is 28.9 secs Computing kpt #: 59 total cpu time spent up to now is 29.3 secs Computing kpt #: 60 total cpu time spent up to now is 29.7 secs Computing kpt #: 61 total cpu time spent up to now is 30.1 secs Computing kpt #: 62 total cpu time spent up to now is 30.5 secs Computing kpt #: 63 total cpu time spent up to now is 30.9 secs Computing kpt #: 64 total cpu time spent up to now is 31.3 secs Computing kpt #: 65 total cpu time spent up to now is 31.8 secs Computing kpt #: 66 total cpu time spent up to now is 32.2 secs Computing kpt #: 67 total cpu time spent up to now is 32.6 secs Computing kpt #: 68 total cpu time spent up to now is 33.0 secs Computing kpt #: 69 total cpu time spent up to now is 33.5 secs Computing kpt #: 70 total cpu time spent up to now is 33.9 secs Computing kpt #: 71 total cpu time spent up to now is 34.3 secs Computing kpt #: 72 total cpu time spent up to now is 34.8 secs Computing kpt #: 73 total cpu time spent up to now is 35.2 secs Computing kpt #: 74 total cpu time spent up to now is 35.6 secs Computing kpt #: 75 total cpu time spent up to now is 36.1 secs Computing kpt #: 76 total cpu time spent up to now is 36.5 secs Computing kpt #: 77 total cpu time spent up to now is 36.9 secs Computing kpt #: 78 total cpu time spent up to now is 37.3 secs Computing kpt #: 79 total cpu time spent up to now is 37.8 secs Computing kpt #: 80 total cpu time spent up to now is 38.2 secs Computing kpt #: 81 total cpu time spent up to now is 38.6 secs Computing kpt #: 82 total cpu time spent up to now is 39.1 secs Computing kpt #: 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up to now is 59.7 secs Computing kpt #: 130 total cpu time spent up to now is 60.2 secs Computing kpt #: 131 total cpu time spent up to now is 60.6 secs Computing kpt #: 132 total cpu time spent up to now is 61.1 secs Computing kpt #: 133 total cpu time spent up to now is 61.6 secs Computing kpt #: 134 total cpu time spent up to now is 62.0 secs Computing kpt #: 135 total cpu time spent up to now is 62.5 secs Computing kpt #: 136 total cpu time spent up to now is 63.0 secs Computing kpt #: 137 total cpu time spent up to now is 63.4 secs Computing kpt #: 138 total cpu time spent up to now is 63.9 secs Computing kpt #: 139 total cpu time spent up to now is 64.4 secs Computing kpt #: 140 total cpu time spent up to now is 64.8 secs Computing kpt #: 141 total cpu time spent up to now is 65.3 secs Computing kpt #: 142 total cpu time spent up to now is 65.8 secs Computing kpt #: 143 total cpu time spent up to now is 66.2 secs Computing kpt #: 144 total cpu time spent up to now is 66.7 secs Computing kpt #: 145 total cpu time spent up to now is 67.2 secs Computing kpt #: 146 total cpu time spent up to now is 67.6 secs Computing kpt #: 147 total cpu time spent up to now is 68.1 secs Computing kpt #: 148 total cpu time spent up to now is 68.6 secs Computing kpt #: 149 total cpu time spent up to now is 69.0 secs Computing kpt #: 150 total cpu time spent up to now is 69.5 secs Computing kpt #: 151 total cpu time spent up to now is 69.9 secs Computing kpt #: 152 total cpu time spent up to now is 70.7 secs Computing kpt #: 153 total cpu time spent up to now is 71.1 secs Computing kpt #: 154 total cpu time spent up to now is 71.6 secs Computing kpt #: 155 total cpu time spent up to now is 72.1 secs Computing kpt #: 156 total cpu time spent up to now is 72.5 secs Computing kpt #: 157 total cpu time spent up to now is 73.0 secs Computing kpt #: 158 total cpu time spent up to now is 73.4 secs Computing kpt #: 159 total cpu time spent up to now is 73.9 secs Computing kpt #: 160 total cpu time spent up to now is 74.3 secs Computing kpt #: 161 total cpu time spent up to now is 74.8 secs Computing kpt #: 162 total cpu time spent up to now is 75.2 secs Computing kpt #: 163 total cpu time spent up to now is 75.7 secs Computing kpt #: 164 total cpu time spent up to now is 76.1 secs Computing kpt #: 165 total cpu time spent up to now is 76.6 secs Computing kpt #: 166 total cpu time spent up to now is 77.0 secs Computing kpt #: 167 total cpu time spent up to now is 77.5 secs Computing kpt #: 168 total cpu time spent up to now is 78.0 secs Computing kpt #: 169 total cpu time spent up to now is 78.4 secs Computing kpt #: 170 total cpu time spent up to now is 78.9 secs Computing kpt #: 171 total cpu time spent up to now is 79.4 secs Computing kpt #: 172 total cpu time spent up to now is 80.0 secs Computing kpt #: 173 total cpu time spent up to now is 80.6 secs Computing kpt #: 174 total cpu time spent up to now is 81.2 secs Computing kpt #: 175 total cpu time spent up to now is 81.7 secs Computing kpt #: 176 total cpu time spent up to now is 82.2 secs Computing kpt #: 177 total cpu time spent up to now is 82.8 secs Computing kpt #: 178 total cpu time spent up to now is 83.4 secs Computing kpt #: 179 total cpu time spent up to now is 83.9 secs Computing kpt #: 180 total cpu time spent up to now is 84.5 secs Computing kpt #: 181 total cpu time spent up to now is 85.0 secs Computing kpt #: 182 total cpu time spent up to now is 85.6 secs Computing kpt #: 183 total cpu time spent up to now is 86.2 secs Computing kpt #: 184 total cpu time spent up to now is 86.7 secs Computing kpt #: 185 total cpu time spent up to now is 87.3 secs Computing kpt #: 186 total cpu time spent up to now is 87.9 secs Computing kpt #: 187 total cpu time spent up to now is 88.5 secs Computing kpt #: 188 total cpu time spent up to now is 89.1 secs Computing kpt #: 189 total cpu time spent up to now is 89.7 secs Computing kpt #: 190 total cpu time spent up to now is 90.3 secs Computing kpt #: 191 total cpu time spent up to now is 90.9 secs Computing kpt #: 192 total cpu time spent up to now is 91.5 secs Computing kpt #: 193 total cpu time spent up to now is 92.1 secs Computing kpt #: 194 total cpu time spent up to now is 92.6 secs Computing kpt #: 195 total cpu time spent up to now is 93.2 secs Computing kpt #: 196 total cpu time spent up to now is 93.7 secs Computing kpt #: 197 total cpu time spent up to now is 94.2 secs Computing kpt #: 198 total cpu time spent up to now is 94.7 secs Computing kpt #: 199 total cpu time spent up to now is 95.2 secs Computing kpt #: 200 total cpu time spent up to now is 95.7 secs Computing kpt #: 201 total cpu time spent up to now is 96.2 secs Computing kpt #: 202 total cpu time spent up to now is 96.6 secs Computing kpt #: 203 total cpu time spent up to now is 97.1 secs Computing kpt #: 204 total cpu time spent up to now is 97.6 secs Computing kpt #: 205 total cpu time spent up to now is 98.1 secs Computing kpt #: 206 total cpu time spent up to now is 98.5 secs Computing kpt #: 207 total cpu time spent up to now is 99.0 secs Computing kpt #: 208 total cpu time spent up to now is 99.4 secs Computing kpt #: 209 total cpu time spent up to now is 99.9 secs Computing kpt #: 210 total cpu time spent up to now is 100.3 secs Computing kpt #: 211 total cpu time spent up to now is 100.8 secs Computing kpt #: 212 total cpu time spent up to now is 101.2 secs Computing kpt #: 213 total cpu time spent up to now is 101.7 secs Computing kpt #: 214 total cpu time spent up to now is 102.1 secs Computing kpt #: 215 total cpu time spent up to now is 102.6 secs Computing kpt #: 216 total cpu time spent up to now is 103.1 secs Computing kpt #: 217 total cpu time spent up to now is 103.5 secs Computing kpt #: 218 total cpu time spent up to now is 104.0 secs Computing kpt #: 219 total cpu time spent up to now is 104.4 secs Computing kpt #: 220 total cpu time spent up to now is 104.9 secs Computing kpt #: 221 total cpu time spent up to now is 105.8 secs Computing kpt #: 222 total cpu time spent up to now is 106.2 secs Computing kpt #: 223 total cpu time spent up to now is 106.7 secs Computing kpt #: 224 total cpu time spent up to now is 107.2 secs Computing kpt #: 225 total cpu time spent up to now is 107.6 secs Computing kpt #: 226 total cpu time spent up to now is 108.1 secs Computing kpt #: 227 total cpu time spent up to now is 108.5 secs Computing kpt #: 228 total cpu time spent up to now is 109.0 secs Computing kpt #: 229 total cpu time spent up to now is 109.5 secs Computing kpt #: 230 total cpu time spent up to now is 109.9 secs Computing kpt #: 231 total cpu time spent up to now is 110.4 secs Computing kpt #: 232 total cpu time spent up to now is 110.9 secs Computing kpt #: 233 total cpu time spent up to now is 111.4 secs Computing kpt #: 234 total cpu time spent up to now is 111.8 secs Computing kpt #: 235 total cpu time spent up to now is 112.3 secs Computing kpt #: 236 total cpu time spent up to now is 112.7 secs Computing kpt #: 237 total cpu time spent up to now is 113.2 secs Computing kpt #: 238 total cpu time spent up to now is 113.6 secs Computing kpt #: 239 total cpu time spent up to now is 114.1 secs Computing kpt #: 240 total cpu time spent up to now is 114.5 secs Computing kpt #: 241 total cpu time spent up to now is 114.9 secs Computing kpt #: 242 total cpu time spent up to now is 115.4 secs Computing kpt #: 243 total cpu time spent up to now is 115.8 secs Computing kpt #: 244 total cpu time spent up to now is 116.2 secs Computing kpt #: 245 total cpu time spent up to now is 116.7 secs Computing kpt #: 246 total cpu time spent up to now is 117.1 secs Computing kpt #: 247 total cpu time spent up to now is 117.5 secs Computing kpt #: 248 total cpu time spent up to now is 118.0 secs Computing kpt #: 249 total cpu time spent up to now is 118.4 secs Computing kpt #: 250 total cpu time spent up to now is 118.8 secs Computing kpt #: 251 total cpu time spent up to now is 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Computing kpt #: 267 total cpu time spent up to now is 126.1 secs Computing kpt #: 268 total cpu time spent up to now is 126.5 secs Computing kpt #: 269 total cpu time spent up to now is 127.0 secs Computing kpt #: 270 total cpu time spent up to now is 127.4 secs Computing kpt #: 271 total cpu time spent up to now is 127.8 secs Computing kpt #: 272 total cpu time spent up to now is 128.2 secs Computing kpt #: 273 total cpu time spent up to now is 128.7 secs Computing kpt #: 274 total cpu time spent up to now is 129.1 secs Computing kpt #: 275 total cpu time spent up to now is 129.5 secs Computing kpt #: 276 total cpu time spent up to now is 129.9 secs Computing kpt #: 277 total cpu time spent up to now is 130.4 secs Computing kpt #: 278 total cpu time spent up to now is 130.8 secs Computing kpt #: 279 total cpu time spent up to now is 131.2 secs Computing kpt #: 280 total cpu time spent up to now is 131.6 secs Computing kpt #: 281 total cpu time spent up to now is 132.1 secs Computing kpt #: 282 total cpu time spent up to now is 132.5 secs Computing kpt #: 283 total cpu time spent up to now is 132.9 secs Computing kpt #: 284 total cpu time spent up to now is 133.3 secs Computing kpt #: 285 total cpu time spent up to now is 133.7 secs Computing kpt #: 286 total cpu time spent up to now is 134.2 secs Computing kpt #: 287 total cpu time spent up to now is 134.6 secs Computing kpt #: 288 total cpu time spent up to now is 135.0 secs Computing kpt #: 289 total cpu time spent up to now is 135.4 secs Computing kpt #: 290 total cpu time spent up to now is 135.9 secs Computing kpt #: 291 total cpu time spent up to now is 136.3 secs Computing kpt #: 292 total cpu time spent up to now is 136.7 secs Computing kpt #: 293 total cpu time spent up to now is 137.1 secs Computing kpt #: 294 total cpu time spent up to now is 137.5 secs Computing kpt #: 295 total cpu time spent up to now is 138.0 secs Computing kpt #: 296 total cpu time spent up to now is 138.4 secs Computing kpt #: 297 total cpu time spent up to now is 138.8 secs Computing kpt #: 298 total cpu time spent up to now is 139.2 secs Computing kpt #: 299 total cpu time spent up to now is 139.7 secs Computing kpt #: 300 total cpu time spent up to now is 140.1 secs Computing kpt #: 301 total cpu time spent up to now is 140.7 secs Computing kpt #: 302 total cpu time spent up to now is 141.1 secs Computing kpt #: 303 total cpu time spent up to now is 141.5 secs Computing kpt #: 304 total cpu time spent up to now is 142.0 secs Computing kpt #: 305 total cpu time spent up to now is 142.4 secs Computing kpt #: 306 total cpu time spent up to now is 142.8 secs Computing kpt #: 307 total cpu time spent up to now is 143.3 secs Computing kpt #: 308 total cpu time spent up to now is 143.7 secs Computing kpt #: 309 total cpu time spent up to now is 144.1 secs Computing kpt #: 310 total cpu time spent up to now is 144.6 secs Computing kpt #: 311 total cpu time spent up to now is 145.0 secs Computing kpt #: 312 total cpu time spent up to now is 145.4 secs Computing kpt #: 313 total cpu time spent up to now is 145.9 secs Computing kpt #: 314 total cpu time spent up to now is 146.3 secs Computing kpt #: 315 total cpu time spent up to now is 146.7 secs Computing kpt #: 316 total cpu time spent up to now is 147.2 secs Computing kpt #: 317 total cpu time spent up to now is 147.6 secs Computing kpt #: 318 total cpu time spent up to now is 148.0 secs Computing kpt #: 319 total cpu time spent up to now is 148.5 secs Computing kpt #: 320 total cpu time spent up to now is 148.9 secs Computing kpt #: 321 total cpu time spent up to now is 149.4 secs Computing kpt #: 322 total cpu time spent up to now is 149.9 secs Computing kpt #: 323 total cpu time spent up to now is 150.4 secs Computing kpt #: 324 total cpu time spent up to now is 150.8 secs Computing kpt #: 325 total cpu time spent up to now is 151.3 secs Computing kpt #: 326 total cpu time spent up to now is 151.7 secs Computing kpt #: 327 total cpu time spent up to now is 152.1 secs Computing kpt #: 328 total cpu time spent up to now is 152.6 secs Computing kpt #: 329 total cpu time spent up to now is 153.0 secs Computing kpt #: 330 total cpu time spent up to now is 153.5 secs Computing kpt #: 331 total cpu time spent up to now is 153.9 secs Computing kpt #: 332 total cpu time spent up to now is 154.4 secs Computing kpt #: 333 total cpu time spent up to now is 154.8 secs Computing kpt #: 334 total cpu time spent up to now is 155.3 secs Computing kpt #: 335 total cpu time spent up to now is 155.7 secs Computing kpt #: 336 total cpu time spent up to now is 156.2 secs Computing kpt #: 337 total cpu time spent up to now is 156.6 secs Computing kpt #: 338 total cpu time spent up to now is 157.1 secs Computing kpt #: 339 total cpu time spent up to now is 157.6 secs Computing kpt #: 340 total cpu time spent up to now is 158.0 secs Computing kpt #: 341 total cpu time spent up to now is 158.5 secs Computing kpt #: 342 total cpu time spent up to now is 159.0 secs Computing kpt #: 343 total cpu time spent up to now is 159.5 secs Computing kpt #: 344 total cpu time spent up to now is 159.9 secs Computing kpt #: 345 total cpu time spent up to now is 160.4 secs Computing kpt #: 346 total cpu time spent up to now is 160.9 secs Computing kpt #: 347 total cpu time spent up to now is 161.3 secs Computing kpt #: 348 total cpu time spent up to now is 161.8 secs Computing kpt #: 349 total cpu time spent up to now is 162.2 secs Computing kpt #: 350 total cpu time spent up to now is 162.7 secs Computing kpt #: 351 total cpu time spent up to now is 163.1 secs Computing kpt #: 352 total cpu time spent up to now is 163.6 secs Computing kpt #: 353 total cpu time spent up to now is 164.0 secs Computing kpt #: 354 total cpu time spent up to now is 164.5 secs Computing kpt #: 355 total cpu time spent up to now is 164.9 secs Computing kpt #: 356 total cpu time spent up to now is 165.4 secs Computing kpt #: 357 total cpu time spent up to now is 165.8 secs Computing kpt #: 358 total cpu time spent up to now is 166.3 secs Computing kpt #: 359 total cpu time spent up to now is 166.7 secs Computing kpt #: 360 total cpu time spent up to now is 167.2 secs Computing kpt #: 361 total cpu time spent up to now is 167.6 secs Computing kpt #: 362 total cpu time spent up to now is 168.1 secs Computing kpt #: 363 total cpu time spent up to now is 168.5 secs Computing kpt #: 364 total cpu time spent up to now is 169.0 secs Computing kpt #: 365 total cpu time spent up to now is 169.4 secs Computing kpt #: 366 total cpu time spent up to now is 169.8 secs Computing kpt #: 367 total cpu time spent up to now is 170.3 secs Computing kpt #: 368 total cpu time spent up to now is 170.7 secs Computing kpt #: 369 total cpu time spent up to now is 171.2 secs Computing kpt #: 370 total cpu time spent up to now is 171.6 secs Computing kpt #: 371 total cpu time spent up to now is 172.0 secs Computing kpt #: 372 total cpu time spent up to now is 172.5 secs Computing kpt #: 373 total cpu time spent up to now is 172.9 secs Computing kpt #: 374 total cpu time spent up to now is 173.3 secs Computing kpt #: 375 total cpu time spent up to now is 173.8 secs Computing kpt #: 376 total cpu time spent up to now is 174.2 secs Computing kpt #: 377 total cpu time spent up to now is 174.6 secs Computing kpt #: 378 total cpu time spent up to now is 175.1 secs ethr = 2.50E-08, avg # of iterations = 17.0 total cpu time spent up to now is 175.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4491 PWs) bands (ev): -9.4917 -9.4917 -9.2823 -9.2823 -6.8042 -6.8042 -6.7759 -6.7759 -6.7673 -6.7673 -6.7098 -6.7098 -4.6554 -4.6554 -4.6282 -4.6282 -4.5953 -4.5953 -4.5682 -4.5682 -4.5448 -4.5448 -4.4996 -4.4996 -0.0911 -0.0911 0.9792 0.9792 1.3746 1.3746 1.7973 1.7973 2.4224 2.4224 2.5012 2.5012 2.5687 2.5687 3.0034 3.0034 8.2763 8.2763 9.6760 9.6760 9.7875 9.7875 11.0299 11.0299 k = 0.0067 0.0193-0.0000 ( 4481 PWs) bands (ev): -9.4914 -9.4914 -9.2821 -9.2821 -6.8042 -6.8042 -6.7759 -6.7759 -6.7673 -6.7673 -6.7099 -6.7099 -4.6554 -4.6554 -4.6281 -4.6281 -4.5953 -4.5953 -4.5683 -4.5683 -4.5448 -4.5448 -4.4997 -4.4997 -0.0929 -0.0929 0.9775 0.9775 1.3751 1.3751 1.7983 1.7983 2.4237 2.4237 2.5029 2.5029 2.5706 2.5706 3.0036 3.0036 8.2726 8.2726 9.6667 9.6667 9.7906 9.7906 11.0242 11.0242 k = 0.0133 0.0387-0.0000 ( 4477 PWs) bands (ev): -9.4907 -9.4907 -9.2817 -9.2817 -6.8042 -6.8042 -6.7759 -6.7759 -6.7673 -6.7673 -6.7101 -6.7101 -4.6554 -4.6554 -4.6280 -4.6280 -4.5953 -4.5953 -4.5685 -4.5685 -4.5450 -4.5450 -4.4999 -4.4999 -0.0984 -0.0984 0.9724 0.9724 1.3766 1.3766 1.8014 1.8014 2.4275 2.4275 2.5081 2.5081 2.5764 2.5764 3.0042 3.0042 8.2617 8.2617 9.6417 9.6417 9.7971 9.7971 11.0064 11.0064 k = 0.0200 0.0580-0.0000 ( 4489 PWs) bands (ev): -9.4895 -9.4895 -9.2811 -9.2811 -6.8042 -6.8042 -6.7759 -6.7759 -6.7673 -6.7673 -6.7105 -6.7105 -4.6555 -4.6555 -4.6277 -4.6277 -4.5953 -4.5953 -4.5689 -4.5689 -4.5453 -4.5453 -4.5002 -4.5002 -0.1073 -0.1073 0.9640 0.9640 1.3792 1.3792 1.8064 1.8064 2.4336 2.4336 2.5165 2.5165 2.5863 2.5863 3.0052 3.0052 8.2435 8.2435 9.6056 9.6056 9.8026 9.8026 10.9743 10.9743 k = 0.0266 0.0773-0.0000 ( 4489 PWs) bands (ev): -9.4878 -9.4878 -9.2802 -9.2802 -6.8042 -6.8042 -6.7758 -6.7758 -6.7673 -6.7673 -6.7110 -6.7110 -4.6555 -4.6555 -4.6274 -4.6274 -4.5954 -4.5954 -4.5695 -4.5695 -4.5457 -4.5457 -4.5007 -4.5007 -0.1197 -0.1197 0.9524 0.9524 1.3829 1.3829 1.8135 1.8135 2.4416 2.4416 2.5281 2.5281 2.6004 2.6004 3.0067 3.0067 8.2182 8.2182 9.5609 9.5609 9.8047 9.8047 10.9258 10.9258 k = 0.0333 0.0967-0.0000 ( 4481 PWs) bands (ev): -9.4856 -9.4856 -9.2790 -9.2790 -6.8042 -6.8042 -6.7758 -6.7758 -6.7673 -6.7673 -6.7117 -6.7117 -4.6556 -4.6556 -4.6270 -4.6270 -4.5954 -4.5954 -4.5701 -4.5701 -4.5463 -4.5463 -4.5013 -4.5013 -0.1353 -0.1353 0.9378 0.9378 1.3878 1.3878 1.8225 1.8225 2.4511 2.4511 2.5427 2.5427 2.6189 2.6189 3.0087 3.0087 8.1860 8.1860 9.5091 9.5091 9.8024 9.8024 10.8597 10.8597 k = 0.0399 0.1160-0.0000 ( 4475 PWs) bands (ev): -9.4829 -9.4829 -9.2776 -9.2776 -6.8041 -6.8041 -6.7757 -6.7757 -6.7672 -6.7672 -6.7125 -6.7125 -4.6556 -4.6556 -4.6266 -4.6266 -4.5956 -4.5956 -4.5708 -4.5708 -4.5469 -4.5469 -4.5021 -4.5021 -0.1540 -0.1540 0.9204 0.9204 1.3940 1.3940 1.8334 1.8334 2.4617 2.4617 2.5599 2.5599 2.6418 2.6418 3.0112 3.0112 8.1471 8.1471 9.4509 9.4509 9.7952 9.7952 10.7779 10.7779 k = 0.0466 0.1353-0.0000 ( 4475 PWs) bands (ev): -9.4798 -9.4798 -9.2759 -9.2759 -6.8041 -6.8041 -6.7756 -6.7756 -6.7672 -6.7672 -6.7134 -6.7134 -4.6557 -4.6557 -4.6260 -4.6260 -4.5959 -4.5959 -4.5715 -4.5715 -4.5476 -4.5476 -4.5030 -4.5030 -0.1755 -0.1755 0.9006 0.9006 1.4016 1.4016 1.8462 1.8462 2.4731 2.4731 2.5795 2.5795 2.6692 2.6692 3.0145 3.0145 8.1019 8.1019 9.3870 9.3870 9.7831 9.7831 10.6836 10.6836 k = 0.0533 0.1547-0.0000 ( 4483 PWs) bands (ev): -9.4762 -9.4762 -9.2740 -9.2740 -6.8041 -6.8041 -6.7755 -6.7755 -6.7672 -6.7672 -6.7145 -6.7145 -4.6558 -4.6558 -4.6255 -4.6255 -4.5963 -4.5963 -4.5722 -4.5722 -4.5485 -4.5485 -4.5040 -4.5040 -0.1996 -0.1996 0.8785 0.8785 1.4106 1.4106 1.8608 1.8608 2.4851 2.4851 2.6011 2.6011 2.7007 2.7007 3.0185 3.0185 8.0505 8.0505 9.3179 9.3179 9.7663 9.7663 10.5804 10.5804 k = 0.0599 0.1740-0.0000 ( 4481 PWs) bands (ev): -9.4723 -9.4723 -9.2720 -9.2720 -6.8040 -6.8040 -6.7754 -6.7754 -6.7672 -6.7672 -6.7157 -6.7157 -4.6559 -4.6559 -4.6248 -4.6248 -4.5968 -4.5968 -4.5728 -4.5728 -4.5494 -4.5494 -4.5051 -4.5051 -0.2260 -0.2260 0.8544 0.8544 1.4211 1.4211 1.8771 1.8771 2.4976 2.4976 2.6244 2.6244 2.7362 2.7362 3.0235 3.0235 7.9934 7.9934 9.2441 9.2441 9.7447 9.7447 10.4710 10.4710 k = 0.0666 0.1934-0.0000 ( 4485 PWs) bands (ev): -9.4679 -9.4679 -9.2697 -9.2697 -6.8040 -6.8040 -6.7753 -6.7753 -6.7672 -6.7672 -6.7171 -6.7171 -4.6560 -4.6560 -4.6242 -4.6242 -4.5976 -4.5976 -4.5733 -4.5733 -4.5504 -4.5504 -4.5063 -4.5063 -0.2545 -0.2545 0.8286 0.8286 1.4331 1.4331 1.8950 1.8950 2.5106 2.5106 2.6490 2.6490 2.7751 2.7751 3.0298 3.0298 7.9312 7.9312 9.1661 9.1661 9.7188 9.7188 10.3575 10.3575 k = 0.0732 0.2127-0.0000 ( 4479 PWs) bands (ev): -9.4632 -9.4632 -9.2673 -9.2673 -6.8040 -6.8040 -6.7751 -6.7751 -6.7672 -6.7672 -6.7185 -6.7185 -4.6561 -4.6561 -4.6236 -4.6236 -4.5985 -4.5985 -4.5736 -4.5736 -4.5516 -4.5516 -4.5076 -4.5076 -0.2848 -0.2848 0.8014 0.8014 1.4468 1.4468 1.9146 1.9146 2.5240 2.5240 2.6745 2.6745 2.8171 2.8171 3.0376 3.0376 7.8641 7.8641 9.0844 9.0844 9.6889 9.6889 10.2416 10.2416 k = 0.0799 0.2320-0.0000 ( 4479 PWs) bands (ev): -9.4581 -9.4581 -9.2648 -9.2648 -6.8039 -6.8039 -6.7750 -6.7750 -6.7672 -6.7672 -6.7201 -6.7201 -4.6563 -4.6563 -4.6230 -4.6230 -4.5996 -4.5996 -4.5737 -4.5737 -4.5527 -4.5527 -4.5091 -4.5091 -0.3165 -0.3165 0.7730 0.7730 1.4620 1.4620 1.9357 1.9357 2.5377 2.5377 2.7002 2.7002 2.8616 2.8616 3.0474 3.0474 7.7929 7.7929 8.9993 8.9993 9.6551 9.6551 10.1246 10.1246 k = 0.0866 0.2514-0.0000 ( 4471 PWs) bands (ev): -9.4527 -9.4527 -9.2621 -9.2621 -6.8039 -6.8039 -6.7748 -6.7748 -6.7671 -6.7671 -6.7218 -6.7218 -4.6564 -4.6564 -4.6226 -4.6226 -4.6009 -4.6009 -4.5736 -4.5736 -4.5540 -4.5540 -4.5106 -4.5106 -0.3494 -0.3494 0.7436 0.7436 1.4788 1.4788 1.9581 1.9581 2.5518 2.5518 2.7256 2.7256 2.9080 2.9080 3.0599 3.0599 7.7179 7.7179 8.9114 8.9114 9.6181 9.6181 10.0073 10.0073 k = 0.0932 0.2707-0.0000 ( 4471 PWs) bands (ev): -9.4471 -9.4471 -9.2593 -9.2593 -6.8038 -6.8038 -6.7746 -6.7746 -6.7671 -6.7671 -6.7235 -6.7235 -4.6566 -4.6566 -4.6223 -4.6223 -4.6021 -4.6021 -4.5734 -4.5734 -4.5553 -4.5553 -4.5122 -4.5122 -0.3832 -0.3832 0.7136 0.7136 1.4970 1.4970 1.9819 1.9819 2.5661 2.5661 2.7501 2.7501 2.9558 2.9558 3.0757 3.0757 7.6399 7.6399 8.8212 8.8212 9.5779 9.5779 9.8906 9.8906 k = 0.0999 0.2900-0.0000 ( 4479 PWs) bands (ev): -9.4411 -9.4411 -9.2564 -9.2564 -6.8038 -6.8038 -6.7745 -6.7745 -6.7671 -6.7671 -6.7254 -6.7254 -4.6567 -4.6567 -4.6224 -4.6224 -4.6032 -4.6032 -4.5729 -4.5729 -4.5566 -4.5566 -4.5139 -4.5139 -0.4177 -0.4177 0.6830 0.6830 1.5168 1.5168 2.0069 2.0069 2.5807 2.5807 2.7730 2.7730 3.0037 3.0037 3.0962 3.0962 7.5594 7.5594 8.7289 8.7289 9.5352 9.5352 9.7753 9.7753 k = 0.1065 0.3094-0.0000 ( 4475 PWs) bands (ev): -9.4350 -9.4350 -9.2535 -9.2535 -6.8037 -6.8037 -6.7743 -6.7743 -6.7672 -6.7672 -6.7273 -6.7273 -4.6569 -4.6569 -4.6228 -4.6228 -4.6041 -4.6041 -4.5723 -4.5723 -4.5580 -4.5580 -4.5156 -4.5156 -0.4526 -0.4526 0.6521 0.6521 1.5380 1.5380 2.0330 2.0330 2.5954 2.5954 2.7937 2.7937 3.0500 3.0500 3.1232 3.1232 7.4770 7.4770 8.6352 8.6352 9.4901 9.4901 9.6618 9.6618 k = 0.1132 0.3287-0.0000 ( 4483 PWs) bands (ev): -9.4286 -9.4286 -9.2506 -9.2506 -6.8037 -6.8037 -6.7740 -6.7740 -6.7672 -6.7672 -6.7293 -6.7293 -4.6570 -4.6570 -4.6237 -4.6237 -4.6046 -4.6046 -4.5716 -4.5716 -4.5594 -4.5594 -4.5174 -4.5174 -0.4876 -0.4876 0.6212 0.6212 1.5606 1.5606 2.0600 2.0600 2.6101 2.6101 2.8119 2.8119 3.0928 3.0928 3.1587 3.1587 7.3933 7.3933 8.5403 8.5403 9.4429 9.4429 9.5508 9.5508 k = 0.1198 0.3480-0.0000 ( 4487 PWs) bands (ev): -9.4221 -9.4221 -9.2476 -9.2476 -6.8036 -6.8036 -6.7738 -6.7738 -6.7672 -6.7672 -6.7314 -6.7314 -4.6572 -4.6572 -4.6251 -4.6251 -4.6048 -4.6048 -4.5708 -4.5708 -4.5608 -4.5608 -4.5193 -4.5193 -0.5226 -0.5226 0.5903 0.5903 1.5844 1.5844 2.0879 2.0879 2.6248 2.6248 2.8272 2.8272 3.1316 3.1316 3.2026 3.2026 7.3090 7.3090 8.4448 8.4448 9.3934 9.3934 9.4433 9.4433 k = 0.1265 0.3674-0.0000 ( 4479 PWs) bands (ev): -9.4154 -9.4154 -9.2447 -9.2447 -6.8035 -6.8035 -6.7736 -6.7736 -6.7672 -6.7672 -6.7335 -6.7335 -4.6574 -4.6574 -4.6269 -4.6269 -4.6045 -4.6045 -4.5700 -4.5700 -4.5622 -4.5622 -4.5212 -4.5212 -0.5573 -0.5573 0.5597 0.5597 1.6094 1.6094 2.1164 2.1164 2.6393 2.6393 2.8399 2.8399 3.1689 3.1689 3.2522 3.2522 7.2247 7.2247 8.3491 8.3491 9.3292 9.3292 9.3522 9.3522 k = 0.1332 0.3867-0.0000 ( 4469 PWs) bands (ev): -9.4087 -9.4087 -9.2419 -9.2419 -6.8035 -6.8035 -6.7734 -6.7734 -6.7673 -6.7673 -6.7356 -6.7356 -4.6577 -4.6577 -4.6290 -4.6290 -4.6040 -4.6040 -4.5691 -4.5691 -4.5636 -4.5636 -4.5231 -4.5231 -0.5916 -0.5916 0.5295 0.5295 1.6355 1.6355 2.1455 2.1455 2.6536 2.6536 2.8499 2.8499 3.2068 3.2068 3.3048 3.3048 7.1410 7.1410 8.2537 8.2537 9.2314 9.2314 9.2972 9.2972 k = 0.1398 0.4060-0.0000 ( 4469 PWs) bands (ev): -9.4019 -9.4019 -9.2391 -9.2391 -6.8034 -6.8034 -6.7731 -6.7731 -6.7673 -6.7673 -6.7378 -6.7378 -4.6579 -4.6579 -4.6313 -4.6313 -4.6033 -4.6033 -4.5682 -4.5682 -4.5648 -4.5648 -4.5250 -4.5250 -0.6252 -0.6252 0.4998 0.4998 1.6626 1.6626 2.1750 2.1750 2.6674 2.6674 2.8577 2.8577 3.2460 3.2460 3.3586 3.3586 7.0586 7.0586 8.1590 8.1590 9.1332 9.1332 9.2455 9.2455 k = 0.1465 0.4254-0.0000 ( 4467 PWs) bands (ev): -9.3951 -9.3951 -9.2364 -9.2364 -6.8033 -6.8033 -6.7729 -6.7729 -6.7674 -6.7674 -6.7400 -6.7400 -4.6582 -4.6582 -4.6337 -4.6337 -4.6025 -4.6025 -4.5677 -4.5677 -4.5657 -4.5657 -4.5269 -4.5269 -0.6579 -0.6579 0.4708 0.4708 1.6905 1.6905 2.2047 2.2047 2.6807 2.6807 2.8636 2.8636 3.2868 3.2868 3.4126 3.4126 6.9781 6.9781 8.0655 8.0655 9.0384 9.0384 9.1939 9.1939 k = 0.1531 0.4447-0.0000 ( 4463 PWs) bands (ev): -9.3884 -9.3884 -9.2339 -9.2339 -6.8031 -6.8031 -6.7726 -6.7726 -6.7674 -6.7674 -6.7422 -6.7422 -4.6585 -4.6585 -4.6361 -4.6361 -4.6016 -4.6016 -4.5681 -4.5681 -4.5656 -4.5656 -4.5289 -4.5289 -0.6897 -0.6897 0.4426 0.4426 1.7192 1.7192 2.2345 2.2345 2.6934 2.6934 2.8678 2.8678 3.3288 3.3288 3.4663 3.4663 6.9000 6.9000 7.9737 7.9737 8.9474 8.9474 9.1423 9.1423 k = 0.1598 0.4640-0.0000 ( 4467 PWs) bands (ev): -9.3817 -9.3817 -9.2316 -9.2316 -6.8030 -6.8030 -6.7724 -6.7724 -6.7675 -6.7675 -6.7443 -6.7443 -4.6590 -4.6590 -4.6384 -4.6384 -4.6007 -4.6007 -4.5692 -4.5692 -4.5648 -4.5648 -4.5308 -4.5308 -0.7203 -0.7203 0.4153 0.4153 1.7485 1.7485 2.2642 2.2642 2.7052 2.7052 2.8705 2.8705 3.3720 3.3720 3.5192 3.5192 6.8251 6.8251 7.8840 7.8840 8.8605 8.8605 9.0911 9.0911 k = 0.1665 0.4834-0.0000 ( 4471 PWs) bands (ev): -9.3751 -9.3751 -9.2295 -9.2295 -6.8028 -6.8028 -6.7722 -6.7722 -6.7676 -6.7676 -6.7465 -6.7465 -4.6595 -4.6595 -4.6406 -4.6406 -4.5997 -4.5997 -4.5702 -4.5702 -4.5639 -4.5639 -4.5326 -4.5326 -0.7497 -0.7497 0.3890 0.3890 1.7783 1.7783 2.2936 2.2936 2.7162 2.7162 2.8721 2.8721 3.4157 3.4157 3.5706 3.5706 6.7541 6.7541 7.7971 7.7971 8.7780 8.7780 9.0404 9.0404 k = 0.1731 0.5027-0.0000 ( 4479 PWs) bands (ev): -9.3686 -9.3686 -9.2275 -9.2275 -6.8026 -6.8026 -6.7719 -6.7719 -6.7676 -6.7676 -6.7486 -6.7486 -4.6601 -4.6601 -4.6425 -4.6425 -4.5988 -4.5988 -4.5712 -4.5712 -4.5630 -4.5630 -4.5345 -4.5345 -0.7777 -0.7777 0.3637 0.3637 1.8084 1.8084 2.3225 2.3225 2.7261 2.7261 2.8726 2.8726 3.4598 3.4598 3.6202 3.6202 6.6874 6.6874 7.7133 7.7133 8.6999 8.6999 8.9904 8.9904 k = 0.1798 0.5221-0.0000 ( 4477 PWs) bands (ev): -9.3623 -9.3623 -9.2259 -9.2259 -6.8024 -6.8024 -6.7717 -6.7717 -6.7677 -6.7677 -6.7506 -6.7506 -4.6610 -4.6610 -4.6442 -4.6442 -4.5980 -4.5980 -4.5721 -4.5721 -4.5621 -4.5621 -4.5363 -4.5363 -0.8043 -0.8043 0.3397 0.3397 1.8388 1.8388 2.3507 2.3507 2.7349 2.7349 2.8722 2.8722 3.5038 3.5038 3.6674 3.6674 6.6260 6.6260 7.6332 7.6332 8.6265 8.6265 8.9413 8.9413 k = 0.1864 0.5414-0.0000 ( 4469 PWs) bands (ev): -9.3562 -9.3562 -9.2244 -9.2244 -6.8021 -6.8021 -6.7715 -6.7715 -6.7678 -6.7678 -6.7526 -6.7526 -4.6619 -4.6619 -4.6456 -4.6456 -4.5972 -4.5972 -4.5729 -4.5729 -4.5613 -4.5613 -4.5380 -4.5380 -0.8292 -0.8292 0.3170 0.3170 1.8692 1.8692 2.3781 2.3781 2.7424 2.7424 2.8710 2.8710 3.5473 3.5473 3.7118 3.7118 6.5702 6.5702 7.5572 7.5572 8.5580 8.5580 8.8934 8.8934 k = 0.1931 0.5607-0.0000 ( 4469 PWs) bands (ev): -9.3504 -9.3504 -9.2233 -9.2233 -6.8018 -6.8018 -6.7713 -6.7713 -6.7679 -6.7679 -6.7546 -6.7546 -4.6631 -4.6631 -4.6466 -4.6466 -4.5965 -4.5965 -4.5736 -4.5736 -4.5606 -4.5606 -4.5397 -4.5397 -0.8525 -0.8525 0.2955 0.2955 1.8995 1.8995 2.4044 2.4044 2.7486 2.7486 2.8690 2.8690 3.5900 3.5900 3.7529 3.7529 6.5210 6.5210 7.4860 7.4860 8.4945 8.4945 8.8469 8.8469 k = 0.1997 0.5801-0.0000 ( 4473 PWs) bands (ev): -9.3448 -9.3448 -9.2225 -9.2225 -6.8015 -6.8015 -6.7712 -6.7712 -6.7681 -6.7681 -6.7564 -6.7564 -4.6644 -4.6644 -4.6473 -4.6473 -4.5960 -4.5960 -4.5741 -4.5741 -4.5599 -4.5599 -4.5413 -4.5413 -0.8740 -0.8740 0.2755 0.2755 1.9297 1.9297 2.4295 2.4295 2.7534 2.7534 2.8662 2.8662 3.6315 3.6315 3.7902 3.7902 6.4787 6.4787 7.4200 7.4200 8.4361 8.4361 8.8019 8.8019 k = 0.2064 0.5994-0.0000 ( 4473 PWs) bands (ev): -9.3395 -9.3395 -9.2220 -9.2220 -6.8011 -6.8011 -6.7710 -6.7710 -6.7683 -6.7683 -6.7580 -6.7580 -4.6657 -4.6657 -4.6478 -4.6478 -4.5955 -4.5955 -4.5745 -4.5745 -4.5593 -4.5593 -4.5428 -4.5428 -0.8938 -0.8938 0.2568 0.2568 1.9594 1.9594 2.4532 2.4532 2.7567 2.7567 2.8628 2.8628 3.6712 3.6712 3.8232 3.8232 6.4441 6.4441 7.3598 7.3598 8.3831 8.3831 8.7588 8.7588 k = 0.2131 0.6187-0.0000 ( 4469 PWs) bands (ev): -9.3346 -9.3346 -9.2218 -9.2218 -6.8007 -6.8007 -6.7709 -6.7709 -6.7685 -6.7685 -6.7596 -6.7596 -4.6671 -4.6671 -4.6480 -4.6480 -4.5951 -4.5951 -4.5747 -4.5747 -4.5588 -4.5588 -4.5442 -4.5442 -0.9117 -0.9117 0.2397 0.2397 1.9886 1.9886 2.4753 2.4753 2.7586 2.7586 2.8587 2.8587 3.7089 3.7089 3.8516 3.8516 6.4175 6.4175 7.3057 7.3057 8.3356 8.3356 8.7177 8.7177 k = 0.2197 0.6381-0.0000 ( 4465 PWs) bands (ev): -9.3300 -9.3300 -9.2220 -9.2220 -6.8002 -6.8002 -6.7708 -6.7708 -6.7688 -6.7688 -6.7609 -6.7609 -4.6684 -4.6684 -4.6480 -4.6480 -4.5949 -4.5949 -4.5749 -4.5749 -4.5583 -4.5583 -4.5456 -4.5456 -0.9276 -0.9276 0.2241 0.2241 2.0171 2.0171 2.4957 2.4957 2.7589 2.7589 2.8538 2.8538 3.7440 3.7440 3.8751 3.8751 6.3995 6.3995 7.2584 7.2584 8.2937 8.2937 8.6788 8.6788 k = 0.2264 0.6574-0.0000 ( 4461 PWs) bands (ev): -9.3258 -9.3258 -9.2226 -9.2226 -6.7998 -6.7998 -6.7708 -6.7708 -6.7692 -6.7692 -6.7620 -6.7620 -4.6696 -4.6696 -4.6478 -4.6478 -4.5947 -4.5947 -4.5749 -4.5749 -4.5580 -4.5580 -4.5468 -4.5468 -0.9417 -0.9417 0.2100 0.2100 2.0447 2.0447 2.5141 2.5141 2.7577 2.7577 2.8483 2.8483 3.7763 3.7763 3.8934 3.8934 6.3901 6.3901 7.2182 7.2182 8.2577 8.2577 8.6425 8.6425 k = 0.2330 0.6767-0.0000 ( 4461 PWs) bands (ev): -9.3220 -9.3220 -9.2235 -9.2235 -6.7992 -6.7992 -6.7709 -6.7709 -6.7696 -6.7696 -6.7629 -6.7629 -4.6707 -4.6707 -4.6475 -4.6475 -4.5946 -4.5946 -4.5748 -4.5748 -4.5577 -4.5577 -4.5479 -4.5479 -0.9537 -0.9537 0.1975 0.1975 2.0713 2.0713 2.5305 2.5305 2.7550 2.7550 2.8422 2.8422 3.8052 3.8052 3.9065 3.9065 6.3895 6.3895 7.1856 7.1856 8.2275 8.2275 8.6089 8.6089 k = 0.2397 0.6961-0.0000 ( 4463 PWs) bands (ev): -9.3185 -9.3185 -9.2248 -9.2248 -6.7986 -6.7986 -6.7712 -6.7712 -6.7699 -6.7699 -6.7635 -6.7635 -4.6716 -4.6716 -4.6470 -4.6470 -4.5946 -4.5946 -4.5746 -4.5746 -4.5576 -4.5576 -4.5489 -4.5489 -0.9638 -0.9638 0.1866 0.1866 2.0968 2.0968 2.5447 2.5447 2.7508 2.7508 2.8353 2.8353 3.8304 3.8304 3.9145 3.9145 6.3975 6.3975 7.1609 7.1609 8.2035 8.2035 8.5784 8.5784 k = 0.2464 0.7154-0.0000 ( 4471 PWs) bands (ev): -9.3155 -9.3155 -9.2265 -9.2265 -6.7980 -6.7980 -6.7718 -6.7718 -6.7701 -6.7701 -6.7639 -6.7639 -4.6724 -4.6724 -4.6465 -4.6465 -4.5947 -4.5947 -4.5744 -4.5744 -4.5575 -4.5575 -4.5497 -4.5497 -0.9719 -0.9719 0.1772 0.1772 2.1210 2.1210 2.5566 2.5566 2.7451 2.7451 2.8279 2.8279 3.8517 3.8517 3.9174 3.9174 6.4139 6.4139 7.1445 7.1445 8.1856 8.1856 8.5512 8.5512 k = 0.2530 0.7347-0.0000 ( 4459 PWs) bands (ev): -9.3130 -9.3130 -9.2285 -9.2285 -6.7974 -6.7974 -6.7725 -6.7725 -6.7702 -6.7702 -6.7642 -6.7642 -4.6730 -4.6730 -4.6459 -4.6459 -4.5948 -4.5948 -4.5741 -4.5741 -4.5576 -4.5576 -4.5504 -4.5504 -0.9781 -0.9781 0.1695 0.1695 2.1437 2.1437 2.5661 2.5661 2.7378 2.7378 2.8199 2.8199 3.8686 3.8686 3.9159 3.9159 6.4382 6.4382 7.1366 7.1366 8.1739 8.1739 8.5277 8.5277 k = 0.2597 0.7541-0.0000 ( 4451 PWs) bands (ev): -9.3108 -9.3108 -9.2309 -9.2309 -6.7967 -6.7967 -6.7733 -6.7733 -6.7702 -6.7702 -6.7643 -6.7643 -4.6733 -4.6733 -4.6451 -4.6451 -4.5950 -4.5950 -4.5738 -4.5738 -4.5578 -4.5578 -4.5508 -4.5508 -0.9822 -0.9822 0.1633 0.1633 2.1648 2.1648 2.5733 2.5733 2.7290 2.7290 2.8115 2.8115 3.8809 3.8809 3.9103 3.9103 6.4697 6.4697 7.1373 7.1373 8.1685 8.1685 8.5083 8.5083 k = 0.2663 0.7734-0.0000 ( 4465 PWs) bands (ev): -9.3091 -9.3091 -9.2337 -9.2337 -6.7959 -6.7959 -6.7740 -6.7740 -6.7702 -6.7702 -6.7644 -6.7644 -4.6735 -4.6735 -4.6444 -4.6444 -4.5951 -4.5951 -4.5735 -4.5735 -4.5582 -4.5582 -4.5511 -4.5511 -0.9844 -0.9844 0.1587 0.1587 2.1843 2.1843 2.5780 2.5780 2.7186 2.7186 2.8029 2.8029 3.8873 3.8873 3.9023 3.9023 6.5077 6.5077 7.1468 7.1468 8.1694 8.1694 8.4933 8.4933 k = 0.2730 0.7927-0.0000 ( 4471 PWs) bands (ev): -9.3079 -9.3079 -9.2368 -9.2368 -6.7952 -6.7952 -6.7747 -6.7747 -6.7703 -6.7703 -6.7644 -6.7644 -4.6735 -4.6735 -4.6435 -4.6435 -4.5954 -4.5954 -4.5732 -4.5732 -4.5587 -4.5587 -4.5512 -4.5512 -0.9846 -0.9846 0.1557 0.1557 2.2021 2.2021 2.5803 2.5803 2.7066 2.7066 2.7940 2.7940 3.8824 3.8824 3.8980 3.8980 6.5511 6.5511 7.1650 7.1650 8.1765 8.1765 8.4832 8.4832 k = 0.2796 0.8121-0.0000 ( 4469 PWs) bands (ev): -9.3071 -9.3071 -9.2403 -9.2403 -6.7944 -6.7944 -6.7753 -6.7753 -6.7703 -6.7703 -6.7643 -6.7643 -4.6733 -4.6733 -4.6426 -4.6426 -4.5956 -4.5956 -4.5729 -4.5729 -4.5594 -4.5594 -4.5511 -4.5511 -0.9829 -0.9829 0.1542 0.1542 2.2180 2.2180 2.5801 2.5801 2.6931 2.6931 2.7851 2.7851 3.8680 3.8680 3.8960 3.8960 6.5991 6.5991 7.1919 7.1919 8.1897 8.1897 8.4787 8.4787 k = 0.2796 0.8121-0.0000 ( 4469 PWs) bands (ev): -9.3071 -9.3071 -9.2403 -9.2403 -6.7944 -6.7944 -6.7753 -6.7753 -6.7703 -6.7703 -6.7643 -6.7643 -4.6733 -4.6733 -4.6426 -4.6426 -4.5956 -4.5956 -4.5729 -4.5729 -4.5594 -4.5594 -4.5511 -4.5511 -0.9829 -0.9829 0.1542 0.1542 2.2180 2.2180 2.5801 2.5801 2.6931 2.6931 2.7851 2.7851 3.8680 3.8680 3.8960 3.8960 6.5991 6.5991 7.1919 7.1919 8.1897 8.1897 8.4787 8.4787 k = 0.2597 0.8121-0.0000 ( 4478 PWs) bands (ev): -9.3074 -9.3074 -9.2391 -9.2391 -6.7946 -6.7946 -6.7752 -6.7752 -6.7703 -6.7703 -6.7644 -6.7644 -4.6733 -4.6733 -4.6429 -4.6429 -4.5955 -4.5955 -4.5730 -4.5730 -4.5592 -4.5592 -4.5511 -4.5511 -0.9835 -0.9835 0.1545 0.1545 2.2145 2.2145 2.5801 2.5801 2.6977 2.6977 2.7865 2.7865 3.8731 3.8731 3.8957 3.8957 6.5867 6.5867 7.1811 7.1811 8.1832 8.1832 8.4792 8.4792 k = 0.2397 0.8121-0.0000 ( 4474 PWs) bands (ev): -9.3078 -9.3078 -9.2378 -9.2378 -6.7949 -6.7949 -6.7750 -6.7750 -6.7702 -6.7702 -6.7644 -6.7644 -4.6732 -4.6732 -4.6434 -4.6434 -4.5954 -4.5954 -4.5730 -4.5730 -4.5590 -4.5590 -4.5512 -4.5512 -0.9835 -0.9835 0.1547 0.1547 2.2135 2.2135 2.5793 2.5793 2.7023 2.7023 2.7851 2.7851 3.8776 3.8776 3.8931 3.8931 6.5813 6.5813 7.1687 7.1687 8.1741 8.1741 8.4795 8.4795 k = 0.2197 0.8121-0.0000 ( 4465 PWs) bands (ev): -9.3084 -9.3084 -9.2365 -9.2365 -6.7951 -6.7951 -6.7749 -6.7749 -6.7701 -6.7701 -6.7645 -6.7645 -4.6730 -4.6730 -4.6441 -4.6441 -4.5953 -4.5953 -4.5729 -4.5729 -4.5588 -4.5588 -4.5513 -4.5513 -0.9831 -0.9831 0.1549 0.1549 2.2151 2.2151 2.5780 2.5780 2.7063 2.7063 2.7812 2.7812 3.8810 3.8810 3.8893 3.8893 6.5825 6.5825 7.1547 7.1547 8.1628 8.1628 8.4793 8.4793 k = 0.1997 0.8121-0.0000 ( 4460 PWs) bands (ev): -9.3091 -9.3091 -9.2352 -9.2352 -6.7952 -6.7952 -6.7747 -6.7747 -6.7699 -6.7699 -6.7646 -6.7646 -4.6727 -4.6727 -4.6448 -4.6448 -4.5952 -4.5952 -4.5728 -4.5728 -4.5586 -4.5586 -4.5513 -4.5513 -0.9823 -0.9823 0.1550 0.1550 2.2194 2.2194 2.5764 2.5764 2.7093 2.7093 2.7754 2.7754 3.8790 3.8790 3.8889 3.8889 6.5901 6.5901 7.1391 7.1391 8.1496 8.1496 8.4785 8.4785 k = 0.1798 0.8121-0.0000 ( 4460 PWs) bands (ev): -9.3098 -9.3098 -9.2339 -9.2339 -6.7954 -6.7954 -6.7747 -6.7747 -6.7697 -6.7697 -6.7647 -6.7647 -4.6722 -4.6722 -4.6456 -4.6456 -4.5951 -4.5951 -4.5726 -4.5726 -4.5585 -4.5585 -4.5514 -4.5514 -0.9812 -0.9812 0.1550 0.1550 2.2260 2.2260 2.5746 2.5746 2.7103 2.7103 2.7687 2.7687 3.8720 3.8720 3.8918 3.8918 6.6036 6.6036 7.1218 7.1218 8.1350 8.1350 8.4773 8.4773 k = 0.1598 0.8121-0.0000 ( 4463 PWs) bands (ev): -9.3105 -9.3105 -9.2327 -9.2327 -6.7955 -6.7955 -6.7746 -6.7746 -6.7694 -6.7694 -6.7648 -6.7648 -4.6717 -4.6717 -4.6465 -4.6465 -4.5951 -4.5951 -4.5724 -4.5724 -4.5585 -4.5585 -4.5514 -4.5514 -0.9800 -0.9800 0.1549 0.1549 2.2350 2.2350 2.5728 2.5728 2.7082 2.7082 2.7624 2.7624 3.8637 3.8637 3.8950 3.8950 6.6223 6.6223 7.1027 7.1027 8.1196 8.1196 8.4759 8.4759 k = 0.1398 0.8121-0.0000 ( 4467 PWs) bands (ev): -9.3112 -9.3112 -9.2316 -9.2316 -6.7956 -6.7956 -6.7746 -6.7746 -6.7691 -6.7691 -6.7650 -6.7650 -4.6711 -4.6711 -4.6474 -4.6474 -4.5950 -4.5950 -4.5722 -4.5722 -4.5584 -4.5584 -4.5515 -4.5515 -0.9786 -0.9786 0.1546 0.1546 2.2458 2.2458 2.5711 2.5711 2.7017 2.7017 2.7582 2.7582 3.8550 3.8550 3.8979 3.8979 6.6456 6.6456 7.0817 7.0817 8.1038 8.1038 8.4744 8.4744 k = 0.1198 0.8121-0.0000 ( 4467 PWs) bands (ev): -9.3119 -9.3119 -9.2306 -9.2306 -6.7957 -6.7957 -6.7746 -6.7746 -6.7688 -6.7688 -6.7652 -6.7652 -4.6704 -4.6704 -4.6483 -4.6483 -4.5949 -4.5949 -4.5720 -4.5720 -4.5584 -4.5584 -4.5515 -4.5515 -0.9772 -0.9772 0.1543 0.1543 2.2581 2.2581 2.5695 2.5695 2.6909 2.6909 2.7565 2.7565 3.8465 3.8465 3.9004 3.9004 6.6728 6.6728 7.0587 7.0587 8.0883 8.0883 8.4730 8.4730 k = 0.0999 0.8121-0.0000 ( 4463 PWs) bands (ev): -9.3125 -9.3125 -9.2298 -9.2298 -6.7957 -6.7957 -6.7746 -6.7746 -6.7685 -6.7685 -6.7654 -6.7654 -4.6698 -4.6698 -4.6491 -4.6491 -4.5949 -4.5949 -4.5717 -4.5717 -4.5584 -4.5584 -4.5515 -4.5515 -0.9759 -0.9759 0.1540 0.1540 2.2713 2.2713 2.5681 2.5681 2.6774 2.6774 2.7564 2.7564 3.8387 3.8387 3.9025 3.9025 6.7032 6.7032 7.0335 7.0335 8.0737 8.0737 8.4717 8.4717 k = 0.0799 0.8121-0.0000 ( 4470 PWs) bands (ev): -9.3130 -9.3130 -9.2291 -9.2291 -6.7958 -6.7958 -6.7746 -6.7746 -6.7682 -6.7682 -6.7656 -6.7656 -4.6692 -4.6692 -4.6500 -4.6500 -4.5948 -4.5948 -4.5715 -4.5715 -4.5585 -4.5585 -4.5515 -4.5515 -0.9747 -0.9747 0.1537 0.1537 2.2845 2.2845 2.5670 2.5670 2.6629 2.6629 2.7572 2.7572 3.8318 3.8318 3.9043 3.9043 6.7360 6.7360 7.0062 7.0062 8.0607 8.0607 8.4708 8.4708 k = 0.0599 0.8121-0.0000 ( 4467 PWs) bands (ev): -9.3134 -9.3134 -9.2285 -9.2285 -6.7958 -6.7958 -6.7746 -6.7746 -6.7678 -6.7678 -6.7659 -6.7659 -4.6686 -4.6686 -4.6507 -4.6507 -4.5948 -4.5948 -4.5713 -4.5713 -4.5585 -4.5585 -4.5516 -4.5516 -0.9738 -0.9738 0.1533 0.1533 2.2967 2.2967 2.5662 2.5662 2.6490 2.6490 2.7581 2.7581 3.8262 3.8262 3.9056 3.9056 6.7704 6.7704 6.9768 6.9768 8.0498 8.0498 8.4700 8.4700 k = 0.0399 0.8121-0.0000 ( 4471 PWs) bands (ev): -9.3137 -9.3137 -9.2281 -9.2281 -6.7958 -6.7958 -6.7746 -6.7746 -6.7675 -6.7675 -6.7662 -6.7662 -4.6682 -4.6682 -4.6512 -4.6512 -4.5948 -4.5948 -4.5712 -4.5712 -4.5585 -4.5585 -4.5516 -4.5516 -0.9730 -0.9730 0.1531 0.1531 2.3068 2.3068 2.5657 2.5657 2.6374 2.6374 2.7590 2.7590 3.8220 3.8220 3.9066 3.9066 6.8058 6.8058 6.9454 6.9454 8.0417 8.0417 8.4696 8.4696 k = 0.0200 0.8121-0.0000 ( 4481 PWs) bands (ev): -9.3138 -9.3138 -9.2278 -9.2278 -6.7958 -6.7958 -6.7746 -6.7746 -6.7672 -6.7672 -6.7664 -6.7664 -4.6679 -4.6679 -4.6516 -4.6516 -4.5948 -4.5948 -4.5711 -4.5711 -4.5586 -4.5586 -4.5516 -4.5516 -0.9726 -0.9726 0.1529 0.1529 2.3136 2.3136 2.5654 2.5654 2.6297 2.6297 2.7595 2.7595 3.8194 3.8194 3.9072 3.9072 6.8412 6.8412 6.9126 6.9126 8.0367 8.0367 8.4693 8.4693 k = 0.0000 0.8121-0.0000 ( 4482 PWs) bands (ev): -9.3139 -9.3139 -9.2278 -9.2278 -6.7958 -6.7958 -6.7746 -6.7746 -6.7671 -6.7671 -6.7666 -6.7666 -4.6678 -4.6678 -4.6517 -4.6517 -4.5948 -4.5948 -4.5711 -4.5711 -4.5586 -4.5586 -4.5516 -4.5516 -0.9724 -0.9724 0.1529 0.1529 2.3159 2.3159 2.5654 2.5654 2.6269 2.6269 2.7597 2.7597 3.8186 3.8186 3.9074 3.9074 6.8703 6.8703 6.8843 6.8843 8.0350 8.0350 8.4692 8.4692 k = 0.0000 0.8121-0.0000 ( 4482 PWs) bands (ev): -9.3139 -9.3139 -9.2278 -9.2278 -6.7958 -6.7958 -6.7746 -6.7746 -6.7671 -6.7671 -6.7666 -6.7666 -4.6678 -4.6678 -4.6517 -4.6517 -4.5948 -4.5948 -4.5711 -4.5711 -4.5586 -4.5586 -4.5516 -4.5516 -0.9724 -0.9724 0.1529 0.1529 2.3159 2.3159 2.5654 2.5654 2.6269 2.6269 2.7597 2.7597 3.8186 3.8186 3.9074 3.9074 6.8703 6.8703 6.8843 6.8843 8.0350 8.0350 8.4692 8.4692 k = 0.0000 0.8121 0.0203 ( 4482 PWs) bands (ev): -9.3139 -9.3139 -9.2279 -9.2279 -6.7958 -6.7958 -6.7747 -6.7747 -6.7671 -6.7671 -6.7661 -6.7661 -4.6677 -4.6677 -4.6515 -4.6515 -4.5947 -4.5947 -4.5713 -4.5713 -4.5585 -4.5585 -4.5513 -4.5513 -0.9711 -0.9711 0.1539 0.1539 2.3145 2.3145 2.5608 2.5608 2.6285 2.6285 2.7587 2.7587 3.8127 3.8127 3.9050 3.9050 6.8735 6.8735 6.8889 6.8889 8.0373 8.0373 8.4720 8.4720 k = 0.0000 0.8121 0.0407 ( 4480 PWs) bands (ev): -9.3139 -9.3139 -9.2282 -9.2282 -6.7958 -6.7958 -6.7750 -6.7750 -6.7670 -6.7670 -6.7651 -6.7651 -4.6673 -4.6673 -4.6511 -4.6511 -4.5945 -4.5945 -4.5717 -4.5717 -4.5582 -4.5582 -4.5507 -4.5507 -0.9673 -0.9673 0.1570 0.1570 2.3101 2.3101 2.5485 2.5485 2.6322 2.6322 2.7558 2.7558 3.7951 3.7951 3.8979 3.8979 6.8831 6.8831 6.9024 6.9024 8.0442 8.0442 8.4804 8.4804 k = 0.0000 0.8121 0.0610 ( 4478 PWs) bands (ev): -9.3140 -9.3140 -9.2287 -9.2287 -6.7959 -6.7959 -6.7753 -6.7753 -6.7665 -6.7665 -6.7637 -6.7637 -4.6668 -4.6668 -4.6503 -4.6503 -4.5941 -4.5941 -4.5724 -4.5724 -4.5577 -4.5577 -4.5498 -4.5498 -0.9609 -0.9609 0.1622 0.1622 2.3026 2.3026 2.5304 2.5304 2.6359 2.6359 2.7512 2.7512 3.7664 3.7664 3.8860 3.8860 6.8992 6.8992 6.9242 6.9242 8.0553 8.0553 8.4947 8.4947 k = 0.0000 0.8121 0.0814 ( 4478 PWs) bands (ev): -9.3140 -9.3140 -9.2294 -9.2294 -6.7959 -6.7959 -6.7758 -6.7758 -6.7658 -6.7658 -6.7620 -6.7620 -4.6662 -4.6662 -4.6492 -4.6492 -4.5937 -4.5937 -4.5731 -4.5731 -4.5571 -4.5571 -4.5485 -4.5485 -0.9519 -0.9519 0.1694 0.1694 2.2920 2.2920 2.5079 2.5079 2.6384 2.6384 2.7452 2.7452 3.7274 3.7274 3.8694 3.8694 6.9216 6.9216 6.9539 6.9539 8.0704 8.0704 8.5154 8.5154 k = 0.0000 0.8121 0.1017 ( 4484 PWs) bands (ev): -9.3141 -9.3141 -9.2303 -9.2303 -6.7960 -6.7960 -6.7762 -6.7762 -6.7647 -6.7647 -6.7601 -6.7601 -4.6653 -4.6653 -4.6478 -4.6478 -4.5933 -4.5933 -4.5737 -4.5737 -4.5564 -4.5564 -4.5470 -4.5470 -0.9404 -0.9404 0.1787 0.1787 2.2781 2.2781 2.4817 2.4817 2.6393 2.6393 2.7381 2.7381 3.6789 3.6789 3.8481 3.8481 6.9497 6.9497 6.9909 6.9909 8.0890 8.0890 8.5425 8.5425 k = 0.0000 0.8121 0.1221 ( 4480 PWs) bands (ev): -9.3141 -9.3141 -9.2314 -9.2314 -6.7960 -6.7960 -6.7766 -6.7766 -6.7634 -6.7634 -6.7579 -6.7579 -4.6643 -4.6643 -4.6462 -4.6462 -4.5931 -4.5931 -4.5739 -4.5739 -4.5556 -4.5556 -4.5453 -4.5453 -0.9263 -0.9263 0.1900 0.1900 2.2608 2.2608 2.4524 2.4524 2.6385 2.6385 2.7304 2.7304 3.6219 3.6219 3.8223 3.8223 6.9827 6.9827 7.0349 7.0349 8.1110 8.1110 8.5762 8.5762 k = 0.0000 0.8121 0.1424 ( 4472 PWs) bands (ev): -9.3142 -9.3142 -9.2327 -9.2327 -6.7960 -6.7960 -6.7769 -6.7769 -6.7618 -6.7618 -6.7555 -6.7555 -4.6633 -4.6633 -4.6442 -4.6442 -4.5931 -4.5931 -4.5737 -4.5737 -4.5547 -4.5547 -4.5435 -4.5435 -0.9096 -0.9096 0.2033 0.2033 2.2400 2.2400 2.4201 2.4201 2.6357 2.6357 2.7222 2.7222 3.5575 3.5575 3.7924 3.7924 7.0198 7.0198 7.0854 7.0854 8.1363 8.1363 8.6163 8.6163 k = 0.0000 0.8121 0.1628 ( 4480 PWs) bands (ev): -9.3142 -9.3142 -9.2342 -9.2342 -6.7961 -6.7961 -6.7772 -6.7772 -6.7600 -6.7600 -6.7530 -6.7530 -4.6621 -4.6621 -4.6419 -4.6419 -4.5934 -4.5934 -4.5730 -4.5730 -4.5538 -4.5538 -4.5416 -4.5416 -0.8904 -0.8904 0.2186 0.2186 2.2156 2.2156 2.3853 2.3853 2.6311 2.6311 2.7139 2.7139 3.4868 3.4868 3.7586 3.7586 7.0600 7.0600 7.1420 7.1420 8.1649 8.1649 8.6621 8.6621 k = 0.0000 0.8121 0.1831 ( 4478 PWs) bands (ev): -9.3143 -9.3143 -9.2358 -9.2358 -6.7961 -6.7961 -6.7775 -6.7775 -6.7579 -6.7579 -6.7503 -6.7503 -4.6609 -4.6609 -4.6393 -4.6393 -4.5941 -4.5941 -4.5716 -4.5716 -4.5528 -4.5528 -4.5395 -4.5395 -0.8686 -0.8686 0.2358 0.2358 2.1878 2.1878 2.3484 2.3484 2.6246 2.6246 2.7055 2.7055 3.4110 3.4110 3.7213 3.7213 7.1026 7.1026 7.2041 7.2041 8.1974 8.1974 8.7128 8.7128 k = 0.0000 0.8121 0.2034 ( 4474 PWs) bands (ev): -9.3143 -9.3143 -9.2376 -9.2376 -6.7960 -6.7960 -6.7778 -6.7778 -6.7557 -6.7557 -6.7475 -6.7475 -4.6597 -4.6597 -4.6365 -4.6365 -4.5951 -4.5951 -4.5697 -4.5697 -4.5517 -4.5517 -4.5374 -4.5374 -0.8443 -0.8443 0.2550 0.2550 2.1567 2.1567 2.3096 2.3096 2.6162 2.6162 2.6969 2.6969 3.3314 3.3314 3.6810 3.6810 7.1468 7.1468 7.2710 7.2710 8.2338 8.2338 8.7672 8.7672 k = 0.0000 0.8121 0.2238 ( 4472 PWs) bands (ev): -9.3144 -9.3144 -9.2395 -9.2395 -6.7960 -6.7960 -6.7781 -6.7781 -6.7532 -6.7532 -6.7445 -6.7445 -4.6584 -4.6584 -4.6335 -4.6335 -4.5963 -4.5963 -4.5672 -4.5672 -4.5506 -4.5506 -4.5352 -4.5352 -0.8175 -0.8175 0.2760 0.2760 2.1225 2.1225 2.2694 2.2694 2.6056 2.6056 2.6879 2.6879 3.2494 3.2494 3.6381 3.6381 7.1920 7.1920 7.3422 7.3422 8.2746 8.2746 8.8242 8.8242 k = 0.0000 0.8121 0.2441 ( 4468 PWs) bands (ev): -9.3143 -9.3143 -9.2416 -9.2416 -6.7959 -6.7959 -6.7784 -6.7784 -6.7506 -6.7506 -6.7415 -6.7415 -4.6572 -4.6572 -4.6303 -4.6303 -4.5976 -4.5976 -4.5644 -4.5644 -4.5495 -4.5495 -4.5329 -4.5329 -0.7881 -0.7881 0.2987 0.2987 2.0856 2.0856 2.2281 2.2281 2.5928 2.5928 2.6778 2.6778 3.1666 3.1666 3.5932 3.5932 7.2376 7.2376 7.4169 7.4169 8.3198 8.3198 8.8826 8.8826 k = 0.0000 0.8121 0.2645 ( 4472 PWs) bands (ev): -9.3143 -9.3143 -9.2438 -9.2438 -6.7957 -6.7957 -6.7787 -6.7787 -6.7479 -6.7479 -6.7384 -6.7384 -4.6559 -4.6559 -4.6269 -4.6269 -4.5990 -4.5990 -4.5612 -4.5612 -4.5484 -4.5484 -4.5305 -4.5305 -0.7562 -0.7562 0.3232 0.3232 2.0463 2.0463 2.1860 2.1860 2.5773 2.5773 2.6656 2.6656 3.0852 3.0852 3.5468 3.5468 7.2833 7.2833 7.4945 7.4945 8.3694 8.3694 8.9411 8.9411 k = 0.0000 0.8121 0.2848 ( 4470 PWs) bands (ev): -9.3142 -9.3142 -9.2461 -9.2461 -6.7956 -6.7956 -6.7789 -6.7789 -6.7450 -6.7450 -6.7352 -6.7352 -4.6547 -4.6547 -4.6236 -4.6236 -4.6004 -4.6004 -4.5578 -4.5578 -4.5473 -4.5473 -4.5280 -4.5280 -0.7218 -0.7218 0.3493 0.3493 2.0050 2.0050 2.1436 2.1436 2.5586 2.5586 2.6491 2.6491 3.0082 3.0082 3.4995 3.4995 7.3289 7.3289 7.5742 7.5742 8.4233 8.4233 8.9986 8.9986 k = 0.0000 0.8121 0.3052 ( 4470 PWs) bands (ev): -9.3141 -9.3141 -9.2485 -9.2485 -6.7954 -6.7954 -6.7792 -6.7792 -6.7420 -6.7420 -6.7320 -6.7320 -4.6535 -4.6535 -4.6203 -4.6203 -4.6016 -4.6016 -4.5543 -4.5543 -4.5461 -4.5461 -4.5254 -4.5254 -0.6849 -0.6849 0.3769 0.3769 1.9620 1.9620 2.1012 2.1012 2.5362 2.5362 2.6256 2.6256 2.9395 2.9395 3.4519 3.4519 7.3742 7.3742 7.6551 7.6551 8.4809 8.4809 9.0541 9.0541 k = 0.0000 0.8121 0.3255 ( 4474 PWs) bands (ev): -9.3140 -9.3140 -9.2510 -9.2510 -6.7952 -6.7952 -6.7795 -6.7795 -6.7389 -6.7389 -6.7289 -6.7289 -4.6523 -4.6523 -4.6172 -4.6172 -4.6025 -4.6025 -4.5509 -4.5509 -4.5447 -4.5447 -4.5228 -4.5228 -0.6455 -0.6455 0.4058 0.4058 1.9177 1.9177 2.0590 2.0590 2.5088 2.5088 2.5917 2.5917 2.8841 2.8841 3.4047 3.4047 7.4193 7.4193 7.7365 7.7365 8.5419 8.5419 9.1069 9.1069 k = 0.0000 0.8121 0.3458 ( 4472 PWs) bands (ev): -9.3138 -9.3138 -9.2536 -9.2536 -6.7949 -6.7949 -6.7798 -6.7798 -6.7358 -6.7358 -6.7257 -6.7257 -4.6511 -4.6511 -4.6149 -4.6149 -4.6026 -4.6026 -4.5481 -4.5481 -4.5427 -4.5427 -4.5201 -4.5201 -0.6037 -0.6037 0.4358 0.4358 1.8723 1.8723 2.0174 2.0174 2.4741 2.4741 2.5476 2.5476 2.8447 2.8447 3.3585 3.3585 7.4642 7.4642 7.8174 7.8174 8.6055 8.6055 9.1563 9.1563 k = 0.0000 0.8121 0.3662 ( 4468 PWs) bands (ev): -9.3135 -9.3135 -9.2562 -9.2562 -6.7946 -6.7946 -6.7801 -6.7801 -6.7326 -6.7326 -6.7227 -6.7227 -4.6499 -4.6499 -4.6138 -4.6138 -4.6014 -4.6014 -4.5463 -4.5463 -4.5397 -4.5397 -4.5173 -4.5173 -0.5595 -0.5595 0.4666 0.4666 1.8261 1.8261 1.9767 1.9767 2.4278 2.4278 2.4993 2.4993 2.8201 2.8201 3.3137 3.3137 7.5090 7.5090 7.8968 7.8968 8.6708 8.6708 9.2020 9.2020 k = 0.0000 0.8121 0.3865 ( 4466 PWs) bands (ev): -9.3131 -9.3131 -9.2589 -9.2589 -6.7943 -6.7943 -6.7804 -6.7804 -6.7295 -6.7295 -6.7197 -6.7197 -4.6488 -4.6488 -4.6139 -4.6139 -4.5991 -4.5991 -4.5453 -4.5453 -4.5360 -4.5360 -4.5145 -4.5145 -0.5129 -0.5129 0.4980 0.4980 1.7794 1.7794 1.9372 1.9372 2.3679 2.3679 2.4532 2.4532 2.8061 2.8061 3.2709 3.2709 7.5539 7.5539 7.9736 7.9736 8.7372 8.7372 9.2439 9.2439 k = 0.0000 0.8121 0.4069 ( 4460 PWs) bands (ev): -9.3127 -9.3127 -9.2616 -9.2616 -6.7939 -6.7939 -6.7808 -6.7808 -6.7263 -6.7263 -6.7168 -6.7168 -4.6477 -4.6477 -4.6147 -4.6147 -4.5960 -4.5960 -4.5446 -4.5446 -4.5319 -4.5319 -4.5117 -4.5117 -0.4640 -0.4640 0.5295 0.5295 1.7325 1.7325 1.8991 1.8991 2.2993 2.2993 2.4090 2.4090 2.7993 2.7993 3.2305 3.2305 7.5990 7.5990 8.0467 8.0467 8.8038 8.8038 9.2821 9.2821 k = 0.0000 0.8121 0.4272 ( 4456 PWs) bands (ev): -9.3122 -9.3122 -9.2643 -9.2643 -6.7935 -6.7935 -6.7811 -6.7811 -6.7232 -6.7232 -6.7140 -6.7140 -4.6466 -4.6466 -4.6159 -4.6159 -4.5927 -4.5927 -4.5443 -4.5443 -4.5278 -4.5278 -4.5089 -4.5089 -0.4128 -0.4128 0.5605 0.5605 1.6857 1.6857 1.8626 1.8626 2.2279 2.2279 2.3641 2.3641 2.7970 2.7970 3.1927 3.1927 7.6443 7.6443 8.1148 8.1148 8.8698 8.8698 9.3169 9.3169 k = 0.0000 0.8121 0.4476 ( 4456 PWs) bands (ev): -9.3116 -9.3116 -9.2670 -9.2670 -6.7931 -6.7931 -6.7815 -6.7815 -6.7202 -6.7202 -6.7114 -6.7114 -4.6455 -4.6455 -4.6172 -4.6172 -4.5892 -4.5892 -4.5441 -4.5441 -4.5237 -4.5237 -4.5062 -4.5062 -0.3594 -0.3594 0.5902 0.5902 1.6395 1.6395 1.8279 1.8279 2.1573 2.1573 2.3173 2.3173 2.7978 2.7978 3.1577 3.1577 7.6901 7.6901 8.1767 8.1767 8.9347 8.9347 9.3489 9.3489 k = 0.0000 0.8121 0.4679 ( 4454 PWs) bands (ev): -9.3109 -9.3109 -9.2698 -9.2698 -6.7927 -6.7927 -6.7819 -6.7819 -6.7173 -6.7173 -6.7089 -6.7089 -4.6445 -4.6445 -4.6186 -4.6186 -4.5857 -4.5857 -4.5441 -4.5441 -4.5197 -4.5197 -4.5036 -4.5036 -0.3038 -0.3038 0.6176 0.6176 1.5945 1.5945 1.7952 1.7952 2.0900 2.0900 2.2681 2.2681 2.8009 2.8009 3.1255 3.1255 7.7362 7.7362 8.2311 8.2311 8.9978 8.9978 9.3784 9.3784 k = 0.0000 0.8121 0.4883 ( 4452 PWs) bands (ev): -9.3101 -9.3101 -9.2725 -9.2725 -6.7922 -6.7922 -6.7823 -6.7823 -6.7145 -6.7145 -6.7066 -6.7066 -4.6434 -4.6434 -4.6200 -4.6200 -4.5823 -4.5823 -4.5443 -4.5443 -4.5158 -4.5158 -4.5011 -4.5011 -0.2462 -0.2462 0.6414 0.6414 1.5520 1.5520 1.7646 1.7646 2.0272 2.0272 2.2167 2.2167 2.8056 2.8056 3.0959 3.0959 7.7827 7.7827 8.2768 8.2768 9.0588 9.0588 9.4059 9.4059 k = 0.0000 0.8121 0.5086 ( 4456 PWs) bands (ev): -9.3092 -9.3092 -9.2751 -9.2751 -6.7918 -6.7918 -6.7827 -6.7827 -6.7119 -6.7119 -6.7046 -6.7046 -4.6424 -4.6424 -4.6214 -4.6214 -4.5789 -4.5789 -4.5446 -4.5446 -4.5120 -4.5120 -4.4988 -4.4988 -0.1867 -0.1867 0.6599 0.6599 1.5134 1.5134 1.7363 1.7363 1.9701 1.9701 2.1636 2.1636 2.8116 2.8116 3.0689 3.0689 7.8296 7.8296 8.3129 8.3129 9.1175 9.1175 9.4314 9.4314 k = 0.0000 0.8121 0.5289 ( 4450 PWs) bands (ev): -9.3082 -9.3082 -9.2778 -9.2778 -6.7913 -6.7913 -6.7832 -6.7832 -6.7094 -6.7094 -6.7028 -6.7028 -4.6413 -4.6413 -4.6228 -4.6228 -4.5757 -4.5757 -4.5452 -4.5452 -4.5085 -4.5085 -4.4967 -4.4967 -0.1254 -0.1254 0.6709 0.6709 1.4807 1.4807 1.7102 1.7102 1.9192 1.9192 2.1093 2.1093 2.8188 2.8188 3.0441 3.0441 7.8768 7.8768 8.3388 8.3388 9.1736 9.1736 9.4548 9.4548 k = 0.0000 0.8121 0.5493 ( 4450 PWs) bands (ev): -9.3071 -9.3071 -9.2803 -9.2803 -6.7908 -6.7908 -6.7836 -6.7836 -6.7071 -6.7071 -6.7012 -6.7012 -4.6403 -4.6403 -4.6241 -4.6241 -4.5726 -4.5726 -4.5458 -4.5458 -4.5051 -4.5051 -4.4948 -4.4948 -0.0625 -0.0625 0.6725 0.6725 1.4562 1.4562 1.6862 1.6862 1.8749 1.8749 2.0546 2.0546 2.8268 2.8268 3.0215 3.0215 7.9240 7.9240 8.3545 8.3545 9.2270 9.2270 9.4757 9.4757 k = 0.0000 0.8121 0.5696 ( 4454 PWs) bands (ev): -9.3059 -9.3059 -9.2829 -9.2829 -6.7903 -6.7903 -6.7841 -6.7841 -6.7050 -6.7050 -6.6998 -6.6998 -4.6392 -4.6392 -4.6254 -4.6254 -4.5696 -4.5696 -4.5467 -4.5467 -4.5021 -4.5021 -4.4933 -4.4933 0.0018 0.0018 0.6630 0.6630 1.4417 1.4417 1.6644 1.6644 1.8372 1.8372 2.0003 2.0003 2.8356 2.8356 3.0006 3.0006 7.9712 7.9712 8.3601 8.3601 9.2775 9.2775 9.4933 9.4933 k = 0.0000 0.8121 0.5900 ( 4450 PWs) bands (ev): -9.3046 -9.3046 -9.2853 -9.2853 -6.7897 -6.7897 -6.7846 -6.7846 -6.7031 -6.7031 -6.6987 -6.6987 -4.6382 -4.6382 -4.6267 -4.6267 -4.5668 -4.5668 -4.5477 -4.5477 -4.4994 -4.4994 -4.4920 -4.4920 0.0673 0.0673 0.6416 0.6416 1.4382 1.4382 1.6441 1.6441 1.8063 1.8063 1.9476 1.9476 2.8452 2.8452 2.9814 2.9814 8.0179 8.0179 8.3565 8.3565 9.3246 9.3246 9.5069 9.5069 k = 0.0000 0.8121 0.6103 ( 4444 PWs) bands (ev): -9.3031 -9.3031 -9.2877 -9.2877 -6.7892 -6.7892 -6.7851 -6.7851 -6.7015 -6.7015 -6.6979 -6.6979 -4.6371 -4.6371 -4.6280 -4.6280 -4.5642 -4.5642 -4.5488 -4.5488 -4.4970 -4.4970 -4.4910 -4.4910 0.1336 0.1336 0.6087 0.6087 1.4453 1.4453 1.6250 1.6250 1.7822 1.7822 1.8976 1.8976 2.8554 2.8554 2.9636 2.9636 8.0641 8.0641 8.3444 8.3444 9.3679 9.3679 9.5156 9.5156 k = 0.0000 0.8121 0.6307 ( 4440 PWs) bands (ev): -9.3016 -9.3016 -9.2900 -9.2900 -6.7887 -6.7887 -6.7856 -6.7856 -6.7001 -6.7001 -6.6974 -6.6974 -4.6361 -4.6361 -4.6292 -4.6292 -4.5617 -4.5617 -4.5502 -4.5502 -4.4949 -4.4949 -4.4905 -4.4905 0.2003 0.2003 0.5658 0.5658 1.4614 1.4614 1.6060 1.6060 1.7653 1.7653 1.8523 1.8523 2.8663 2.8663 2.9470 2.9470 8.1091 8.1091 8.3249 8.3249 9.4067 9.4067 9.5187 9.5187 k = 0.0000 0.8121 0.6510 ( 4440 PWs) bands (ev): -9.2999 -9.2999 -9.2922 -9.2922 -6.7882 -6.7882 -6.7861 -6.7861 -6.6989 -6.6989 -6.6971 -6.6971 -4.6350 -4.6350 -4.6304 -4.6304 -4.5593 -4.5593 -4.5517 -4.5517 -4.4932 -4.4932 -4.4902 -4.4902 0.2669 0.2669 0.5149 0.5149 1.4840 1.4840 1.5857 1.5857 1.7561 1.7561 1.8136 1.8136 2.8779 2.8779 2.9314 2.9314 8.1527 8.1527 8.2992 8.2992 9.4404 9.4404 9.5158 9.5158 k = 0.0000 0.8121 0.6714 ( 4438 PWs) bands (ev): -9.2981 -9.2981 -9.2943 -9.2943 -6.7876 -6.7876 -6.7866 -6.7866 -6.6981 -6.6981 -6.6972 -6.6972 -4.6339 -4.6339 -4.6316 -4.6316 -4.5572 -4.5572 -4.5533 -4.5533 -4.4919 -4.4919 -4.4904 -4.4904 0.3326 0.3326 0.4579 0.4579 1.5104 1.5104 1.5631 1.5631 1.7554 1.7554 1.7838 1.7838 2.8901 2.8901 2.9168 2.9168 8.1941 8.1941 8.2682 8.2682 9.4686 9.4686 9.5065 9.5065 k = 0.0000 0.8121 0.6917 ( 4432 PWs) bands (ev): -9.2962 -9.2962 -9.2962 -9.2962 -6.7871 -6.7871 -6.7871 -6.7871 -6.6975 -6.6975 -6.6975 -6.6975 -4.6327 -4.6327 -4.6327 -4.6327 -4.5552 -4.5552 -4.5552 -4.5552 -4.4909 -4.4909 -4.4909 -4.4909 0.3967 0.3967 0.3967 0.3967 1.5376 1.5376 1.5376 1.5376 1.7643 1.7643 1.7643 1.7643 2.9031 2.9031 2.9031 2.9031 8.2329 8.2329 8.2329 8.2329 9.4907 9.4907 9.4907 9.4907 k = 0.0000 0.8121 0.6917 ( 4432 PWs) bands (ev): -9.2962 -9.2962 -9.2962 -9.2962 -6.7871 -6.7871 -6.7871 -6.7871 -6.6975 -6.6975 -6.6975 -6.6975 -4.6327 -4.6327 -4.6327 -4.6327 -4.5552 -4.5552 -4.5552 -4.5552 -4.4909 -4.4909 -4.4909 -4.4909 0.3967 0.3967 0.3967 0.3967 1.5376 1.5376 1.5376 1.5376 1.7643 1.7643 1.7643 1.7643 2.9031 2.9031 2.9031 2.9031 8.2329 8.2329 8.2329 8.2329 9.4907 9.4907 9.4907 9.4907 k = 0.0200 0.8121 0.6917 ( 4436 PWs) bands (ev): -9.2963 -9.2963 -9.2962 -9.2962 -6.7874 -6.7874 -6.7869 -6.7869 -6.6983 -6.6983 -6.6967 -6.6967 -4.6337 -4.6337 -4.6317 -4.6317 -4.5574 -4.5574 -4.5530 -4.5530 -4.4914 -4.4914 -4.4906 -4.4906 0.3958 0.3958 0.3966 0.3966 1.5252 1.5252 1.5383 1.5383 1.7641 1.7641 1.7791 1.7791 2.9021 2.9021 2.9035 2.9035 8.2059 8.2059 8.2571 8.2571 9.4662 9.4662 9.5154 9.5154 k = 0.0399 0.8121 0.6917 ( 4442 PWs) bands (ev): -9.2964 -9.2964 -9.2961 -9.2961 -6.7876 -6.7876 -6.7866 -6.7866 -6.6992 -6.6992 -6.6959 -6.6959 -4.6347 -4.6347 -4.6307 -4.6307 -4.5596 -4.5596 -4.5508 -4.5508 -4.4919 -4.4919 -4.4903 -4.4903 0.3939 0.3939 0.3955 0.3955 1.5051 1.5051 1.5275 1.5275 1.7785 1.7785 1.8046 1.8046 2.9007 2.9007 2.9035 2.9035 8.1768 8.1768 8.2779 8.2779 9.4427 9.4427 9.5396 9.5396 k = 0.0599 0.8121 0.6917 ( 4434 PWs) bands (ev): -9.2964 -9.2964 -9.2960 -9.2960 -6.7879 -6.7879 -6.7864 -6.7864 -6.7001 -6.7001 -6.6952 -6.6952 -4.6356 -4.6356 -4.6296 -4.6296 -4.5618 -4.5618 -4.5487 -4.5487 -4.4925 -4.4925 -4.4901 -4.4901 0.3910 0.3910 0.3933 0.3933 1.4812 1.4812 1.5090 1.5090 1.8035 1.8035 1.8369 1.8369 2.8987 2.8987 2.9030 2.9030 8.1461 8.1461 8.2949 8.2949 9.4208 9.4208 9.5626 9.5626 k = 0.0799 0.8121 0.6917 ( 4434 PWs) bands (ev): -9.2964 -9.2964 -9.2959 -9.2959 -6.7881 -6.7881 -6.7861 -6.7861 -6.7010 -6.7010 -6.6945 -6.6945 -4.6365 -4.6365 -4.6286 -4.6286 -4.5640 -4.5640 -4.5467 -4.5467 -4.4931 -4.4931 -4.4900 -4.4900 0.3871 0.3871 0.3902 0.3902 1.4564 1.4564 1.4870 1.4870 1.8349 1.8349 1.8728 1.8728 2.8964 2.8964 2.9021 2.9021 8.1144 8.1144 8.3077 8.3077 9.4010 9.4010 9.5839 9.5839 k = 0.0999 0.8121 0.6917 ( 4446 PWs) bands (ev): -9.2964 -9.2964 -9.2958 -9.2958 -6.7884 -6.7884 -6.7859 -6.7859 -6.7018 -6.7018 -6.6939 -6.6939 -4.6373 -4.6373 -4.6276 -4.6276 -4.5660 -4.5660 -4.5448 -4.5448 -4.4938 -4.4938 -4.4899 -4.4899 0.3821 0.3821 0.3859 0.3859 1.4323 1.4323 1.4642 1.4642 1.8696 1.8696 1.9107 1.9107 2.8938 2.8938 2.9010 2.9010 8.0824 8.0824 8.3162 8.3162 9.3839 9.3839 9.6031 9.6031 k = 0.1198 0.8121 0.6917 ( 4446 PWs) bands (ev): -9.2964 -9.2964 -9.2956 -9.2956 -6.7886 -6.7886 -6.7857 -6.7857 -6.7026 -6.7026 -6.6935 -6.6935 -4.6381 -4.6381 -4.6266 -4.6266 -4.5680 -4.5680 -4.5430 -4.5430 -4.4946 -4.4946 -4.4899 -4.4899 0.3760 0.3760 0.3805 0.3805 1.4101 1.4101 1.4425 1.4425 1.9058 1.9058 1.9493 1.9493 2.8910 2.8910 2.8999 2.8999 8.0506 8.0506 8.3203 8.3203 9.3697 9.3697 9.6198 9.6198 k = 0.1398 0.8121 0.6917 ( 4452 PWs) bands (ev): -9.2964 -9.2964 -9.2955 -9.2955 -6.7888 -6.7888 -6.7856 -6.7856 -6.7034 -6.7034 -6.6931 -6.6931 -4.6387 -4.6387 -4.6256 -4.6256 -4.5698 -4.5698 -4.5414 -4.5414 -4.4954 -4.4954 -4.4900 -4.4900 0.3688 0.3688 0.3739 0.3739 1.3904 1.3904 1.4227 1.4227 1.9422 1.9422 1.9875 1.9875 2.8883 2.8883 2.8988 2.8988 8.0195 8.0195 8.3202 8.3202 9.3584 9.3584 9.6340 9.6340 k = 0.1598 0.8121 0.6917 ( 4452 PWs) bands (ev): -9.2964 -9.2964 -9.2954 -9.2954 -6.7890 -6.7890 -6.7854 -6.7854 -6.7042 -6.7042 -6.6928 -6.6928 -4.6394 -4.6394 -4.6248 -4.6248 -4.5715 -4.5715 -4.5400 -4.5400 -4.4962 -4.4962 -4.4902 -4.4902 0.3605 0.3605 0.3662 0.3662 1.3736 1.3736 1.4057 1.4057 1.9777 1.9777 2.0247 2.0247 2.8858 2.8858 2.8980 2.8980 7.9897 7.9897 8.3164 8.3164 9.3498 9.3498 9.6456 9.6456 k = 0.1798 0.8121 0.6917 ( 4454 PWs) bands (ev): -9.2963 -9.2963 -9.2953 -9.2953 -6.7891 -6.7891 -6.7853 -6.7853 -6.7049 -6.7049 -6.6926 -6.6926 -4.6399 -4.6399 -4.6241 -4.6241 -4.5730 -4.5730 -4.5387 -4.5387 -4.4970 -4.4970 -4.4904 -4.4904 0.3511 0.3511 0.3574 0.3574 1.3600 1.3600 1.3918 1.3918 2.0117 2.0117 2.0600 2.0600 2.8838 2.8838 2.8977 2.8977 7.9616 7.9616 8.3093 8.3093 9.3438 9.3438 9.6545 9.6545 k = 0.1997 0.8121 0.6917 ( 4458 PWs) bands (ev): -9.2963 -9.2963 -9.2952 -9.2952 -6.7893 -6.7893 -6.7852 -6.7852 -6.7055 -6.7055 -6.6925 -6.6925 -4.6403 -4.6403 -4.6235 -4.6235 -4.5742 -4.5742 -4.5377 -4.5377 -4.4979 -4.4979 -4.4908 -4.4908 0.3407 0.3407 0.3475 0.3475 1.3499 1.3499 1.3812 1.3812 2.0434 2.0434 2.0930 2.0930 2.8825 2.8825 2.8981 2.8981 7.9357 7.9357 8.2995 8.2995 9.3400 9.3400 9.6611 9.6611 k = 0.2197 0.8121 0.6917 ( 4452 PWs) bands (ev): -9.2962 -9.2962 -9.2951 -9.2951 -6.7894 -6.7894 -6.7852 -6.7852 -6.7060 -6.7060 -6.6925 -6.6925 -4.6407 -4.6407 -4.6230 -4.6230 -4.5751 -4.5751 -4.5369 -4.5369 -4.4987 -4.4987 -4.4911 -4.4911 0.3294 0.3294 0.3366 0.3366 1.3433 1.3433 1.3742 1.3742 2.0722 2.0722 2.1230 2.1230 2.8822 2.8822 2.8995 2.8995 7.9122 7.9122 8.2877 8.2877 9.3381 9.3381 9.6654 9.6654 k = 0.2397 0.8121 0.6917 ( 4458 PWs) bands (ev): -9.2962 -9.2962 -9.2951 -9.2951 -6.7895 -6.7895 -6.7852 -6.7852 -6.7065 -6.7065 -6.6927 -6.6927 -4.6410 -4.6410 -4.6228 -4.6228 -4.5758 -4.5758 -4.5363 -4.5363 -4.4994 -4.4994 -4.4916 -4.4916 0.3173 0.3173 0.3248 0.3248 1.3403 1.3403 1.3707 1.3707 2.0977 2.0977 2.1495 2.1495 2.8830 2.8830 2.9019 2.9019 7.8917 7.8917 8.2746 8.2746 9.3376 9.3376 9.6675 9.6675 k = 0.2597 0.8121 0.6917 ( 4462 PWs) bands (ev): -9.2961 -9.2961 -9.2950 -9.2950 -6.7896 -6.7896 -6.7852 -6.7852 -6.7069 -6.7069 -6.6929 -6.6929 -4.6412 -4.6412 -4.6227 -4.6227 -4.5761 -4.5761 -4.5361 -4.5361 -4.5001 -4.5001 -4.4921 -4.4921 0.3045 0.3045 0.3122 0.3122 1.3407 1.3407 1.3706 1.3706 2.1195 2.1195 2.1722 2.1722 2.8850 2.8850 2.9055 2.9055 7.8743 7.8743 8.2607 8.2607 9.3384 9.3384 9.6677 9.6677 k = 0.2796 0.8121 0.6917 ( 4462 PWs) bands (ev): -9.2961 -9.2961 -9.2950 -9.2950 -6.7897 -6.7897 -6.7852 -6.7852 -6.7072 -6.7072 -6.6933 -6.6933 -4.6413 -4.6413 -4.6228 -4.6228 -4.5761 -4.5761 -4.5362 -4.5362 -4.5007 -4.5007 -4.4926 -4.4926 0.2912 0.2912 0.2990 0.2990 1.3444 1.3444 1.3740 1.3740 2.1373 2.1373 2.1906 2.1906 2.8884 2.8884 2.9103 2.9103 7.8604 7.8604 8.2466 8.2466 9.3401 9.3401 9.6661 9.6661 k = 0.2796 0.8121 0.6917 ( 4462 PWs) bands (ev): -9.2961 -9.2961 -9.2950 -9.2950 -6.7897 -6.7897 -6.7852 -6.7852 -6.7072 -6.7072 -6.6933 -6.6933 -4.6413 -4.6413 -4.6228 -4.6228 -4.5761 -4.5761 -4.5362 -4.5362 -4.5007 -4.5007 -4.4926 -4.4926 0.2912 0.2912 0.2990 0.2990 1.3444 1.3444 1.3740 1.3740 2.1373 2.1373 2.1906 2.1906 2.8884 2.8884 2.9103 2.9103 7.8604 7.8604 8.2466 8.2466 9.3401 9.3401 9.6661 9.6661 k = 0.2730 0.7927 0.6917 ( 4454 PWs) bands (ev): -9.2962 -9.2962 -9.2950 -9.2950 -6.7896 -6.7896 -6.7850 -6.7850 -6.7065 -6.7065 -6.6920 -6.6920 -4.6411 -4.6411 -4.6222 -4.6222 -4.5766 -4.5766 -4.5355 -4.5355 -4.4992 -4.4992 -4.4909 -4.4909 0.3309 0.3309 0.3384 0.3384 1.3308 1.3308 1.3614 1.3614 2.0893 2.0893 2.1409 2.1409 2.8762 2.8762 2.8941 2.8941 7.8972 7.8972 8.2888 8.2888 9.3339 9.3339 9.6730 9.6730 k = 0.2663 0.7734 0.6917 ( 4446 PWs) bands (ev): -9.2964 -9.2964 -9.2951 -9.2951 -6.7895 -6.7895 -6.7848 -6.7848 -6.7061 -6.7061 -6.6910 -6.6910 -4.6409 -4.6409 -4.6216 -4.6216 -4.5772 -4.5772 -4.5349 -4.5349 -4.4980 -4.4980 -4.4895 -4.4895 0.3643 0.3643 0.3716 0.3716 1.3244 1.3244 1.3561 1.3561 2.0450 2.0450 2.0950 2.0950 2.8651 2.8651 2.8792 2.8792 7.9316 7.9316 8.3273 8.3273 9.3285 9.3285 9.6783 9.6783 k = 0.2597 0.7541 0.6917 ( 4446 PWs) bands (ev): -9.2966 -9.2966 -9.2952 -9.2952 -6.7894 -6.7894 -6.7847 -6.7847 -6.7058 -6.7058 -6.6902 -6.6902 -4.6407 -4.6407 -4.6210 -4.6210 -4.5778 -4.5778 -4.5344 -4.5344 -4.4972 -4.4972 -4.4885 -4.4885 0.3901 0.3901 0.3971 0.3971 1.3262 1.3262 1.3591 1.3591 2.0049 2.0049 2.0534 2.0534 2.8548 2.8548 2.8655 2.8655 7.9637 7.9637 8.3619 8.3619 9.3239 9.3239 9.6818 9.6818 k = 0.2530 0.7347 0.6917 ( 4458 PWs) bands (ev): -9.2969 -9.2969 -9.2954 -9.2954 -6.7893 -6.7893 -6.7845 -6.7845 -6.7059 -6.7059 -6.6896 -6.6896 -4.6405 -4.6405 -4.6205 -4.6205 -4.5784 -4.5784 -4.5340 -4.5340 -4.4968 -4.4968 -4.4878 -4.4878 0.4073 0.4073 0.4140 0.4140 1.3369 1.3369 1.3708 1.3708 1.9696 1.9696 2.0166 2.0166 2.8455 2.8455 2.8527 2.8527 7.9935 7.9935 8.3924 8.3924 9.3203 9.3203 9.6834 9.6834 k = 0.2464 0.7154 0.6917 ( 4464 PWs) bands (ev): -9.2972 -9.2972 -9.2956 -9.2956 -6.7893 -6.7893 -6.7844 -6.7844 -6.7061 -6.7061 -6.6893 -6.6893 -4.6404 -4.6404 -4.6201 -4.6201 -4.5791 -4.5791 -4.5337 -4.5337 -4.4967 -4.4967 -4.4874 -4.4874 0.4154 0.4154 0.4218 0.4218 1.3567 1.3567 1.3916 1.3916 1.9396 1.9396 1.9850 1.9850 2.8371 2.8371 2.8409 2.8409 8.0210 8.0210 8.4188 8.4188 9.3176 9.3176 9.6830 9.6830 k = 0.2397 0.6961 0.6917 ( 4468 PWs) bands (ev): -9.2976 -9.2976 -9.2958 -9.2958 -6.7892 -6.7892 -6.7842 -6.7842 -6.7066 -6.7066 -6.6893 -6.6893 -4.6402 -4.6402 -4.6198 -4.6198 -4.5797 -4.5797 -4.5335 -4.5335 -4.4971 -4.4971 -4.4874 -4.4874 0.4142 0.4142 0.4205 0.4205 1.3853 1.3853 1.4209 1.4209 1.9151 1.9151 1.9589 1.9589 2.8297 2.8297 2.8303 2.8303 8.0463 8.0463 8.4411 8.4411 9.3160 9.3160 9.6805 9.6805 k = 0.2330 0.6767 0.6917 ( 4464 PWs) bands (ev): -9.2980 -9.2980 -9.2961 -9.2961 -6.7892 -6.7892 -6.7841 -6.7841 -6.7073 -6.7073 -6.6894 -6.6894 -4.6400 -4.6400 -4.6196 -4.6196 -4.5804 -4.5804 -4.5333 -4.5333 -4.4977 -4.4977 -4.4876 -4.4876 0.4044 0.4044 0.4105 0.4105 1.4216 1.4216 1.4577 1.4577 1.8968 1.8968 1.9386 1.9386 2.8207 2.8207 2.8236 2.8236 8.0693 8.0693 8.4591 8.4591 9.3155 9.3155 9.6758 9.6758 k = 0.2264 0.6574 0.6917 ( 4460 PWs) bands (ev): -9.2985 -9.2985 -9.2965 -9.2965 -6.7892 -6.7892 -6.7840 -6.7840 -6.7082 -6.7082 -6.6899 -6.6899 -4.6398 -4.6398 -4.6194 -4.6194 -4.5811 -4.5811 -4.5333 -4.5333 -4.4988 -4.4988 -4.4882 -4.4882 0.3870 0.3870 0.3929 0.3929 1.4643 1.4643 1.5005 1.5005 1.8849 1.8849 1.9242 1.9242 2.8125 2.8125 2.8187 2.8187 8.0902 8.0902 8.4729 8.4729 9.3162 9.3162 9.6688 9.6688 k = 0.2197 0.6381 0.6917 ( 4462 PWs) bands (ev): -9.2990 -9.2990 -9.2969 -9.2969 -6.7892 -6.7892 -6.7839 -6.7839 -6.7093 -6.7093 -6.6905 -6.6905 -4.6397 -4.6397 -4.6193 -4.6193 -4.5818 -4.5818 -4.5333 -4.5333 -4.5002 -4.5002 -4.4892 -4.4892 0.3630 0.3630 0.3688 0.3688 1.5116 1.5116 1.5474 1.5474 1.8801 1.8801 1.9161 1.9161 2.8058 2.8058 2.8155 2.8155 8.1088 8.1088 8.4824 8.4824 9.3180 9.3180 9.6596 9.6596 k = 0.2131 0.6187 0.6917 ( 4462 PWs) bands (ev): -9.2995 -9.2995 -9.2973 -9.2973 -6.7892 -6.7892 -6.7837 -6.7837 -6.7106 -6.7106 -6.6914 -6.6914 -4.6395 -4.6395 -4.6193 -4.6193 -4.5826 -4.5826 -4.5335 -4.5335 -4.5020 -4.5020 -4.4904 -4.4904 0.3336 0.3336 0.3393 0.3393 1.5619 1.5619 1.5959 1.5959 1.8831 1.8831 1.9144 1.9144 2.8008 2.8008 2.8143 2.8143 8.1253 8.1253 8.4877 8.4877 9.3211 9.3211 9.6480 9.6480 k = 0.2064 0.5994 0.6917 ( 4456 PWs) bands (ev): -9.3001 -9.3001 -9.2978 -9.2978 -6.7892 -6.7892 -6.7836 -6.7836 -6.7121 -6.7121 -6.6926 -6.6926 -4.6393 -4.6393 -4.6194 -4.6194 -4.5833 -4.5833 -4.5337 -4.5337 -4.5041 -4.5041 -4.4918 -4.4918 0.3000 0.3000 0.3055 0.3055 1.6131 1.6131 1.6436 1.6436 1.8948 1.8948 1.9194 1.9194 2.7981 2.7981 2.8154 2.8154 8.1396 8.1396 8.4889 8.4889 9.3253 9.3253 9.6341 9.6341 k = 0.1997 0.5801 0.6917 ( 4452 PWs) bands (ev): -9.3007 -9.3007 -9.2983 -9.2983 -6.7893 -6.7893 -6.7836 -6.7836 -6.7138 -6.7138 -6.6939 -6.6939 -4.6392 -4.6392 -4.6196 -4.6196 -4.5840 -4.5840 -4.5340 -4.5340 -4.5065 -4.5065 -4.4936 -4.4936 0.2632 0.2632 0.2685 0.2685 1.6634 1.6634 1.6878 1.6878 1.9164 1.9164 1.9315 1.9315 2.7981 2.7981 2.8194 2.8194 8.1515 8.1515 8.4860 8.4860 9.3308 9.3308 9.6180 9.6180 k = 0.1931 0.5607 0.6917 ( 4460 PWs) bands (ev): -9.3013 -9.3013 -9.2989 -9.2989 -6.7893 -6.7893 -6.7835 -6.7835 -6.7156 -6.7156 -6.6955 -6.6955 -4.6390 -4.6390 -4.6199 -4.6199 -4.5847 -4.5847 -4.5345 -4.5345 -4.5092 -4.5092 -4.4956 -4.4956 0.2238 0.2238 0.2290 0.2290 1.7110 1.7110 1.7271 1.7271 1.9478 1.9478 1.9508 1.9508 2.8012 2.8012 2.8268 2.8268 8.1612 8.1612 8.4791 8.4791 9.3374 9.3374 9.5996 9.5996 k = 0.1864 0.5414 0.6917 ( 4462 PWs) bands (ev): -9.3020 -9.3020 -9.2995 -9.2995 -6.7894 -6.7894 -6.7834 -6.7834 -6.7177 -6.7177 -6.6973 -6.6973 -4.6388 -4.6388 -4.6203 -4.6203 -4.5854 -4.5854 -4.5350 -4.5350 -4.5122 -4.5122 -4.4978 -4.4978 0.1828 0.1828 0.1877 0.1877 1.7548 1.7548 1.7612 1.7612 1.9770 1.9770 1.9875 1.9875 2.8084 2.8084 2.8382 2.8382 8.1684 8.1684 8.4682 8.4682 9.3451 9.3451 9.5789 9.5789 k = 0.1798 0.5221 0.6917 ( 4458 PWs) bands (ev): -9.3027 -9.3027 -9.3001 -9.3001 -6.7895 -6.7895 -6.7833 -6.7833 -6.7198 -6.7198 -6.6992 -6.6992 -4.6386 -4.6386 -4.6208 -4.6208 -4.5861 -4.5861 -4.5356 -4.5356 -4.5154 -4.5154 -4.5002 -4.5002 0.1406 0.1406 0.1453 0.1453 1.7916 1.7916 1.7945 1.7945 2.0089 2.0089 2.0324 2.0324 2.8202 2.8202 2.8543 2.8543 8.1730 8.1730 8.4533 8.4533 9.3539 9.3539 9.5561 9.5561 k = 0.1731 0.5027 0.6917 ( 4462 PWs) bands (ev): -9.3034 -9.3034 -9.3008 -9.3008 -6.7895 -6.7895 -6.7833 -6.7833 -6.7221 -6.7221 -6.7013 -6.7013 -4.6385 -4.6385 -4.6214 -4.6214 -4.5868 -4.5868 -4.5364 -4.5364 -4.5188 -4.5188 -4.5027 -4.5027 0.0979 0.0979 0.1024 0.1024 1.8200 1.8200 1.8305 1.8305 2.0445 2.0445 2.0793 2.0793 2.8376 2.8376 2.8758 2.8758 8.1748 8.1748 8.4346 8.4346 9.3637 9.3637 9.5314 9.5314 k = 0.1665 0.4834 0.6917 ( 4450 PWs) bands (ev): -9.3041 -9.3041 -9.3015 -9.3015 -6.7896 -6.7896 -6.7832 -6.7832 -6.7245 -6.7245 -6.7036 -6.7036 -4.6383 -4.6383 -4.6221 -4.6221 -4.5875 -4.5875 -4.5373 -4.5373 -4.5223 -4.5223 -4.5054 -4.5054 0.0549 0.0549 0.0592 0.0592 1.8478 1.8478 1.8641 1.8641 2.0816 2.0816 2.1254 2.1254 2.8614 2.8614 2.9032 2.9032 8.1737 8.1737 8.4121 8.4121 9.3745 9.3745 9.5048 9.5048 k = 0.1598 0.4640 0.6917 ( 4442 PWs) bands (ev): -9.3049 -9.3049 -9.3022 -9.3022 -6.7897 -6.7897 -6.7831 -6.7831 -6.7270 -6.7270 -6.7060 -6.7060 -4.6381 -4.6381 -4.6228 -4.6228 -4.5881 -4.5881 -4.5384 -4.5384 -4.5259 -4.5259 -4.5083 -4.5083 0.0121 0.0121 0.0162 0.0162 1.8755 1.8755 1.8960 1.8960 2.1182 2.1182 2.1688 2.1688 2.8922 2.8922 2.9368 2.9368 8.1694 8.1694 8.3859 8.3859 9.3862 9.3862 9.4767 9.4767 k = 0.1531 0.4447 0.6917 ( 4438 PWs) bands (ev): -9.3056 -9.3056 -9.3030 -9.3030 -6.7898 -6.7898 -6.7831 -6.7831 -6.7296 -6.7296 -6.7086 -6.7086 -4.6379 -4.6379 -4.6237 -4.6237 -4.5887 -4.5887 -4.5398 -4.5398 -4.5294 -4.5294 -4.5112 -4.5112 -0.0302 -0.0302 -0.0263 -0.0263 1.9033 1.9033 1.9268 1.9268 2.1531 2.1531 2.2084 2.2084 2.9300 2.9300 2.9767 2.9767 8.1616 8.1616 8.3559 8.3559 9.3986 9.3986 9.4474 9.4474 k = 0.1465 0.4254 0.6917 ( 4446 PWs) bands (ev): -9.3064 -9.3064 -9.3037 -9.3037 -6.7899 -6.7899 -6.7830 -6.7830 -6.7322 -6.7322 -6.7113 -6.7113 -4.6377 -4.6377 -4.6246 -4.6246 -4.5893 -4.5893 -4.5417 -4.5417 -4.5325 -4.5325 -4.5141 -4.5141 -0.0718 -0.0718 -0.0680 -0.0680 1.9312 1.9312 1.9566 1.9566 2.1860 2.1860 2.2439 2.2439 2.9749 2.9749 3.0226 3.0226 8.1502 8.1502 8.3224 8.3224 9.4117 9.4117 9.4174 9.4174 k = 0.1398 0.4060 0.6917 ( 4456 PWs) bands (ev): -9.3071 -9.3071 -9.3045 -9.3045 -6.7900 -6.7900 -6.7829 -6.7829 -6.7349 -6.7349 -6.7140 -6.7140 -4.6374 -4.6374 -4.6256 -4.6256 -4.5898 -4.5898 -4.5443 -4.5443 -4.5351 -4.5351 -4.5172 -4.5172 -0.1124 -0.1124 -0.1088 -0.1088 1.9587 1.9587 1.9851 1.9851 2.2171 2.2171 2.2758 2.2758 3.0261 3.0261 3.0738 3.0738 8.1347 8.1347 8.2853 8.2853 9.3873 9.3873 9.4254 9.4254 k = 0.1332 0.3867 0.6917 ( 4460 PWs) bands (ev): -9.3079 -9.3079 -9.3053 -9.3053 -6.7901 -6.7901 -6.7829 -6.7829 -6.7376 -6.7376 -6.7168 -6.7168 -4.6372 -4.6372 -4.6267 -4.6267 -4.5904 -4.5904 -4.5475 -4.5475 -4.5371 -4.5371 -4.5202 -4.5202 -0.1519 -0.1519 -0.1485 -0.1485 1.9853 1.9853 2.0117 2.0117 2.2470 2.2470 2.3050 2.3050 3.0826 3.0826 3.1297 3.1297 8.1152 8.1152 8.2450 8.2450 9.3575 9.3575 9.4393 9.4393 k = 0.1265 0.3674 0.6917 ( 4456 PWs) bands (ev): -9.3087 -9.3087 -9.3061 -9.3061 -6.7902 -6.7902 -6.7828 -6.7828 -6.7403 -6.7403 -6.7197 -6.7197 -4.6370 -4.6370 -4.6278 -4.6278 -4.5909 -4.5909 -4.5513 -4.5513 -4.5387 -4.5387 -4.5232 -4.5232 -0.1901 -0.1901 -0.1868 -0.1868 2.0104 2.0104 2.0359 2.0359 2.2768 2.2768 2.3326 2.3326 3.1433 3.1433 3.1892 3.1892 8.0913 8.0913 8.2015 8.2015 9.3287 9.3287 9.4533 9.4533 k = 0.1198 0.3480 0.6917 ( 4468 PWs) bands (ev): -9.3094 -9.3094 -9.3069 -9.3069 -6.7903 -6.7903 -6.7827 -6.7827 -6.7430 -6.7430 -6.7226 -6.7226 -4.6368 -4.6368 -4.6290 -4.6290 -4.5914 -4.5914 -4.5553 -4.5553 -4.5401 -4.5401 -4.5261 -4.5261 -0.2268 -0.2268 -0.2237 -0.2237 2.0332 2.0332 2.0570 2.0570 2.3075 2.3075 2.3598 2.3598 3.2070 3.2070 3.2513 3.2513 8.0632 8.0632 8.1552 8.1552 9.3015 9.3015 9.4669 9.4669 k = 0.1132 0.3287 0.6917 ( 4464 PWs) bands (ev): -9.3101 -9.3101 -9.3077 -9.3077 -6.7904 -6.7904 -6.7827 -6.7827 -6.7456 -6.7456 -6.7255 -6.7255 -4.6367 -4.6367 -4.6301 -4.6301 -4.5919 -4.5919 -4.5593 -4.5593 -4.5413 -4.5413 -4.5290 -4.5290 -0.2620 -0.2620 -0.2590 -0.2590 2.0533 2.0533 2.0746 2.0746 2.3397 2.3397 2.3877 2.3877 3.2726 3.2726 3.3150 3.3150 8.0309 8.0309 8.1063 8.1063 9.2764 9.2764 9.4797 9.4797 k = 0.1065 0.3094 0.6917 ( 4464 PWs) bands (ev): -9.3108 -9.3108 -9.3085 -9.3085 -6.7905 -6.7905 -6.7826 -6.7826 -6.7482 -6.7482 -6.7285 -6.7285 -4.6365 -4.6365 -4.6314 -4.6314 -4.5923 -4.5923 -4.5634 -4.5634 -4.5424 -4.5424 -4.5318 -4.5318 -0.2955 -0.2955 -0.2927 -0.2927 2.0703 2.0703 2.0886 2.0886 2.3739 2.3739 2.4170 2.4170 3.3390 3.3390 3.3795 3.3795 7.9947 7.9947 8.0554 8.0554 9.2539 9.2539 9.4907 9.4907 k = 0.0999 0.2900 0.6917 ( 4464 PWs) bands (ev): -9.3115 -9.3115 -9.3092 -9.3092 -6.7905 -6.7905 -6.7825 -6.7825 -6.7507 -6.7507 -6.7314 -6.7314 -4.6364 -4.6364 -4.6326 -4.6326 -4.5928 -4.5928 -4.5674 -4.5674 -4.5436 -4.5436 -4.5344 -4.5344 -0.3273 -0.3273 -0.3246 -0.3246 2.0841 2.0841 2.0993 2.0993 2.4099 2.4099 2.4480 2.4480 3.4053 3.4053 3.4438 3.4438 7.9551 7.9551 8.0029 8.0029 9.2343 9.2343 9.4988 9.4988 k = 0.0932 0.2707 0.6917 ( 4464 PWs) bands (ev): -9.3122 -9.3122 -9.3100 -9.3100 -6.7906 -6.7906 -6.7825 -6.7825 -6.7531 -6.7531 -6.7342 -6.7342 -4.6363 -4.6363 -4.6338 -4.6338 -4.5932 -4.5932 -4.5713 -4.5713 -4.5446 -4.5446 -4.5370 -4.5370 -0.3572 -0.3572 -0.3547 -0.3547 2.0948 2.0948 2.1070 2.1070 2.4474 2.4474 2.4807 2.4807 3.4708 3.4708 3.5072 3.5072 7.9125 7.9125 7.9494 7.9494 9.2176 9.2176 9.5023 9.5023 k = 0.0866 0.2514 0.6917 ( 4468 PWs) bands (ev): -9.3128 -9.3128 -9.3107 -9.3107 -6.7906 -6.7906 -6.7824 -6.7824 -6.7554 -6.7554 -6.7370 -6.7370 -4.6363 -4.6363 -4.6349 -4.6349 -4.5936 -4.5936 -4.5750 -4.5750 -4.5457 -4.5457 -4.5394 -4.5394 -0.3853 -0.3853 -0.3830 -0.3830 2.1027 2.1027 2.1123 2.1123 2.4858 2.4858 2.5147 2.5147 3.5347 3.5347 3.5690 3.5690 7.8677 7.8677 7.8954 7.8954 9.2040 9.2040 9.4996 9.4996 k = 0.0799 0.2320 0.6917 ( 4456 PWs) bands (ev): -9.3134 -9.3134 -9.3114 -9.3114 -6.7906 -6.7906 -6.7824 -6.7824 -6.7575 -6.7575 -6.7398 -6.7398 -4.6363 -4.6363 -4.6361 -4.6361 -4.5940 -4.5940 -4.5785 -4.5785 -4.5467 -4.5467 -4.5416 -4.5416 -0.4115 -0.4115 -0.4093 -0.4093 2.1084 2.1084 2.1158 2.1158 2.5247 2.5247 2.5496 2.5496 3.5964 3.5964 3.6286 3.6286 7.8216 7.8216 7.8417 7.8417 9.1935 9.1935 9.4898 9.4898 k = 0.0732 0.2127 0.6917 ( 4462 PWs) bands (ev): -9.3139 -9.3139 -9.3121 -9.3121 -6.7905 -6.7905 -6.7824 -6.7824 -6.7595 -6.7595 -6.7425 -6.7425 -4.6371 -4.6371 -4.6364 -4.6364 -4.5944 -4.5944 -4.5817 -4.5817 -4.5477 -4.5477 -4.5437 -4.5437 -0.4357 -0.4357 -0.4336 -0.4336 2.1121 2.1121 2.1177 2.1177 2.5632 2.5632 2.5848 2.5848 3.6553 3.6553 3.6853 3.6853 7.7748 7.7748 7.7888 7.7888 9.1859 9.1859 9.4736 9.4736 k = 0.0666 0.1934 0.6917 ( 4462 PWs) bands (ev): -9.3144 -9.3144 -9.3127 -9.3127 -6.7905 -6.7905 -6.7825 -6.7825 -6.7612 -6.7612 -6.7450 -6.7450 -4.6381 -4.6381 -4.6366 -4.6366 -4.5948 -4.5948 -4.5846 -4.5846 -4.5486 -4.5486 -4.5456 -4.5456 -0.4578 -0.4578 -0.4560 -0.4560 2.1144 2.1144 2.1185 2.1185 2.6010 2.6010 2.6195 2.6195 3.7109 3.7109 3.7387 3.7387 7.7284 7.7284 7.7376 7.7376 9.1810 9.1810 9.4530 9.4530 k = 0.0599 0.1740 0.6917 ( 4466 PWs) bands (ev): -9.3149 -9.3149 -9.3133 -9.3133 -6.7904 -6.7904 -6.7826 -6.7826 -6.7627 -6.7627 -6.7475 -6.7475 -4.6390 -4.6390 -4.6369 -4.6369 -4.5952 -4.5952 -4.5873 -4.5873 -4.5495 -4.5495 -4.5473 -4.5473 -0.4780 -0.4780 -0.4763 -0.4763 2.1155 2.1155 2.1186 2.1186 2.6373 2.6373 2.6532 2.6532 3.7627 3.7627 3.7882 3.7882 7.6832 7.6832 7.6887 7.6887 9.1787 9.1787 9.4299 9.4299 k = 0.0533 0.1547 0.6917 ( 4464 PWs) bands (ev): -9.3153 -9.3153 -9.3139 -9.3139 -6.7902 -6.7902 -6.7828 -6.7828 -6.7639 -6.7639 -6.7499 -6.7499 -4.6398 -4.6398 -4.6372 -4.6372 -4.5956 -4.5956 -4.5896 -4.5896 -4.5503 -4.5503 -4.5488 -4.5488 -0.4960 -0.4960 -0.4945 -0.4945 2.1159 2.1159 2.1181 2.1181 2.6716 2.6716 2.6852 2.6852 3.8104 3.8104 3.8335 3.8335 7.6400 7.6400 7.6428 7.6428 9.1788 9.1788 9.4060 9.4060 k = 0.0466 0.1353 0.6917 ( 4472 PWs) bands (ev): -9.3157 -9.3157 -9.3144 -9.3144 -6.7900 -6.7900 -6.7831 -6.7831 -6.7649 -6.7649 -6.7521 -6.7521 -4.6405 -4.6405 -4.6377 -4.6377 -4.5960 -4.5960 -4.5916 -4.5916 -4.5511 -4.5511 -4.5501 -4.5501 -0.5120 -0.5120 -0.5106 -0.5106 2.1157 2.1157 2.1173 2.1173 2.7034 2.7034 2.7149 2.7149 3.8536 3.8536 3.8741 3.8741 7.5997 7.5997 7.6006 7.6006 9.1810 9.1810 9.3822 9.3822 k = 0.0399 0.1160 0.6917 ( 4476 PWs) bands (ev): -9.3160 -9.3160 -9.3149 -9.3149 -6.7898 -6.7898 -6.7835 -6.7835 -6.7655 -6.7655 -6.7542 -6.7542 -4.6410 -4.6410 -4.6382 -4.6382 -4.5963 -4.5963 -4.5933 -4.5933 -4.5518 -4.5518 -4.5512 -4.5512 -0.5259 -0.5259 -0.5247 -0.5247 2.1152 2.1152 2.1163 2.1163 2.7323 2.7323 2.7418 2.7418 3.8919 3.8919 3.9098 3.9098 7.5626 7.5626 7.5630 7.5630 9.1853 9.1853 9.3591 9.3591 k = 0.0333 0.0967 0.6917 ( 4476 PWs) bands (ev): -9.3162 -9.3162 -9.3153 -9.3153 -6.7895 -6.7895 -6.7840 -6.7840 -6.7659 -6.7659 -6.7562 -6.7562 -4.6414 -4.6414 -4.6387 -4.6387 -4.5967 -4.5967 -4.5946 -4.5946 -4.5524 -4.5524 -4.5521 -4.5521 -0.5376 -0.5376 -0.5366 -0.5366 2.1146 2.1146 2.1152 2.1152 2.7576 2.7576 2.7654 2.7654 3.9250 3.9250 3.9402 3.9402 7.5295 7.5295 7.5307 7.5307 9.1914 9.1914 9.3370 9.3370 k = 0.0266 0.0773 0.6917 ( 4476 PWs) bands (ev): -9.3164 -9.3164 -9.3157 -9.3157 -6.7891 -6.7891 -6.7846 -6.7846 -6.7659 -6.7659 -6.7580 -6.7580 -4.6417 -4.6417 -4.6393 -4.6393 -4.5970 -4.5970 -4.5957 -4.5957 -4.5530 -4.5530 -4.5529 -4.5529 -0.5472 -0.5472 -0.5464 -0.5464 2.1138 2.1138 2.1143 2.1143 2.7791 2.7791 2.7853 2.7853 3.9528 3.9528 3.9651 3.9651 7.5018 7.5018 7.5032 7.5032 9.1993 9.1993 9.3162 9.3162 k = 0.0200 0.0580 0.6917 ( 4468 PWs) bands (ev): -9.3165 -9.3165 -9.3160 -9.3160 -6.7887 -6.7887 -6.7852 -6.7852 -6.7657 -6.7657 -6.7596 -6.7596 -4.6418 -4.6418 -4.6399 -4.6399 -4.5972 -4.5972 -4.5965 -4.5965 -4.5534 -4.5534 -4.5534 -4.5534 -0.5546 -0.5546 -0.5540 -0.5540 2.1132 2.1132 2.1135 2.1135 2.7964 2.7964 2.8010 2.8010 3.9749 3.9749 3.9843 3.9843 7.4799 7.4799 7.4813 7.4813 9.2088 9.2088 9.2967 9.2967 k = 0.0133 0.0387 0.6917 ( 4452 PWs) bands (ev): -9.3166 -9.3166 -9.3162 -9.3162 -6.7882 -6.7882 -6.7859 -6.7859 -6.7652 -6.7652 -6.7611 -6.7611 -4.6418 -4.6418 -4.6404 -4.6404 -4.5974 -4.5974 -4.5970 -4.5970 -4.5538 -4.5538 -4.5538 -4.5538 -0.5599 -0.5599 -0.5595 -0.5595 2.1127 2.1127 2.1128 2.1128 2.8092 2.8092 2.8122 2.8122 3.9913 3.9913 3.9976 3.9976 7.4641 7.4641 7.4651 7.4651 9.2198 9.2198 9.2785 9.2785 k = 0.0067 0.0193 0.6917 ( 4460 PWs) bands (ev): -9.3166 -9.3166 -9.3164 -9.3164 -6.7877 -6.7877 -6.7865 -6.7865 -6.7645 -6.7645 -6.7624 -6.7624 -4.6416 -4.6416 -4.6409 -4.6409 -4.5975 -4.5975 -4.5973 -4.5973 -4.5540 -4.5540 -4.5540 -4.5540 -0.5631 -0.5631 -0.5629 -0.5629 2.1124 2.1124 2.1124 2.1124 2.8172 2.8172 2.8187 2.8187 4.0019 4.0019 4.0050 4.0050 7.4547 7.4547 7.4552 7.4552 9.2324 9.2324 9.2617 9.2617 k = 0.0000 0.0000 0.6917 ( 4456 PWs) bands (ev): -9.3165 -9.3165 -9.3165 -9.3165 -6.7871 -6.7871 -6.7871 -6.7871 -6.7635 -6.7635 -6.7635 -6.7635 -4.6413 -4.6413 -4.6413 -4.6413 -4.5975 -4.5975 -4.5975 -4.5975 -4.5541 -4.5541 -4.5541 -4.5541 -0.5641 -0.5641 -0.5641 -0.5641 2.1123 2.1123 2.1123 2.1123 2.8204 2.8204 2.8204 2.8204 4.0065 4.0065 4.0065 4.0065 7.4517 7.4517 7.4517 7.4517 9.2463 9.2463 9.2464 9.2464 k = 0.0000 0.0000 0.6917 ( 4456 PWs) bands (ev): -9.3165 -9.3165 -9.3165 -9.3165 -6.7871 -6.7871 -6.7871 -6.7871 -6.7635 -6.7635 -6.7635 -6.7635 -4.6413 -4.6413 -4.6413 -4.6413 -4.5975 -4.5975 -4.5975 -4.5975 -4.5541 -4.5541 -4.5541 -4.5541 -0.5641 -0.5641 -0.5641 -0.5641 2.1123 2.1123 2.1123 2.1123 2.8204 2.8204 2.8204 2.8204 4.0065 4.0065 4.0065 4.0065 7.4517 7.4517 7.4517 7.4517 9.2463 9.2463 9.2464 9.2464 k = 0.0000 0.0000 0.6714 ( 4456 PWs) bands (ev): -9.3216 -9.3216 -9.3117 -9.3117 -6.7882 -6.7882 -6.7861 -6.7861 -6.7645 -6.7645 -6.7624 -6.7624 -4.6425 -4.6425 -4.6401 -4.6401 -4.5993 -4.5993 -4.5956 -4.5956 -4.5542 -4.5542 -4.5539 -4.5539 -0.5731 -0.5731 -0.5522 -0.5522 2.0785 2.0785 2.1456 2.1456 2.8184 2.8184 2.8210 2.8210 3.9848 3.9848 4.0213 4.0213 7.4134 7.4134 7.4978 7.4978 9.2221 9.2221 9.2731 9.2731 k = 0.0000 0.0000 0.6510 ( 4452 PWs) bands (ev): -9.3271 -9.3271 -9.3071 -9.3071 -6.7892 -6.7892 -6.7851 -6.7851 -6.7654 -6.7654 -6.7612 -6.7612 -4.6437 -4.6437 -4.6388 -4.6388 -4.6009 -4.6009 -4.5936 -4.5936 -4.5543 -4.5543 -4.5536 -4.5536 -0.5795 -0.5795 -0.5376 -0.5376 2.0445 2.0445 2.1784 2.1784 2.8150 2.8150 2.8202 2.8202 3.9570 3.9570 4.0290 4.0290 7.3834 7.3834 7.5511 7.5511 9.2001 9.2001 9.3027 9.3027 k = 0.0000 0.0000 0.6307 ( 4452 PWs) bands (ev): -9.3328 -9.3328 -9.3030 -9.3030 -6.7903 -6.7903 -6.7841 -6.7841 -6.7662 -6.7662 -6.7598 -6.7598 -4.6449 -4.6449 -4.6375 -4.6375 -4.6023 -4.6023 -4.5916 -4.5916 -4.5543 -4.5543 -4.5533 -4.5533 -0.5832 -0.5832 -0.5202 -0.5202 2.0102 2.0102 2.2106 2.2106 2.8102 2.8102 2.8180 2.8180 3.9235 3.9235 4.0293 4.0293 7.3623 7.3623 7.6109 7.6109 9.1801 9.1801 9.3353 9.3353 k = 0.0000 0.0000 0.6103 ( 4458 PWs) bands (ev): -9.3388 -9.3388 -9.2991 -9.2991 -6.7914 -6.7914 -6.7832 -6.7832 -6.7669 -6.7669 -6.7582 -6.7582 -4.6460 -4.6460 -4.6363 -4.6363 -4.6035 -4.6035 -4.5895 -4.5895 -4.5542 -4.5542 -4.5530 -4.5530 -0.5843 -0.5843 -0.5000 -0.5000 1.9759 1.9759 2.2419 2.2419 2.8040 2.8040 2.8144 2.8144 3.8848 3.8848 4.0218 4.0218 7.3503 7.3503 7.6762 7.6762 9.1621 9.1621 9.3713 9.3713 k = 0.0000 0.0000 0.5900 ( 4462 PWs) bands (ev): -9.3450 -9.3450 -9.2956 -9.2956 -6.7924 -6.7924 -6.7824 -6.7824 -6.7674 -6.7674 -6.7566 -6.7566 -4.6470 -4.6470 -4.6352 -4.6352 -4.6045 -4.6045 -4.5874 -4.5874 -4.5539 -4.5539 -4.5527 -4.5527 -0.5829 -0.5829 -0.4770 -0.4770 1.9417 1.9417 2.2724 2.2724 2.7966 2.7966 2.8094 2.8094 3.8417 3.8417 4.0065 4.0065 7.3476 7.3476 7.7463 7.7463 9.1460 9.1460 9.4110 9.4110 k = 0.0000 0.0000 0.5696 ( 4474 PWs) bands (ev): -9.3514 -9.3514 -9.2924 -9.2924 -6.7934 -6.7934 -6.7816 -6.7816 -6.7679 -6.7679 -6.7548 -6.7548 -4.6480 -4.6480 -4.6342 -4.6342 -4.6053 -4.6053 -4.5853 -4.5853 -4.5535 -4.5535 -4.5523 -4.5523 -0.5790 -0.5790 -0.4511 -0.4511 1.9076 1.9076 2.3017 2.3017 2.7880 2.7880 2.8033 2.8033 3.7945 3.7945 3.9837 3.9837 7.3540 7.3540 7.8202 7.8202 9.1319 9.1319 9.4547 9.4547 k = 0.0000 0.0000 0.5493 ( 4466 PWs) bands (ev): -9.3580 -9.3580 -9.2895 -9.2895 -6.7944 -6.7944 -6.7809 -6.7809 -6.7683 -6.7683 -6.7530 -6.7530 -4.6488 -4.6488 -4.6332 -4.6332 -4.6058 -4.6058 -4.5833 -4.5833 -4.5529 -4.5529 -4.5519 -4.5519 -0.5727 -0.5727 -0.4224 -0.4224 1.8738 1.8738 2.3299 2.3299 2.7782 2.7782 2.7959 2.7959 3.7440 3.7440 3.9534 3.9534 7.3693 7.3693 7.8971 7.8971 9.1199 9.1199 9.5025 9.5025 k = 0.0000 0.0000 0.5289 ( 4464 PWs) bands (ev): -9.3648 -9.3648 -9.2870 -9.2870 -6.7953 -6.7953 -6.7803 -6.7803 -6.7687 -6.7687 -6.7510 -6.7510 -4.6496 -4.6496 -4.6325 -4.6325 -4.6061 -4.6061 -4.5815 -4.5815 -4.5520 -4.5520 -4.5515 -4.5515 -0.5641 -0.5641 -0.3909 -0.3909 1.8404 1.8404 2.3567 2.3567 2.7675 2.7675 2.7875 2.7875 3.6906 3.6906 3.9161 3.9161 7.3933 7.3933 7.9759 7.9759 9.1103 9.1103 9.5547 9.5547 k = 0.0000 0.0000 0.5086 ( 4464 PWs) bands (ev): -9.3717 -9.3717 -9.2848 -9.2848 -6.7962 -6.7962 -6.7797 -6.7797 -6.7689 -6.7689 -6.7489 -6.7489 -4.6504 -4.6504 -4.6318 -4.6318 -4.6061 -4.6061 -4.5799 -4.5799 -4.5512 -4.5512 -4.5508 -4.5508 -0.5533 -0.5533 -0.3566 -0.3566 1.8075 1.8075 2.3819 2.3819 2.7558 2.7558 2.7781 2.7781 3.6347 3.6347 3.8725 3.8725 7.4253 7.4253 8.0556 8.0556 9.1038 9.1038 9.6115 9.6115 k = 0.0000 0.0000 0.4883 ( 4454 PWs) bands (ev): -9.3787 -9.3787 -9.2829 -9.2829 -6.7970 -6.7970 -6.7792 -6.7792 -6.7691 -6.7691 -6.7468 -6.7468 -4.6510 -4.6510 -4.6314 -4.6314 -4.6058 -4.6058 -4.5785 -4.5785 -4.5508 -4.5508 -4.5493 -4.5493 -0.5404 -0.5404 -0.3195 -0.3195 1.7751 1.7751 2.4054 2.4054 2.7432 2.7432 2.7678 2.7678 3.5768 3.5768 3.8229 3.8229 7.4647 7.4647 8.1350 8.1350 9.1007 9.1007 9.6731 9.6731 k = 0.0000 0.0000 0.4679 ( 4454 PWs) bands (ev): -9.3857 -9.3857 -9.2813 -9.2813 -6.7978 -6.7978 -6.7787 -6.7787 -6.7693 -6.7693 -6.7446 -6.7446 -4.6516 -4.6516 -4.6310 -4.6310 -4.6053 -4.6053 -4.5773 -4.5773 -4.5504 -4.5504 -4.5475 -4.5475 -0.5254 -0.5254 -0.2796 -0.2796 1.7435 1.7435 2.4268 2.4268 2.7300 2.7300 2.7568 2.7568 3.5174 3.5174 3.7683 3.7683 7.5108 7.5108 8.2130 8.2130 9.1020 9.1020 9.7395 9.7395 k = 0.0000 0.0000 0.4476 ( 4457 PWs) bands (ev): -9.3928 -9.3928 -9.2800 -9.2800 -6.7985 -6.7985 -6.7783 -6.7783 -6.7694 -6.7694 -6.7424 -6.7424 -4.6521 -4.6521 -4.6308 -4.6308 -4.6046 -4.6046 -4.5763 -4.5763 -4.5500 -4.5500 -4.5454 -4.5454 -0.5087 -0.5087 -0.2370 -0.2370 1.7127 1.7127 2.4459 2.4459 2.7162 2.7162 2.7452 2.7452 3.4567 3.4567 3.7094 3.7094 7.5628 7.5628 8.2882 8.2882 9.1085 9.1085 9.8109 9.8109 k = 0.0000 0.0000 0.4272 ( 4453 PWs) bands (ev): -9.3999 -9.3999 -9.2789 -9.2789 -6.7992 -6.7992 -6.7780 -6.7780 -6.7694 -6.7694 -6.7401 -6.7401 -4.6526 -4.6526 -4.6307 -4.6307 -4.6037 -4.6037 -4.5756 -4.5756 -4.5496 -4.5496 -4.5430 -4.5430 -0.4902 -0.4902 -0.1918 -0.1918 1.6828 1.6828 2.4623 2.4623 2.7020 2.7020 2.7331 2.7331 3.3952 3.3952 3.6471 3.6471 7.6197 7.6197 8.3595 8.3595 9.1213 9.1213 9.8872 9.8872 k = 0.0000 0.0000 0.4069 ( 4457 PWs) bands (ev): -9.4069 -9.4069 -9.2781 -9.2781 -6.7998 -6.7998 -6.7777 -6.7777 -6.7694 -6.7694 -6.7379 -6.7379 -4.6530 -4.6530 -4.6307 -4.6307 -4.6028 -4.6028 -4.5751 -4.5751 -4.5492 -4.5492 -4.5404 -4.5404 -0.4701 -0.4701 -0.1439 -0.1439 1.6540 1.6540 2.4757 2.4757 2.6875 2.6875 2.7207 2.7207 3.3332 3.3332 3.5822 3.5822 7.6805 7.6805 8.4259 8.4259 9.1413 9.1413 9.9686 9.9686 k = 0.0000 0.0000 0.3865 ( 4457 PWs) bands (ev): -9.4138 -9.4138 -9.2775 -9.2775 -6.8004 -6.8004 -6.7774 -6.7774 -6.7694 -6.7694 -6.7356 -6.7356 -4.6533 -4.6533 -4.6306 -4.6306 -4.6018 -4.6018 -4.5746 -4.5746 -4.5488 -4.5488 -4.5377 -4.5377 -0.4486 -0.4486 -0.0935 -0.0935 1.6262 1.6262 2.4854 2.4854 2.6728 2.6728 2.7081 2.7081 3.2711 3.2711 3.5159 3.5159 7.7441 7.7441 8.4867 8.4867 9.1690 9.1690 10.0549 10.0549 k = 0.0000 0.0000 0.3662 ( 4465 PWs) bands (ev): -9.4207 -9.4207 -9.2772 -9.2772 -6.8009 -6.8009 -6.7772 -6.7772 -6.7693 -6.7693 -6.7334 -6.7334 -4.6536 -4.6536 -4.6306 -4.6306 -4.6008 -4.6008 -4.5743 -4.5743 -4.5484 -4.5484 -4.5348 -4.5348 -0.4260 -0.4260 -0.0407 -0.0407 1.5996 1.5996 2.4910 2.4910 2.6581 2.6581 2.6953 2.6953 3.2090 3.2090 3.4493 3.4493 7.8091 7.8091 8.5420 8.5420 9.2047 9.2047 10.1459 10.1459 k = 0.0000 0.0000 0.3458 ( 4457 PWs) bands (ev): -9.4274 -9.4274 -9.2770 -9.2770 -6.8013 -6.8013 -6.7770 -6.7770 -6.7692 -6.7692 -6.7312 -6.7312 -4.6539 -4.6539 -4.6306 -4.6306 -4.5998 -4.5998 -4.5740 -4.5740 -4.5480 -4.5480 -4.5319 -4.5319 -0.4023 -0.4023 0.0146 0.0146 1.5743 1.5743 2.4917 2.4917 2.6436 2.6436 2.6823 2.6823 3.1475 3.1475 3.3837 3.3837 7.8742 7.8742 8.5928 8.5928 9.2477 9.2477 10.2415 10.2415 k = 0.0000 0.0000 0.3255 ( 4461 PWs) bands (ev): -9.4339 -9.4339 -9.2769 -9.2769 -6.8017 -6.8017 -6.7768 -6.7768 -6.7691 -6.7691 -6.7290 -6.7290 -4.6541 -4.6541 -4.6306 -4.6306 -4.5988 -4.5988 -4.5737 -4.5737 -4.5477 -4.5477 -4.5289 -4.5289 -0.3777 -0.3777 0.0721 0.0721 1.5504 1.5504 2.4869 2.4869 2.6293 2.6293 2.6689 2.6689 3.0867 3.0867 3.3205 3.3205 7.9377 7.9377 8.6409 8.6409 9.2969 9.2969 10.3412 10.3412 k = 0.0000 0.0000 0.3052 ( 4467 PWs) bands (ev): -9.4402 -9.4402 -9.2770 -9.2770 -6.8021 -6.8021 -6.7767 -6.7767 -6.7689 -6.7689 -6.7269 -6.7269 -4.6543 -4.6543 -4.6306 -4.6306 -4.5979 -4.5979 -4.5735 -4.5735 -4.5473 -4.5473 -4.5259 -4.5259 -0.3526 -0.3526 0.1318 0.1318 1.5279 1.5279 2.4759 2.4759 2.6153 2.6153 2.6548 2.6548 3.0270 3.0270 3.2612 3.2612 7.9979 7.9979 8.6887 8.6887 9.3507 9.3507 10.4446 10.4446 k = 0.0000 0.0000 0.2848 ( 4473 PWs) bands (ev): -9.4463 -9.4463 -9.2773 -9.2773 -6.8024 -6.8024 -6.7765 -6.7765 -6.7688 -6.7688 -6.7249 -6.7249 -4.6545 -4.6545 -4.6305 -4.6305 -4.5972 -4.5972 -4.5732 -4.5732 -4.5470 -4.5470 -4.5230 -4.5230 -0.3272 -0.3272 0.1935 0.1935 1.5069 1.5069 2.4579 2.4579 2.6018 2.6018 2.6398 2.6398 2.9689 2.9689 3.2073 3.2073 8.0531 8.0531 8.7387 8.7387 9.4074 9.4074 10.5512 10.5512 k = 0.0000 0.0000 0.2645 ( 4473 PWs) bands (ev): -9.4521 -9.4521 -9.2776 -9.2776 -6.8027 -6.8027 -6.7764 -6.7764 -6.7686 -6.7686 -6.7230 -6.7230 -4.6546 -4.6546 -4.6304 -4.6304 -4.5965 -4.5965 -4.5729 -4.5729 -4.5467 -4.5467 -4.5202 -4.5202 -0.3017 -0.3017 0.2570 0.2570 1.4874 1.4874 2.4322 2.4322 2.5886 2.5886 2.6239 2.6239 2.9129 2.9129 3.1601 3.1601 8.1019 8.1019 8.7929 8.7929 9.4652 9.4652 10.6600 10.6600 k = 0.0000 0.0000 0.2441 ( 4473 PWs) bands (ev): -9.4576 -9.4576 -9.2780 -9.2780 -6.8030 -6.8030 -6.7764 -6.7764 -6.7685 -6.7685 -6.7212 -6.7212 -4.6547 -4.6547 -4.6302 -4.6302 -4.5960 -4.5960 -4.5725 -4.5725 -4.5464 -4.5464 -4.5174 -4.5174 -0.2764 -0.2764 0.3221 0.3221 1.4696 1.4696 2.3981 2.3981 2.5757 2.5757 2.6072 2.6072 2.8595 2.8595 3.1205 3.1205 8.1434 8.1434 8.8529 8.8529 9.5226 9.5226 10.7462 10.7462 k = 0.0000 0.0000 0.2238 ( 4473 PWs) bands (ev): -9.4628 -9.4628 -9.2785 -9.2785 -6.8032 -6.8032 -6.7763 -6.7763 -6.7683 -6.7683 -6.7195 -6.7195 -4.6548 -4.6548 -4.6301 -4.6301 -4.5956 -4.5956 -4.5721 -4.5721 -4.5462 -4.5462 -4.5148 -4.5148 -0.2515 -0.2515 0.3887 0.3887 1.4534 1.4534 2.3556 2.3556 2.5630 2.5630 2.5904 2.5904 2.8094 2.8094 3.0885 3.0885 8.1774 8.1774 8.9191 8.9191 9.5781 9.5781 10.8081 10.8081 k = 0.0000 0.0000 0.2034 ( 4477 PWs) bands (ev): -9.4676 -9.4676 -9.2789 -9.2789 -6.8034 -6.8034 -6.7762 -6.7762 -6.7681 -6.7681 -6.7179 -6.7179 -4.6549 -4.6549 -4.6299 -4.6299 -4.5953 -4.5953 -4.5716 -4.5716 -4.5459 -4.5459 -4.5123 -4.5123 -0.2274 -0.2274 0.4562 0.4562 1.4388 1.4388 2.3053 2.3053 2.5503 2.5503 2.5740 2.5740 2.7630 2.7630 3.0637 3.0637 8.2043 8.2043 8.9912 8.9912 9.6306 9.6306 10.8671 10.8671 k = 0.0000 0.0000 0.1831 ( 4477 PWs) bands (ev): -9.4720 -9.4720 -9.2794 -9.2794 -6.8036 -6.8036 -6.7762 -6.7762 -6.7680 -6.7680 -6.7164 -6.7164 -4.6550 -4.6550 -4.6296 -4.6296 -4.5951 -4.5951 -4.5711 -4.5711 -4.5457 -4.5457 -4.5100 -4.5100 -0.2044 -0.2044 0.5245 0.5245 1.4259 1.4259 2.2482 2.2482 2.5371 2.5371 2.5588 2.5588 2.7211 2.7211 3.0451 3.0451 8.2250 8.2250 9.0683 9.0683 9.6790 9.6790 10.9220 10.9220 k = 0.0000 0.0000 0.1628 ( 4475 PWs) bands (ev): -9.4760 -9.4760 -9.2799 -9.2799 -6.8037 -6.8037 -6.7761 -6.7761 -6.7679 -6.7679 -6.7150 -6.7150 -4.6551 -4.6551 -4.6294 -4.6294 -4.5950 -4.5950 -4.5706 -4.5706 -4.5455 -4.5455 -4.5079 -4.5079 -0.1827 -0.1827 0.5929 0.5929 1.4146 1.4146 2.1862 2.1862 2.5226 2.5226 2.5455 2.5455 2.6842 2.6842 3.0315 3.0315 8.2406 8.2406 9.1488 9.1488 9.7219 9.7219 10.9711 10.9711 k = 0.0000 0.0000 0.1424 ( 4479 PWs) bands (ev): -9.4796 -9.4796 -9.2804 -9.2804 -6.8038 -6.8038 -6.7761 -6.7761 -6.7677 -6.7677 -6.7138 -6.7138 -4.6552 -4.6552 -4.6292 -4.6292 -4.5950 -4.5950 -4.5701 -4.5701 -4.5453 -4.5453 -4.5061 -4.5061 -0.1627 -0.1627 0.6608 0.6608 1.4049 1.4049 2.1213 2.1213 2.5065 2.5065 2.5344 2.5344 2.6530 2.6530 3.0219 3.0219 8.2521 8.2521 9.2313 9.2313 9.7585 9.7585 11.0123 11.0123 k = 0.0000 0.0000 0.1221 ( 4475 PWs) bands (ev): -9.4828 -9.4828 -9.2809 -9.2809 -6.8039 -6.8039 -6.7760 -6.7760 -6.7676 -6.7676 -6.7128 -6.7128 -4.6552 -4.6552 -4.6289 -4.6289 -4.5950 -4.5950 -4.5697 -4.5697 -4.5452 -4.5452 -4.5044 -4.5044 -0.1447 -0.1447 0.7271 0.7271 1.3967 1.3967 2.0555 2.0555 2.4893 2.4893 2.5252 2.5252 2.6275 2.6275 3.0151 3.0151 8.2604 8.2604 9.3139 9.3139 9.7876 9.7876 11.0429 11.0429 k = 0.0000 0.0000 0.1017 ( 4469 PWs) bands (ev): -9.4855 -9.4855 -9.2813 -9.2813 -6.8040 -6.8040 -6.7760 -6.7760 -6.7675 -6.7675 -6.7119 -6.7119 -4.6553 -4.6553 -4.6287 -4.6287 -4.5950 -4.5950 -4.5693 -4.5693 -4.5451 -4.5451 -4.5029 -4.5029 -0.1289 -0.1289 0.7907 0.7907 1.3899 1.3899 1.9911 1.9911 2.4720 2.4720 2.5178 2.5178 2.6075 2.6075 3.0105 3.0105 8.2664 8.2664 9.3950 9.3950 9.8082 9.8082 11.0602 11.0602 k = 0.0000 0.0000 0.0814 ( 4477 PWs) bands (ev): -9.4877 -9.4877 -9.2816 -9.2816 -6.8041 -6.8041 -6.7760 -6.7760 -6.7674 -6.7674 -6.7111 -6.7111 -4.6553 -4.6553 -4.6285 -4.6285 -4.5951 -4.5951 -4.5689 -4.5689 -4.5450 -4.5450 -4.5018 -4.5018 -0.1156 -0.1156 0.8496 0.8496 1.3844 1.3844 1.9308 1.9308 2.4558 2.4558 2.5118 2.5118 2.5925 2.5925 3.0075 3.0075 8.2705 8.2705 9.4725 9.4725 9.8192 9.8192 11.0634 11.0634 k = 0.0000 0.0000 0.0610 ( 4485 PWs) bands (ev): -9.4894 -9.4894 -9.2819 -9.2819 -6.8041 -6.8041 -6.7760 -6.7760 -6.7674 -6.7674 -6.7105 -6.7105 -4.6554 -4.6554 -4.6284 -4.6284 -4.5952 -4.5952 -4.5686 -4.5686 -4.5449 -4.5449 -4.5008 -4.5008 -0.1051 -0.1051 0.9014 0.9014 1.3801 1.3801 1.8775 1.8775 2.4419 2.4419 2.5071 2.5071 2.5816 2.5816 3.0055 3.0055 8.2733 8.2733 9.5442 9.5442 9.8203 9.8203 11.0556 11.0556 k = 0.0000 0.0000 0.0407 ( 4481 PWs) bands (ev): -9.4907 -9.4907 -9.2821 -9.2821 -6.8042 -6.8042 -6.7760 -6.7760 -6.7673 -6.7673 -6.7101 -6.7101 -4.6554 -4.6554 -4.6283 -4.6283 -4.5952 -4.5952 -4.5684 -4.5684 -4.5448 -4.5448 -4.5001 -4.5001 -0.0974 -0.0974 0.9427 0.9427 1.3771 1.3771 1.8349 1.8349 2.4313 2.4313 2.5038 2.5038 2.5743 2.5743 3.0043 3.0043 8.2750 8.2750 9.6070 9.6070 9.8116 9.8116 11.0436 11.0436 k = 0.0000 0.0000 0.0203 ( 4485 PWs) bands (ev): -9.4914 -9.4914 -9.2822 -9.2822 -6.8042 -6.8042 -6.7759 -6.7759 -6.7673 -6.7673 -6.7099 -6.7099 -4.6554 -4.6554 -4.6282 -4.6282 -4.5953 -4.5953 -4.5682 -4.5682 -4.5448 -4.5448 -4.4997 -4.4997 -0.0927 -0.0927 0.9698 0.9698 1.3752 1.3752 1.8071 1.8071 2.4246 2.4246 2.5018 2.5018 2.5700 2.5700 3.0036 3.0036 8.2760 8.2760 9.6554 9.6554 9.7967 9.7967 11.0336 11.0336 k = 0.0000 0.0000 0.0000 ( 4491 PWs) bands (ev): -9.4917 -9.4917 -9.2823 -9.2823 -6.8042 -6.8042 -6.7759 -6.7759 -6.7673 -6.7673 -6.7098 -6.7098 -4.6554 -4.6554 -4.6282 -4.6282 -4.5953 -4.5953 -4.5682 -4.5682 -4.5448 -4.5448 -4.4996 -4.4996 -0.0911 -0.0911 0.9792 0.9792 1.3746 1.3746 1.7973 1.7973 2.4224 2.4224 2.5012 2.5012 2.5687 2.5687 3.0034 3.0034 8.2763 8.2763 9.6760 9.6760 9.7875 9.7875 11.0299 11.0299 k = 0.0000 0.0000 0.0000 ( 4491 PWs) bands (ev): -9.4917 -9.4917 -9.2823 -9.2823 -6.8042 -6.8042 -6.7759 -6.7759 -6.7673 -6.7673 -6.7098 -6.7098 -4.6554 -4.6554 -4.6282 -4.6282 -4.5953 -4.5953 -4.5682 -4.5682 -4.5448 -4.5448 -4.4996 -4.4996 -0.0911 -0.0911 0.9792 0.9792 1.3746 1.3746 1.7973 1.7973 2.4224 2.4224 2.5012 2.5012 2.5687 2.5687 3.0034 3.0034 8.2763 8.2763 9.6760 9.6760 9.7875 9.7875 11.0299 11.0299 k =-0.0192 0.0066-0.0000 ( 4493 PWs) bands (ev): -9.4915 -9.4915 -9.2824 -9.2824 -6.8042 -6.8042 -6.7759 -6.7759 -6.7673 -6.7673 -6.7099 -6.7099 -4.6554 -4.6554 -4.6281 -4.6281 -4.5953 -4.5953 -4.5685 -4.5685 -4.5446 -4.5446 -4.4997 -4.4997 -0.0931 -0.0931 0.9688 0.9688 1.3891 1.3891 1.7980 1.7980 2.4211 2.4211 2.5001 2.5001 2.5703 2.5703 3.0043 3.0043 8.2744 8.2744 9.6728 9.6728 9.7884 9.7884 11.0283 11.0283 k =-0.0385 0.0132-0.0000 ( 4485 PWs) bands (ev): -9.4908 -9.4908 -9.2829 -9.2829 -6.8040 -6.8040 -6.7759 -6.7759 -6.7673 -6.7673 -6.7103 -6.7103 -4.6551 -4.6551 -4.6281 -4.6281 -4.5953 -4.5953 -4.5692 -4.5692 -4.5441 -4.5441 -4.5002 -4.5002 -0.0990 -0.0990 0.9412 0.9412 1.4287 1.4287 1.7999 1.7999 2.4172 2.4172 2.4972 2.4972 2.5749 2.5749 3.0071 3.0071 8.2686 8.2686 9.6635 9.6635 9.7908 9.7908 11.0236 11.0236 k =-0.0577 0.0199-0.0000 ( 4477 PWs) bands (ev): -9.4896 -9.4896 -9.2836 -9.2836 -6.8038 -6.8038 -6.7759 -6.7759 -6.7674 -6.7674 -6.7109 -6.7109 -4.6548 -4.6548 -4.6281 -4.6281 -4.5952 -4.5952 -4.5704 -4.5704 -4.5432 -4.5432 -4.5008 -4.5008 -0.1086 -0.1086 0.9041 0.9041 1.4858 1.4858 1.8032 1.8032 2.4112 2.4112 2.4929 2.4929 2.5818 2.5818 3.0116 3.0116 8.2589 8.2589 9.6491 9.6491 9.7937 9.7937 11.0152 11.0152 k =-0.0769 0.0265-0.0000 ( 4475 PWs) bands (ev): -9.4881 -9.4881 -9.2847 -9.2847 -6.8034 -6.8034 -6.7758 -6.7758 -6.7674 -6.7674 -6.7118 -6.7118 -4.6543 -4.6543 -4.6280 -4.6280 -4.5952 -4.5952 -4.5719 -4.5719 -4.5422 -4.5422 -4.5018 -4.5018 -0.1218 -0.1218 0.8632 0.8632 1.5542 1.5542 1.8079 1.8079 2.4033 2.4033 2.4875 2.4875 2.5901 2.5901 3.0178 3.0178 8.2454 8.2454 9.6303 9.6303 9.7960 9.7960 11.0028 11.0028 k =-0.0962 0.0331-0.0000 ( 4481 PWs) bands (ev): -9.4860 -9.4860 -9.2860 -9.2860 -6.8030 -6.8030 -6.7757 -6.7757 -6.7675 -6.7675 -6.7129 -6.7129 -4.6537 -4.6537 -4.6279 -4.6279 -4.5951 -4.5951 -4.5736 -4.5736 -4.5410 -4.5410 -4.5030 -4.5030 -0.1383 -0.1383 0.8218 0.8218 1.6299 1.6299 1.8142 1.8142 2.3940 2.3940 2.4813 2.4813 2.5994 2.5994 3.0256 3.0256 8.2281 8.2281 9.6077 9.6077 9.7970 9.7970 10.9857 10.9857 k =-0.1154 0.0397-0.0000 ( 4471 PWs) bands (ev): -9.4836 -9.4836 -9.2876 -9.2876 -6.8025 -6.8025 -6.7756 -6.7756 -6.7675 -6.7675 -6.7142 -6.7142 -4.6530 -4.6530 -4.6278 -4.6278 -4.5950 -4.5950 -4.5756 -4.5756 -4.5398 -4.5398 -4.5044 -4.5044 -0.1578 -0.1578 0.7818 0.7818 1.7099 1.7099 1.8230 1.8230 2.3837 2.3837 2.4743 2.4743 2.6091 2.6091 3.0349 3.0349 8.2071 8.2071 9.5817 9.5817 9.7960 9.7960 10.9637 10.9637 k =-0.1346 0.0464-0.0000 ( 4471 PWs) bands (ev): -9.4807 -9.4807 -9.2896 -9.2896 -6.8018 -6.8018 -6.7755 -6.7755 -6.7676 -6.7676 -6.7157 -6.7157 -4.6522 -4.6522 -4.6277 -4.6277 -4.5950 -4.5950 -4.5777 -4.5777 -4.5386 -4.5386 -4.5061 -4.5061 -0.1798 -0.1798 0.7440 0.7440 1.7862 1.7862 1.8408 1.8408 2.3727 2.3727 2.4665 2.4665 2.6192 2.6192 3.0456 3.0456 8.1824 8.1824 9.5525 9.5525 9.7926 9.7926 10.9368 10.9368 k =-0.1538 0.0530-0.0000 ( 4465 PWs) bands (ev): -9.4775 -9.4775 -9.2918 -9.2918 -6.8011 -6.8011 -6.7754 -6.7754 -6.7677 -6.7677 -6.7175 -6.7175 -4.6512 -4.6512 -4.6275 -4.6275 -4.5949 -4.5949 -4.5798 -4.5798 -4.5374 -4.5374 -4.5079 -4.5079 -0.2039 -0.2039 0.7088 0.7088 1.8245 1.8245 1.9006 1.9006 2.3611 2.3611 2.4579 2.4579 2.6292 2.6292 3.0575 3.0575 8.1540 8.1540 9.5200 9.5200 9.7865 9.7865 10.9056 10.9056 k =-0.1731 0.0596-0.0000 ( 4459 PWs) bands (ev): -9.4738 -9.4738 -9.2943 -9.2943 -6.8003 -6.8003 -6.7753 -6.7753 -6.7678 -6.7678 -6.7194 -6.7194 -4.6501 -4.6501 -4.6273 -4.6273 -4.5948 -4.5948 -4.5820 -4.5820 -4.5363 -4.5363 -4.5099 -4.5099 -0.2296 -0.2296 0.6765 0.6765 1.8393 1.8393 1.9874 1.9874 2.3494 2.3494 2.4485 2.4485 2.6391 2.6391 3.0704 3.0704 8.1220 8.1220 9.4844 9.4844 9.7774 9.7774 10.8712 10.8712 k =-0.1923 0.0662-0.0000 ( 4461 PWs) bands (ev): -9.4698 -9.4698 -9.2971 -9.2971 -6.7994 -6.7994 -6.7752 -6.7752 -6.7680 -6.7680 -6.7215 -6.7215 -4.6489 -4.6489 -4.6271 -4.6271 -4.5948 -4.5948 -4.5843 -4.5843 -4.5353 -4.5353 -4.5120 -4.5120 -0.2563 -0.2563 0.6469 0.6469 1.8516 1.8516 2.0789 2.0789 2.3376 2.3376 2.4384 2.4384 2.6488 2.6488 3.0841 3.0841 8.0866 8.0866 9.4456 9.4456 9.7654 9.7654 10.8354 10.8354 k =-0.2115 0.0728-0.0000 ( 4461 PWs) bands (ev): -9.4655 -9.4655 -9.3002 -9.3002 -6.7983 -6.7983 -6.7750 -6.7750 -6.7681 -6.7681 -6.7238 -6.7238 -4.6476 -4.6476 -4.6268 -4.6268 -4.5949 -4.5949 -4.5865 -4.5865 -4.5345 -4.5345 -4.5142 -4.5142 -0.2837 -0.2837 0.6200 0.6200 1.8642 1.8642 2.1717 2.1717 2.3261 2.3261 2.4277 2.4277 2.6582 2.6582 3.0984 3.0984 8.0478 8.0478 9.4039 9.4039 9.7507 9.7507 10.7998 10.7998 k =-0.2308 0.0795-0.0000 ( 4461 PWs) bands (ev): -9.4608 -9.4608 -9.3036 -9.3036 -6.7972 -6.7972 -6.7748 -6.7748 -6.7682 -6.7682 -6.7262 -6.7262 -4.6462 -4.6462 -4.6265 -4.6265 -4.5950 -4.5950 -4.5885 -4.5885 -4.5338 -4.5338 -4.5163 -4.5163 -0.3111 -0.3111 0.5956 0.5956 1.8773 1.8773 2.2624 2.2624 2.3172 2.3172 2.4164 2.4164 2.6671 2.6671 3.1132 3.1132 8.0058 8.0058 9.3596 9.3596 9.7337 9.7337 10.7662 10.7662 k =-0.2500 0.0861-0.0000 ( 4455 PWs) bands (ev): -9.4558 -9.4558 -9.3073 -9.3073 -6.7960 -6.7960 -6.7746 -6.7746 -6.7683 -6.7683 -6.7287 -6.7287 -4.6447 -4.6447 -4.6261 -4.6261 -4.5955 -4.5955 -4.5903 -4.5903 -4.5334 -4.5334 -4.5183 -4.5183 -0.3383 -0.3383 0.5735 0.5735 1.8912 1.8912 2.2969 2.2969 2.3634 2.3634 2.4054 2.4054 2.6757 2.6757 3.1280 3.1280 7.9609 7.9609 9.3131 9.3131 9.7149 9.7149 10.7357 10.7357 k =-0.2692 0.0927-0.0000 ( 4451 PWs) bands (ev): -9.4505 -9.4505 -9.3112 -9.3112 -6.7947 -6.7947 -6.7744 -6.7744 -6.7685 -6.7685 -6.7314 -6.7314 -4.6432 -4.6432 -4.6257 -4.6257 -4.5965 -4.5965 -4.5915 -4.5915 -4.5334 -4.5334 -4.5201 -4.5201 -0.3648 -0.3648 0.5536 0.5536 1.9058 1.9058 2.2872 2.2872 2.3908 2.3908 2.4558 2.4558 2.6837 2.6837 3.1428 3.1428 7.9134 7.9134 9.2654 9.2654 9.6949 9.6949 10.7091 10.7091 k =-0.2885 0.0993-0.0000 ( 4449 PWs) bands (ev): -9.4450 -9.4450 -9.3154 -9.3154 -6.7932 -6.7932 -6.7742 -6.7742 -6.7686 -6.7686 -6.7341 -6.7341 -4.6416 -4.6416 -4.6253 -4.6253 -4.5980 -4.5980 -4.5922 -4.5922 -4.5339 -4.5339 -4.5215 -4.5215 -0.3902 -0.3902 0.5357 0.5357 1.9211 1.9211 2.2760 2.2760 2.3787 2.3787 2.5453 2.5453 2.6912 2.6912 3.1573 3.1573 7.8639 7.8639 9.2172 9.2172 9.6745 9.6745 10.6867 10.6867 k =-0.3077 0.1060-0.0000 ( 4449 PWs) bands (ev): -9.4393 -9.4393 -9.3199 -9.3199 -6.7917 -6.7917 -6.7740 -6.7740 -6.7688 -6.7688 -6.7369 -6.7369 -4.6399 -4.6399 -4.6249 -4.6249 -4.5999 -4.5999 -4.5925 -4.5925 -4.5349 -4.5349 -4.5224 -4.5224 -0.4142 -0.4142 0.5197 0.5197 1.9370 1.9370 2.2644 2.2644 2.3662 2.3662 2.6328 2.6328 2.6982 2.6982 3.1712 3.1712 7.8129 7.8129 9.1696 9.1696 9.6543 9.6543 10.6685 10.6685 k =-0.3269 0.1126-0.0000 ( 4443 PWs) bands (ev): -9.4334 -9.4334 -9.3246 -9.3246 -6.7902 -6.7902 -6.7738 -6.7738 -6.7689 -6.7689 -6.7397 -6.7397 -4.6382 -4.6382 -4.6244 -4.6244 -4.6020 -4.6020 -4.5926 -4.5926 -4.5364 -4.5364 -4.5229 -4.5229 -0.4367 -0.4367 0.5054 0.5054 1.9536 1.9536 2.2526 2.2526 2.3537 2.3537 2.7037 2.7037 2.7176 2.7176 3.1842 3.1842 7.7614 7.7614 9.1237 9.1237 9.6348 9.6348 10.6541 10.6541 k =-0.3462 0.1192-0.0000 ( 4443 PWs) bands (ev): -9.4273 -9.4273 -9.3295 -9.3295 -6.7885 -6.7885 -6.7736 -6.7736 -6.7690 -6.7690 -6.7425 -6.7425 -4.6364 -4.6364 -4.6238 -4.6238 -4.6041 -4.6041 -4.5926 -4.5926 -4.5382 -4.5382 -4.5231 -4.5231 -0.4573 -0.4573 0.4928 0.4928 1.9706 1.9706 2.2406 2.2406 2.3416 2.3416 2.7100 2.7100 2.7967 2.7967 3.1960 3.1960 7.7102 7.7102 9.0805 9.0805 9.6164 9.6164 10.6429 10.6429 k =-0.3654 0.1258-0.0000 ( 4444 PWs) bands (ev): -9.4211 -9.4211 -9.3347 -9.3347 -6.7868 -6.7868 -6.7734 -6.7734 -6.7691 -6.7691 -6.7454 -6.7454 -4.6347 -4.6347 -4.6233 -4.6233 -4.6062 -4.6062 -4.5926 -4.5926 -4.5401 -4.5401 -4.5231 -4.5231 -0.4758 -0.4758 0.4819 0.4819 1.9880 1.9880 2.2281 2.2281 2.3302 2.3302 2.7151 2.7151 2.8710 2.8710 3.2065 3.2065 7.6606 7.6606 9.0408 9.0408 9.5996 9.5996 10.6345 10.6345 k =-0.3846 0.1324-0.0000 ( 4442 PWs) bands (ev): -9.4148 -9.4148 -9.3401 -9.3401 -6.7851 -6.7851 -6.7731 -6.7731 -6.7691 -6.7691 -6.7482 -6.7482 -4.6329 -4.6329 -4.6228 -4.6228 -4.6082 -4.6082 -4.5925 -4.5925 -4.5419 -4.5419 -4.5230 -4.5230 -0.4922 -0.4922 0.4725 0.4725 2.0058 2.0058 2.2152 2.2152 2.3197 2.3197 2.7195 2.7195 2.9390 2.9390 3.2152 3.2152 7.6138 7.6138 9.0054 9.0054 9.5846 9.5846 10.6284 10.6284 k =-0.4038 0.1391-0.0000 ( 4442 PWs) bands (ev): -9.4084 -9.4084 -9.3457 -9.3457 -6.7834 -6.7834 -6.7729 -6.7729 -6.7690 -6.7690 -6.7509 -6.7509 -4.6311 -4.6311 -4.6223 -4.6223 -4.6102 -4.6102 -4.5925 -4.5925 -4.5436 -4.5436 -4.5228 -4.5228 -0.5062 -0.5062 0.4645 0.4645 2.0237 2.0237 2.2016 2.2016 2.3106 2.3106 2.7233 2.7233 2.9998 2.9998 3.2219 3.2219 7.5712 7.5712 8.9747 8.9747 9.5717 9.5717 10.6240 10.6240 k =-0.4231 0.1457-0.0000 ( 4440 PWs) bands (ev): -9.4019 -9.4019 -9.3515 -9.3515 -6.7818 -6.7818 -6.7728 -6.7728 -6.7688 -6.7688 -6.7536 -6.7536 -4.6293 -4.6293 -4.6219 -4.6219 -4.6121 -4.6121 -4.5925 -4.5925 -4.5452 -4.5452 -4.5227 -4.5227 -0.5178 -0.5178 0.4581 0.4581 2.0417 2.0417 2.1873 2.1873 2.3029 2.3029 2.7264 2.7264 3.0527 3.0527 3.2261 3.2261 7.5341 7.5341 8.9493 8.9493 9.5609 9.5609 10.6210 10.6210 k =-0.4423 0.1523-0.0000 ( 4424 PWs) bands (ev): -9.3954 -9.3954 -9.3574 -9.3574 -6.7804 -6.7804 -6.7727 -6.7727 -6.7684 -6.7684 -6.7561 -6.7561 -4.6276 -4.6276 -4.6216 -4.6216 -4.6139 -4.6139 -4.5924 -4.5924 -4.5464 -4.5464 -4.5226 -4.5226 -0.5269 -0.5269 0.4531 0.4531 2.0594 2.0594 2.1725 2.1725 2.2968 2.2968 2.7288 2.7288 3.0969 3.0969 3.2275 3.2275 7.5038 7.5038 8.9292 8.9292 9.5524 9.5524 10.6190 10.6190 k =-0.4615 0.1589-0.0000 ( 4424 PWs) bands (ev): -9.3890 -9.3890 -9.3635 -9.3635 -6.7793 -6.7793 -6.7726 -6.7726 -6.7677 -6.7677 -6.7583 -6.7583 -4.6260 -4.6260 -4.6215 -4.6215 -4.6154 -4.6154 -4.5924 -4.5924 -4.5473 -4.5473 -4.5225 -4.5225 -0.5335 -0.5335 0.4496 0.4496 2.0764 2.0764 2.1576 2.1576 2.2925 2.2925 2.7305 2.7305 3.1316 3.1316 3.2261 3.2261 7.4813 7.4813 8.9148 8.9148 9.5462 9.5462 10.6178 10.6178 k =-0.4808 0.1656-0.0000 ( 4436 PWs) bands (ev): -9.3825 -9.3825 -9.3697 -9.3697 -6.7786 -6.7786 -6.7726 -6.7726 -6.7670 -6.7670 -6.7600 -6.7600 -4.6247 -4.6247 -4.6216 -4.6216 -4.6166 -4.6166 -4.5924 -4.5924 -4.5479 -4.5479 -4.5224 -4.5224 -0.5374 -0.5374 0.4475 0.4475 2.0911 2.0911 2.1441 2.1441 2.2898 2.2898 2.7315 2.7315 3.1553 3.1553 3.2227 3.2227 7.4674 7.4674 8.9061 8.9061 9.5425 9.5425 10.6171 10.6171 k =-0.5000 0.1722-0.0000 ( 4434 PWs) bands (ev): -9.3771 -9.3771 -9.3750 -9.3750 -6.7783 -6.7783 -6.7725 -6.7725 -6.7666 -6.7666 -6.7607 -6.7607 -4.6240 -4.6240 -4.6218 -4.6218 -4.6170 -4.6170 -4.5924 -4.5924 -4.5481 -4.5481 -4.5224 -4.5224 -0.5388 -0.5388 0.4468 0.4468 2.0983 2.0983 2.1374 2.1374 2.2890 2.2890 2.7319 2.7319 3.1643 3.1643 3.2205 3.2205 7.4627 7.4627 8.9032 8.9032 9.5413 9.5413 10.6169 10.6169 k =-0.5000 0.1722-0.0000 ( 4434 PWs) bands (ev): -9.3771 -9.3771 -9.3750 -9.3750 -6.7783 -6.7783 -6.7725 -6.7725 -6.7666 -6.7666 -6.7607 -6.7607 -4.6240 -4.6240 -4.6218 -4.6218 -4.6170 -4.6170 -4.5924 -4.5924 -4.5481 -4.5481 -4.5224 -4.5224 -0.5388 -0.5388 0.4468 0.4468 2.0983 2.0983 2.1374 2.1374 2.2890 2.2890 2.7319 2.7319 3.1643 3.1643 3.2205 3.2205 7.4627 7.4627 8.9032 8.9032 9.5413 9.5413 10.6169 10.6169 k =-0.4933 0.1916-0.0000 ( 4434 PWs) bands (ev): -9.3769 -9.3769 -9.3749 -9.3749 -6.7783 -6.7783 -6.7725 -6.7725 -6.7667 -6.7667 -6.7607 -6.7607 -4.6243 -4.6243 -4.6216 -4.6216 -4.6169 -4.6169 -4.5924 -4.5924 -4.5482 -4.5482 -4.5224 -4.5224 -0.5397 -0.5397 0.4461 0.4461 2.0990 2.0990 2.1382 2.1382 2.2890 2.2890 2.7313 2.7313 3.1660 3.1660 3.2219 3.2219 7.4622 7.4622 8.9037 8.9037 9.5382 9.5382 10.6051 10.6051 k =-0.4866 0.2110-0.0000 ( 4422 PWs) bands (ev): -9.3762 -9.3762 -9.3744 -9.3744 -6.7784 -6.7784 -6.7725 -6.7725 -6.7668 -6.7668 -6.7607 -6.7607 -4.6250 -4.6250 -4.6212 -4.6212 -4.6168 -4.6168 -4.5922 -4.5922 -4.5484 -4.5484 -4.5226 -4.5226 -0.5426 -0.5426 0.4440 0.4440 2.1013 2.1013 2.1407 2.1407 2.2891 2.2891 2.7295 2.7295 3.1712 3.1712 3.2258 3.2258 7.4606 7.4606 8.9052 8.9052 9.5288 9.5288 10.5711 10.5711 k =-0.4800 0.2304-0.0000 ( 4426 PWs) bands (ev): -9.3752 -9.3752 -9.3736 -9.3736 -6.7784 -6.7784 -6.7725 -6.7725 -6.7669 -6.7669 -6.7608 -6.7608 -4.6258 -4.6258 -4.6209 -4.6209 -4.6166 -4.6166 -4.5920 -4.5920 -4.5487 -4.5487 -4.5228 -4.5228 -0.5473 -0.5473 0.4407 0.4407 2.1050 2.1050 2.1447 2.1447 2.2892 2.2892 2.7266 2.7266 3.1796 3.1796 3.2323 3.2323 7.4578 7.4578 8.9074 8.9074 9.5132 9.5132 10.5187 10.5187 k =-0.4733 0.2497-0.0000 ( 4426 PWs) bands (ev): -9.3737 -9.3737 -9.3725 -9.3725 -6.7784 -6.7784 -6.7724 -6.7724 -6.7672 -6.7672 -6.7608 -6.7608 -4.6269 -4.6269 -4.6205 -4.6205 -4.6164 -4.6164 -4.5917 -4.5917 -4.5491 -4.5491 -4.5231 -4.5231 -0.5539 -0.5539 0.4360 0.4360 2.1102 2.1102 2.1504 2.1504 2.2895 2.2895 2.7229 2.7229 3.1910 3.1910 3.2413 3.2413 7.4540 7.4540 8.9100 8.9100 9.4918 9.4918 10.4521 10.4521 k =-0.4666 0.2691-0.0000 ( 4434 PWs) bands (ev): -9.3719 -9.3719 -9.3711 -9.3711 -6.7785 -6.7785 -6.7724 -6.7724 -6.7675 -6.7675 -6.7609 -6.7609 -4.6281 -4.6281 -4.6202 -4.6202 -4.6160 -4.6160 -4.5913 -4.5913 -4.5496 -4.5496 -4.5236 -4.5236 -0.5623 -0.5623 0.4300 0.4300 2.1168 2.1168 2.1576 2.1576 2.2901 2.2901 2.7185 2.7185 3.2052 3.2052 3.2527 3.2527 7.4490 7.4490 8.9126 8.9126 9.4646 9.4646 10.3756 10.3756 k =-0.4599 0.2885-0.0000 ( 4446 PWs) bands (ev): -9.3699 -9.3699 -9.3693 -9.3693 -6.7786 -6.7786 -6.7723 -6.7723 -6.7678 -6.7678 -6.7610 -6.7610 -4.6294 -4.6294 -4.6200 -4.6200 -4.6156 -4.6156 -4.5909 -4.5909 -4.5503 -4.5503 -4.5241 -4.5241 -0.5723 -0.5723 0.4229 0.4229 2.1247 2.1247 2.1663 2.1663 2.2911 2.2911 2.7138 2.7138 3.2219 3.2219 3.2664 3.2664 7.4429 7.4429 8.9143 8.9143 9.4320 9.4320 10.2929 10.2929 k =-0.4533 0.3079-0.0000 ( 4442 PWs) bands (ev): -9.3678 -9.3678 -9.3668 -9.3668 -6.7787 -6.7787 -6.7723 -6.7723 -6.7683 -6.7683 -6.7611 -6.7611 -4.6308 -4.6308 -4.6199 -4.6199 -4.6151 -4.6151 -4.5903 -4.5903 -4.5510 -4.5510 -4.5247 -4.5247 -0.5840 -0.5840 0.4146 0.4146 2.1338 2.1338 2.1765 2.1765 2.2925 2.2925 2.7090 2.7090 3.2407 3.2407 3.2821 3.2821 7.4356 7.4356 8.9142 8.9142 9.3945 9.3945 10.2071 10.2071 k =-0.4466 0.3273-0.0000 ( 4438 PWs) bands (ev): -9.3656 -9.3656 -9.3638 -9.3638 -6.7788 -6.7788 -6.7722 -6.7722 -6.7687 -6.7687 -6.7612 -6.7612 -4.6323 -4.6323 -4.6199 -4.6199 -4.6146 -4.6146 -4.5896 -4.5896 -4.5518 -4.5518 -4.5253 -4.5253 -0.5971 -0.5971 0.4053 0.4053 2.1440 2.1440 2.1881 2.1881 2.2947 2.2947 2.7042 2.7042 3.2613 3.2613 3.2998 3.2998 7.4270 7.4270 8.9111 8.9111 9.3523 9.3523 10.1210 10.1210 k =-0.4399 0.3467-0.0000 ( 4436 PWs) bands (ev): -9.3632 -9.3632 -9.3604 -9.3604 -6.7789 -6.7789 -6.7721 -6.7721 -6.7692 -6.7692 -6.7613 -6.7613 -4.6339 -4.6339 -4.6200 -4.6200 -4.6140 -4.6140 -4.5889 -4.5889 -4.5527 -4.5527 -4.5261 -4.5261 -0.6117 -0.6117 0.3950 0.3950 2.1551 2.1551 2.2010 2.2010 2.2977 2.2977 2.6997 2.6997 3.2835 3.2835 3.3193 3.3193 7.4172 7.4172 8.9031 8.9031 9.3061 9.3061 10.0376 10.0376 k =-0.4332 0.3661-0.0000 ( 4444 PWs) bands (ev): -9.3606 -9.3606 -9.3567 -9.3567 -6.7791 -6.7791 -6.7721 -6.7721 -6.7697 -6.7697 -6.7615 -6.7615 -4.6356 -4.6356 -4.6203 -4.6203 -4.6132 -4.6132 -4.5880 -4.5880 -4.5537 -4.5537 -4.5269 -4.5269 -0.6274 -0.6274 0.3838 0.3838 2.1669 2.1669 2.2151 2.2151 2.3018 2.3018 2.6956 2.6956 3.3068 3.3068 3.3407 3.3407 7.4061 7.4061 8.8884 8.8884 9.2563 9.2563 9.9595 9.9595 k =-0.4265 0.3855-0.0000 ( 4450 PWs) bands (ev): -9.3578 -9.3578 -9.3527 -9.3527 -6.7793 -6.7793 -6.7721 -6.7721 -6.7703 -6.7703 -6.7616 -6.7616 -4.6374 -4.6374 -4.6206 -4.6206 -4.6125 -4.6125 -4.5871 -4.5871 -4.5547 -4.5547 -4.5279 -4.5279 -0.6443 -0.6443 0.3719 0.3719 2.1792 2.1792 2.2304 2.2304 2.3071 2.3071 2.6921 2.6921 3.3310 3.3310 3.3636 3.3636 7.3936 7.3936 8.8646 8.8646 9.2036 9.2036 9.8896 9.8896 k =-0.4199 0.4049-0.0000 ( 4456 PWs) bands (ev): -9.3548 -9.3548 -9.3483 -9.3483 -6.7796 -6.7796 -6.7721 -6.7721 -6.7707 -6.7707 -6.7618 -6.7618 -4.6393 -4.6393 -4.6211 -4.6211 -4.6116 -4.6116 -4.5861 -4.5861 -4.5557 -4.5557 -4.5289 -4.5289 -0.6622 -0.6622 0.3593 0.3593 2.1916 2.1916 2.2467 2.2467 2.3139 2.3139 2.6892 2.6892 3.3557 3.3557 3.3882 3.3882 7.3798 7.3798 8.8297 8.8297 9.1486 9.1486 9.8300 9.8300 k =-0.4132 0.4243-0.0000 ( 4462 PWs) bands (ev): -9.3517 -9.3517 -9.3437 -9.3437 -6.7798 -6.7798 -6.7723 -6.7723 -6.7711 -6.7711 -6.7619 -6.7619 -4.6412 -4.6412 -4.6216 -4.6216 -4.6108 -4.6108 -4.5850 -4.5850 -4.5568 -4.5568 -4.5299 -4.5299 -0.6808 -0.6808 0.3462 0.3462 2.2039 2.2039 2.2641 2.2641 2.3224 2.3224 2.6870 2.6870 3.3809 3.3809 3.4142 3.4142 7.3644 7.3644 8.7822 8.7822 9.0922 9.0922 9.7820 9.7820 k =-0.4065 0.4437-0.0000 ( 4452 PWs) bands (ev): -9.3485 -9.3485 -9.3389 -9.3389 -6.7801 -6.7801 -6.7728 -6.7728 -6.7712 -6.7712 -6.7621 -6.7621 -4.6432 -4.6432 -4.6223 -4.6223 -4.6098 -4.6098 -4.5838 -4.5838 -4.5580 -4.5580 -4.5310 -4.5310 -0.7001 -0.7001 0.3327 0.3327 2.2156 2.2156 2.2823 2.2823 2.3329 2.3329 2.6856 2.6856 3.4062 3.4062 3.4415 3.4415 7.3474 7.3474 8.7217 8.7217 9.0349 9.0349 9.7450 9.7450 k =-0.3998 0.4630-0.0000 ( 4448 PWs) bands (ev): -9.3452 -9.3452 -9.3338 -9.3338 -6.7805 -6.7805 -6.7733 -6.7733 -6.7712 -6.7712 -6.7622 -6.7622 -4.6452 -4.6452 -4.6230 -4.6230 -4.6089 -4.6089 -4.5826 -4.5826 -4.5591 -4.5591 -4.5322 -4.5322 -0.7199 -0.7199 0.3188 0.3188 2.2266 2.2266 2.3013 2.3013 2.3453 2.3453 2.6851 2.6851 3.4317 3.4317 3.4700 3.4700 7.3288 7.3288 8.6493 8.6493 8.9770 8.9770 9.7147 9.7147 k =-0.3932 0.4824-0.0000 ( 4456 PWs) bands (ev): -9.3419 -9.3419 -9.3286 -9.3286 -6.7809 -6.7809 -6.7739 -6.7739 -6.7712 -6.7712 -6.7624 -6.7624 -4.6473 -4.6473 -4.6238 -4.6238 -4.6079 -4.6079 -4.5813 -4.5813 -4.5602 -4.5602 -4.5334 -4.5334 -0.7400 -0.7400 0.3048 0.3048 2.2366 2.2366 2.3210 2.3210 2.3596 2.3596 2.6853 2.6853 3.4572 3.4572 3.4993 3.4993 7.3083 7.3083 8.5669 8.5669 8.9190 8.9190 9.6739 9.6739 k =-0.3865 0.5018-0.0000 ( 4456 PWs) bands (ev): -9.3385 -9.3385 -9.3232 -9.3232 -6.7814 -6.7814 -6.7745 -6.7745 -6.7711 -6.7711 -6.7625 -6.7625 -4.6494 -4.6494 -4.6247 -4.6247 -4.6069 -4.6069 -4.5799 -4.5799 -4.5613 -4.5613 -4.5347 -4.5347 -0.7602 -0.7602 0.2908 0.2908 2.2455 2.2455 2.3413 2.3413 2.3757 2.3757 2.6864 2.6864 3.4827 3.4827 3.5294 3.5294 7.2860 7.2860 8.4767 8.4767 8.8611 8.8611 9.5864 9.5864 k =-0.3798 0.5212-0.0000 ( 4460 PWs) bands (ev): -9.3351 -9.3351 -9.3176 -9.3176 -6.7819 -6.7819 -6.7750 -6.7750 -6.7711 -6.7711 -6.7627 -6.7627 -4.6515 -4.6515 -4.6257 -4.6257 -4.6059 -4.6059 -4.5786 -4.5786 -4.5624 -4.5624 -4.5359 -4.5359 -0.7804 -0.7804 0.2769 0.2769 2.2534 2.2534 2.3620 2.3620 2.3934 2.3934 2.6882 2.6882 3.5083 3.5083 3.5598 3.5598 7.2615 7.2615 8.3810 8.3810 8.8039 8.8039 9.4683 9.4683 k =-0.3731 0.5406-0.0000 ( 4468 PWs) bands (ev): -9.3318 -9.3318 -9.3120 -9.3120 -6.7825 -6.7825 -6.7756 -6.7756 -6.7710 -6.7710 -6.7628 -6.7628 -4.6535 -4.6535 -4.6267 -4.6267 -4.6049 -4.6049 -4.5772 -4.5772 -4.5635 -4.5635 -4.5372 -4.5372 -0.8005 -0.8005 0.2632 0.2632 2.2603 2.2603 2.3830 2.3830 2.4123 2.4123 2.6908 2.6908 3.5339 3.5339 3.5905 3.5905 7.2348 7.2348 8.2818 8.2818 8.7476 8.7476 9.3463 9.3463 k =-0.3665 0.5600-0.0000 ( 4464 PWs) bands (ev): -9.3285 -9.3285 -9.3063 -9.3063 -6.7832 -6.7832 -6.7760 -6.7760 -6.7709 -6.7709 -6.7630 -6.7630 -4.6556 -4.6556 -4.6278 -4.6278 -4.6039 -4.6039 -4.5757 -4.5757 -4.5645 -4.5645 -4.5385 -4.5385 -0.8202 -0.8202 0.2498 0.2498 2.2661 2.2661 2.4041 2.4041 2.4323 2.4323 2.6942 2.6942 3.5595 3.5595 3.6212 3.6212 7.2057 7.2057 8.1808 8.1808 8.6929 8.6929 9.2275 9.2275 k =-0.3598 0.5794-0.0000 ( 4464 PWs) bands (ev): -9.3254 -9.3254 -9.3005 -9.3005 -6.7839 -6.7839 -6.7764 -6.7764 -6.7709 -6.7709 -6.7631 -6.7631 -4.6576 -4.6576 -4.6289 -4.6289 -4.6030 -4.6030 -4.5743 -4.5743 -4.5655 -4.5655 -4.5399 -4.5399 -0.8393 -0.8393 0.2369 0.2369 2.2709 2.2709 2.4250 2.4250 2.4530 2.4530 2.6982 2.6982 3.5851 3.5851 3.6516 3.6516 7.1738 7.1738 8.0795 8.0795 8.6399 8.6399 9.1145 9.1145 k =-0.3531 0.5988-0.0000 ( 4465 PWs) bands (ev): -9.3224 -9.3224 -9.2948 -9.2948 -6.7847 -6.7847 -6.7768 -6.7768 -6.7708 -6.7708 -6.7632 -6.7632 -4.6596 -4.6596 -4.6301 -4.6301 -4.6020 -4.6020 -4.5729 -4.5729 -4.5664 -4.5664 -4.5411 -4.5411 -0.8579 -0.8579 0.2245 0.2245 2.2747 2.2747 2.4453 2.4453 2.4744 2.4744 2.7030 2.7030 3.6107 3.6107 3.6816 3.6816 7.1392 7.1392 7.9791 7.9791 8.5891 8.5891 9.0084 9.0084 k =-0.3464 0.6182-0.0000 ( 4469 PWs) bands (ev): -9.3196 -9.3196 -9.2891 -9.2891 -6.7855 -6.7855 -6.7770 -6.7770 -6.7707 -6.7707 -6.7633 -6.7633 -4.6615 -4.6615 -4.6312 -4.6312 -4.6012 -4.6012 -4.5715 -4.5715 -4.5671 -4.5671 -4.5424 -4.5424 -0.8756 -0.8756 0.2129 0.2129 2.2773 2.2773 2.4650 2.4650 2.4962 2.4962 2.7083 2.7083 3.6362 3.6362 3.7108 3.7108 7.1015 7.1015 7.8807 7.8807 8.5407 8.5407 8.9103 8.9103 k =-0.3397 0.6376-0.0000 ( 4483 PWs) bands (ev): -9.3169 -9.3169 -9.2834 -9.2834 -6.7864 -6.7864 -6.7772 -6.7772 -6.7707 -6.7707 -6.7635 -6.7635 -4.6633 -4.6633 -4.6324 -4.6324 -4.6004 -4.6004 -4.5704 -4.5704 -4.5677 -4.5677 -4.5437 -4.5437 -0.8924 -0.8924 0.2020 0.2020 2.2786 2.2786 2.4837 2.4837 2.5182 2.5182 2.7142 2.7142 3.6617 3.6617 3.7390 3.7390 7.0608 7.0608 7.7853 7.7853 8.4946 8.4946 8.8210 8.8210 k =-0.3331 0.6570-0.0000 ( 4481 PWs) bands (ev): -9.3145 -9.3145 -9.2779 -9.2779 -6.7872 -6.7872 -6.7774 -6.7774 -6.7706 -6.7706 -6.7636 -6.7636 -4.6650 -4.6650 -4.6336 -4.6336 -4.5996 -4.5996 -4.5698 -4.5698 -4.5676 -4.5676 -4.5449 -4.5449 -0.9082 -0.9082 0.1920 0.1920 2.2786 2.2786 2.5012 2.5012 2.5403 2.5403 2.7206 2.7206 3.6870 3.6870 3.7660 3.7660 7.0168 7.0168 7.6939 7.6939 8.4507 8.4507 8.7414 8.7414 k =-0.3264 0.6763-0.0000 ( 4471 PWs) bands (ev): -9.3124 -9.3124 -9.2724 -9.2724 -6.7881 -6.7881 -6.7774 -6.7774 -6.7706 -6.7706 -6.7637 -6.7637 -4.6665 -4.6665 -4.6348 -4.6348 -4.5989 -4.5989 -4.5700 -4.5700 -4.5667 -4.5667 -4.5460 -4.5460 -0.9228 -0.9228 0.1830 0.1830 2.2771 2.2771 2.5174 2.5174 2.5622 2.5622 2.7275 2.7275 3.7121 3.7121 3.7913 3.7913 6.9699 6.9699 7.6073 7.6073 8.4089 8.4089 8.6722 8.6722 k =-0.3197 0.6957-0.0000 ( 4471 PWs) bands (ev): -9.3106 -9.3106 -9.2671 -9.2671 -6.7891 -6.7891 -6.7774 -6.7774 -6.7705 -6.7705 -6.7638 -6.7638 -4.6680 -4.6680 -4.6360 -4.6360 -4.5982 -4.5982 -4.5705 -4.5705 -4.5656 -4.5656 -4.5470 -4.5470 -0.9360 -0.9360 0.1751 0.1751 2.2741 2.2741 2.5321 2.5321 2.5836 2.5836 2.7348 2.7348 3.7370 3.7370 3.8148 3.8148 6.9201 6.9201 7.5263 7.5263 8.3690 8.3690 8.6141 8.6141 k =-0.3130 0.7151-0.0000 ( 4477 PWs) bands (ev): -9.3091 -9.3091 -9.2620 -9.2620 -6.7900 -6.7900 -6.7772 -6.7772 -6.7705 -6.7705 -6.7639 -6.7639 -4.6693 -4.6693 -4.6372 -4.6372 -4.5976 -4.5976 -4.5709 -4.5709 -4.5644 -4.5644 -4.5480 -4.5480 -0.9479 -0.9479 0.1683 0.1683 2.2693 2.2693 2.5451 2.5451 2.6045 2.6045 2.7425 2.7425 3.7614 3.7614 3.8359 3.8359 6.8680 6.8680 7.4517 7.4517 8.3309 8.3309 8.5672 8.5672 k =-0.3064 0.7345-0.0000 ( 4479 PWs) bands (ev): -9.3079 -9.3079 -9.2572 -9.2572 -6.7909 -6.7909 -6.7770 -6.7770 -6.7705 -6.7705 -6.7640 -6.7640 -4.6705 -4.6705 -4.6383 -4.6383 -4.5971 -4.5971 -4.5714 -4.5714 -4.5632 -4.5632 -4.5489 -4.5489 -0.9582 -0.9582 0.1628 0.1628 2.2628 2.2628 2.5563 2.5563 2.6245 2.6245 2.7505 2.7505 3.7852 3.7852 3.8544 3.8544 6.8141 6.8141 7.3841 7.3841 8.2950 8.2950 8.5314 8.5314 k =-0.2997 0.7539-0.0000 ( 4477 PWs) bands (ev): -9.3071 -9.3071 -9.2525 -9.2525 -6.7918 -6.7918 -6.7767 -6.7767 -6.7704 -6.7704 -6.7641 -6.7641 -4.6714 -4.6714 -4.6395 -4.6395 -4.5967 -4.5967 -4.5718 -4.5718 -4.5621 -4.5621 -4.5496 -4.5496 -0.9670 -0.9670 0.1585 0.1585 2.2545 2.2545 2.5655 2.5655 2.6436 2.6436 2.7588 2.7588 3.8081 3.8081 3.8700 3.8700 6.7592 6.7592 7.3239 7.3239 8.2621 8.2621 8.5056 8.5056 k =-0.2930 0.7733-0.0000 ( 4485 PWs) bands (ev): -9.3067 -9.3067 -9.2481 -9.2481 -6.7927 -6.7927 -6.7764 -6.7764 -6.7704 -6.7704 -6.7642 -6.7642 -4.6722 -4.6722 -4.6405 -4.6405 -4.5963 -4.5963 -4.5722 -4.5722 -4.5611 -4.5611 -4.5503 -4.5503 -0.9741 -0.9741 0.1557 0.1557 2.2442 2.2442 2.5726 2.5726 2.6614 2.6614 2.7674 2.7674 3.8298 3.8298 3.8822 3.8822 6.7043 6.7043 7.2716 7.2716 8.2330 8.2330 8.4890 8.4890 k =-0.2863 0.7927-0.0000 ( 4477 PWs) bands (ev): -9.3067 -9.3067 -9.2440 -9.2440 -6.7935 -6.7935 -6.7759 -6.7759 -6.7703 -6.7703 -6.7643 -6.7643 -4.6729 -4.6729 -4.6416 -4.6416 -4.5959 -4.5959 -4.5726 -4.5726 -4.5602 -4.5602 -4.5508 -4.5508 -0.9794 -0.9794 0.1542 0.1542 2.2321 2.2321 2.5775 2.5775 2.6780 2.6780 2.7762 2.7762 3.8500 3.8500 3.8909 3.8909 6.6506 6.6506 7.2275 7.2275 8.2087 8.2087 8.4803 8.4803 k =-0.2796 0.8121-0.0000 ( 4469 PWs) bands (ev): -9.3071 -9.3071 -9.2403 -9.2403 -6.7944 -6.7944 -6.7753 -6.7753 -6.7703 -6.7703 -6.7643 -6.7643 -4.6733 -4.6733 -4.6426 -4.6426 -4.5956 -4.5956 -4.5729 -4.5729 -4.5594 -4.5594 -4.5511 -4.5511 -0.9829 -0.9829 0.1542 0.1542 2.2180 2.2180 2.5801 2.5801 2.6931 2.6931 2.7851 2.7851 3.8680 3.8680 3.8960 3.8960 6.5991 6.5991 7.1919 7.1919 8.1897 8.1897 8.4787 8.4787 k =-0.2796 0.8121-0.0000 ( 4469 PWs) bands (ev): -9.3071 -9.3071 -9.2403 -9.2403 -6.7944 -6.7944 -6.7753 -6.7753 -6.7703 -6.7703 -6.7643 -6.7643 -4.6733 -4.6733 -4.6426 -4.6426 -4.5956 -4.5956 -4.5729 -4.5729 -4.5594 -4.5594 -4.5511 -4.5511 -0.9829 -0.9829 0.1542 0.1542 2.2180 2.2180 2.5801 2.5801 2.6931 2.6931 2.7851 2.7851 3.8680 3.8680 3.8960 3.8960 6.5991 6.5991 7.1919 7.1919 8.1897 8.1897 8.4787 8.4787 k =-0.2796 0.8121 0.0203 ( 4477 PWs) bands (ev): -9.3071 -9.3071 -9.2403 -9.2403 -6.7944 -6.7944 -6.7754 -6.7754 -6.7702 -6.7702 -6.7641 -6.7641 -4.6731 -4.6731 -4.6425 -4.6425 -4.5955 -4.5955 -4.5730 -4.5730 -4.5593 -4.5593 -4.5509 -4.5509 -0.9817 -0.9817 0.1550 0.1550 2.2164 2.2164 2.5772 2.5772 2.6921 2.6921 2.7849 2.7849 3.8660 3.8660 3.8913 3.8913 6.6010 6.6010 7.1958 7.1958 8.1927 8.1927 8.4814 8.4814 k =-0.2796 0.8121 0.0407 ( 4468 PWs) bands (ev): -9.3071 -9.3071 -9.2406 -9.2406 -6.7944 -6.7944 -6.7757 -6.7757 -6.7699 -6.7699 -6.7633 -6.7633 -4.6727 -4.6727 -4.6423 -4.6423 -4.5953 -4.5953 -4.5733 -4.5733 -4.5590 -4.5590 -4.5504 -4.5504 -0.9779 -0.9779 0.1576 0.1576 2.2117 2.2117 2.5687 2.5687 2.6891 2.6891 2.7841 2.7841 3.8591 3.8591 3.8787 3.8787 6.6069 6.6069 7.2073 7.2073 8.2014 8.2014 8.4897 8.4897 k =-0.2796 0.8121 0.0610 ( 4472 PWs) bands (ev): -9.3072 -9.3072 -9.2410 -9.2410 -6.7945 -6.7945 -6.7760 -6.7760 -6.7693 -6.7693 -6.7621 -6.7621 -4.6719 -4.6719 -4.6420 -4.6420 -4.5949 -4.5949 -4.5737 -4.5737 -4.5586 -4.5586 -4.5496 -4.5496 -0.9715 -0.9715 0.1618 0.1618 2.2037 2.2037 2.5551 2.5551 2.6842 2.6842 2.7827 2.7827 3.8418 3.8418 3.8636 3.8636 6.6165 6.6165 7.2264 7.2264 8.2156 8.2156 8.5036 8.5036 k =-0.2796 0.8121 0.0814 ( 4474 PWs) bands (ev): -9.3072 -9.3072 -9.2416 -9.2416 -6.7945 -6.7945 -6.7764 -6.7764 -6.7685 -6.7685 -6.7605 -6.7605 -4.6709 -4.6709 -4.6416 -4.6416 -4.5945 -4.5945 -4.5742 -4.5742 -4.5579 -4.5579 -4.5485 -4.5485 -0.9627 -0.9627 0.1677 0.1677 2.1924 2.1924 2.5369 2.5369 2.6776 2.6776 2.7803 2.7803 3.8106 3.8106 3.8501 3.8501 6.6298 6.6298 7.2529 7.2529 8.2345 8.2345 8.5235 8.5235 k =-0.2796 0.8121 0.1017 ( 4480 PWs) bands (ev): -9.3073 -9.3073 -9.2423 -9.2423 -6.7946 -6.7946 -6.7768 -6.7768 -6.7675 -6.7675 -6.7586 -6.7586 -4.6696 -4.6696 -4.6411 -4.6411 -4.5940 -4.5940 -4.5746 -4.5746 -4.5570 -4.5570 -4.5473 -4.5473 -0.9513 -0.9513 0.1753 0.1753 2.1776 2.1776 2.5146 2.5146 2.6697 2.6697 2.7764 2.7764 3.7693 3.7693 3.8352 3.8352 6.6468 6.6468 7.2864 7.2864 8.2577 8.2577 8.5493 8.5493 k =-0.2796 0.8121 0.1221 ( 4476 PWs) bands (ev): -9.3074 -9.3074 -9.2432 -9.2432 -6.7947 -6.7947 -6.7772 -6.7772 -6.7662 -6.7662 -6.7565 -6.7565 -4.6681 -4.6681 -4.6405 -4.6405 -4.5936 -4.5936 -4.5748 -4.5748 -4.5559 -4.5559 -4.5459 -4.5459 -0.9374 -0.9374 0.1844 0.1844 2.1593 2.1593 2.4890 2.4890 2.6611 2.6611 2.7706 2.7706 3.7204 3.7204 3.8171 3.8171 6.6672 6.6672 7.3266 7.3266 8.2845 8.2845 8.5808 8.5808 k =-0.2796 0.8121 0.1424 ( 4470 PWs) bands (ev): -9.3075 -9.3075 -9.2443 -9.2443 -6.7948 -6.7948 -6.7775 -6.7775 -6.7647 -6.7647 -6.7542 -6.7542 -4.6664 -4.6664 -4.6397 -4.6397 -4.5933 -4.5933 -4.5746 -4.5746 -4.5546 -4.5546 -4.5445 -4.5445 -0.9209 -0.9209 0.1951 0.1951 2.1374 2.1374 2.4604 2.4604 2.6521 2.6521 2.7624 2.7624 3.6654 3.6654 3.7955 3.7955 6.6909 6.6909 7.3731 7.3731 8.3145 8.3145 8.6176 8.6176 k =-0.2796 0.8121 0.1628 ( 4469 PWs) bands (ev): -9.3076 -9.3076 -9.2455 -9.2455 -6.7949 -6.7949 -6.7778 -6.7778 -6.7630 -6.7630 -6.7517 -6.7517 -4.6645 -4.6645 -4.6388 -4.6388 -4.5933 -4.5933 -4.5740 -4.5740 -4.5531 -4.5531 -4.5430 -4.5430 -0.9020 -0.9020 0.2073 0.2073 2.1119 2.1119 2.4295 2.4295 2.6433 2.6433 2.7512 2.7512 3.6058 3.6058 3.7700 3.7700 6.7177 6.7177 7.4253 7.4253 8.3477 8.3477 8.6587 8.6587 k =-0.2796 0.8121 0.1831 ( 4467 PWs) bands (ev): -9.3077 -9.3077 -9.2468 -9.2468 -6.7950 -6.7950 -6.7781 -6.7781 -6.7611 -6.7611 -6.7490 -6.7490 -4.6625 -4.6625 -4.6378 -4.6378 -4.5935 -4.5935 -4.5729 -4.5729 -4.5514 -4.5514 -4.5415 -4.5415 -0.8805 -0.8805 0.2209 0.2209 2.0830 2.0830 2.3966 2.3966 2.6349 2.6349 2.7365 2.7365 3.5431 3.5431 3.7405 3.7405 6.7476 6.7476 7.4827 7.4827 8.3840 8.3840 8.7030 8.7030 k =-0.2796 0.8121 0.2034 ( 4465 PWs) bands (ev): -9.3079 -9.3079 -9.2483 -9.2483 -6.7950 -6.7950 -6.7784 -6.7784 -6.7589 -6.7589 -6.7462 -6.7462 -4.6605 -4.6605 -4.6366 -4.6366 -4.5940 -4.5940 -4.5714 -4.5714 -4.5495 -4.5495 -4.5399 -4.5399 -0.8566 -0.8566 0.2359 0.2359 2.0510 2.0510 2.3623 2.3623 2.6270 2.6270 2.7176 2.7176 3.4790 3.4790 3.7071 3.7071 6.7803 6.7803 7.5447 7.5447 8.4234 8.4234 8.7492 8.7492 k =-0.2796 0.8121 0.2238 ( 4469 PWs) bands (ev): -9.3080 -9.3080 -9.2499 -9.2499 -6.7950 -6.7950 -6.7786 -6.7786 -6.7566 -6.7566 -6.7433 -6.7433 -4.6584 -4.6584 -4.6353 -4.6353 -4.5946 -4.5946 -4.5695 -4.5695 -4.5474 -4.5474 -4.5383 -4.5383 -0.8302 -0.8302 0.2521 0.2521 2.0162 2.0162 2.3271 2.3271 2.6196 2.6196 2.6939 2.6939 3.4153 3.4153 3.6698 3.6698 6.8157 6.8157 7.6106 7.6106 8.4661 8.4661 8.7959 8.7959 k =-0.2796 0.8121 0.2441 ( 4467 PWs) bands (ev): -9.3081 -9.3081 -9.2516 -9.2516 -6.7951 -6.7951 -6.7789 -6.7789 -6.7541 -6.7541 -6.7403 -6.7403 -4.6564 -4.6564 -4.6338 -4.6338 -4.5953 -4.5953 -4.5673 -4.5673 -4.5451 -4.5451 -4.5367 -4.5367 -0.8013 -0.8013 0.2694 0.2694 1.9791 1.9791 2.2913 2.2913 2.6117 2.6117 2.6654 2.6654 3.3535 3.3535 3.6289 3.6289 6.8536 6.8536 7.6796 7.6796 8.5119 8.5119 8.8420 8.8420 k =-0.2796 0.8121 0.2645 ( 4465 PWs) bands (ev): -9.3081 -9.3081 -9.2533 -9.2533 -6.7950 -6.7950 -6.7791 -6.7791 -6.7515 -6.7515 -6.7373 -6.7373 -4.6544 -4.6544 -4.6322 -4.6322 -4.5961 -4.5961 -4.5648 -4.5648 -4.5427 -4.5427 -4.5351 -4.5351 -0.7699 -0.7699 0.2878 0.2878 1.9400 1.9400 2.2554 2.2554 2.5985 2.5985 2.6359 2.6359 3.2955 3.2955 3.5846 3.5846 6.8938 6.8938 7.7510 7.7510 8.5606 8.5606 8.8864 8.8864 k =-0.2796 0.8121 0.2848 ( 4453 PWs) bands (ev): -9.3082 -9.3082 -9.2552 -9.2552 -6.7950 -6.7950 -6.7794 -6.7794 -6.7487 -6.7487 -6.7342 -6.7342 -4.6527 -4.6527 -4.6305 -4.6305 -4.5967 -4.5967 -4.5622 -4.5622 -4.5402 -4.5402 -4.5333 -4.5333 -0.7362 -0.7362 0.3070 0.3070 1.8996 1.8996 2.2197 2.2197 2.5667 2.5667 2.6182 2.6182 3.2424 3.2424 3.5372 3.5372 6.9363 6.9363 7.8240 7.8240 8.6119 8.6119 8.9285 8.9285 k =-0.2796 0.8121 0.3052 ( 4454 PWs) bands (ev): -9.3082 -9.3082 -9.2572 -9.2572 -6.7949 -6.7949 -6.7796 -6.7796 -6.7459 -6.7459 -6.7310 -6.7310 -4.6510 -4.6510 -4.6288 -4.6288 -4.5972 -4.5972 -4.5594 -4.5594 -4.5376 -4.5376 -4.5315 -4.5315 -0.7000 -0.7000 0.3268 0.3268 1.8581 1.8581 2.1847 2.1847 2.5173 2.5173 2.6108 2.6108 3.1951 3.1951 3.4873 3.4873 6.9808 6.9808 7.8976 7.8976 8.6653 8.6653 8.9680 8.9680 k =-0.2796 0.8121 0.3255 ( 4456 PWs) bands (ev): -9.3082 -9.3082 -9.2592 -9.2592 -6.7947 -6.7947 -6.7799 -6.7799 -6.7430 -6.7430 -6.7279 -6.7279 -4.6496 -4.6496 -4.6270 -4.6270 -4.5976 -4.5976 -4.5567 -4.5567 -4.5350 -4.5350 -4.5296 -4.5296 -0.6615 -0.6615 0.3471 0.3471 1.8162 1.8162 2.1507 2.1507 2.4581 2.4581 2.6062 2.6062 3.1539 3.1539 3.4353 3.4353 7.0270 7.0270 7.9707 7.9707 8.7198 8.7198 9.0051 9.0051 k =-0.2796 0.8121 0.3458 ( 4460 PWs) bands (ev): -9.3081 -9.3081 -9.2613 -9.2613 -6.7946 -6.7946 -6.7802 -6.7802 -6.7400 -6.7400 -6.7248 -6.7248 -4.6483 -4.6483 -4.6254 -4.6254 -4.5976 -4.5976 -4.5540 -4.5540 -4.5324 -4.5324 -4.5274 -4.5274 -0.6207 -0.6207 0.3676 0.3676 1.7741 1.7741 2.1179 2.1179 2.3921 2.3921 2.6023 2.6023 3.1184 3.1184 3.3818 3.3818 7.0750 7.0750 8.0423 8.0423 8.7746 8.7746 9.0406 9.0406 k =-0.2796 0.8121 0.3662 ( 4462 PWs) bands (ev): -9.3080 -9.3080 -9.2634 -9.2634 -6.7944 -6.7944 -6.7805 -6.7805 -6.7371 -6.7371 -6.7217 -6.7217 -4.6472 -4.6472 -4.6240 -4.6240 -4.5972 -4.5972 -4.5513 -4.5513 -4.5300 -4.5300 -4.5249 -4.5249 -0.5777 -0.5777 0.3880 0.3880 1.7324 1.7324 2.0864 2.0864 2.3211 2.3211 2.5983 2.5983 3.0880 3.0880 3.3276 3.3276 7.1244 7.1244 8.1111 8.1111 8.8281 8.8281 9.0759 9.0759 k =-0.2796 0.8121 0.3865 ( 4460 PWs) bands (ev): -9.3078 -9.3078 -9.2656 -9.2656 -6.7941 -6.7941 -6.7808 -6.7808 -6.7341 -6.7341 -6.7187 -6.7187 -4.6462 -4.6462 -4.6229 -4.6229 -4.5965 -4.5965 -4.5489 -4.5489 -4.5278 -4.5278 -4.5221 -4.5221 -0.5324 -0.5324 0.4079 0.4079 1.6914 1.6914 2.0559 2.0559 2.2476 2.2476 2.5937 2.5937 3.0617 3.0617 3.2733 3.2733 7.1752 7.1752 8.1756 8.1756 8.8789 8.8789 9.1126 9.1126 k =-0.2796 0.8121 0.4069 ( 4458 PWs) bands (ev): -9.3076 -9.3076 -9.2678 -9.2678 -6.7939 -6.7939 -6.7811 -6.7811 -6.7312 -6.7312 -6.7158 -6.7158 -4.6454 -4.6454 -4.6220 -4.6220 -4.5954 -4.5954 -4.5466 -4.5466 -4.5255 -4.5255 -4.5192 -4.5192 -0.4850 -0.4850 0.4271 0.4271 1.6513 1.6513 2.0250 2.0250 2.1746 2.1746 2.5877 2.5877 3.0387 3.0387 3.2201 3.2201 7.2272 7.2272 8.2342 8.2342 8.9259 8.9259 9.1526 9.1526 k =-0.2796 0.8121 0.4272 ( 4458 PWs) bands (ev): -9.3073 -9.3073 -9.2700 -9.2700 -6.7936 -6.7936 -6.7814 -6.7814 -6.7284 -6.7284 -6.7130 -6.7130 -4.6447 -4.6447 -4.6215 -4.6215 -4.5939 -4.5939 -4.5446 -4.5446 -4.5232 -4.5232 -4.5162 -4.5162 -0.4355 -0.4355 0.4450 0.4450 1.6126 1.6126 1.9897 1.9897 2.1079 2.1079 2.5798 2.5798 3.0181 3.0181 3.1689 3.1689 7.2801 7.2801 8.2853 8.2853 8.9685 8.9685 9.1969 9.1969 k =-0.2796 0.8121 0.4476 ( 4448 PWs) bands (ev): -9.3069 -9.3069 -9.2722 -9.2722 -6.7933 -6.7933 -6.7817 -6.7817 -6.7256 -6.7256 -6.7103 -6.7103 -4.6441 -4.6441 -4.6213 -4.6213 -4.5922 -4.5922 -4.5428 -4.5428 -4.5209 -4.5209 -4.5132 -4.5132 -0.3841 -0.3841 0.4611 0.4611 1.5755 1.5755 1.9423 1.9423 2.0569 2.0569 2.5692 2.5692 2.9992 2.9992 3.1210 3.1210 7.3338 7.3338 8.3272 8.3272 9.0076 9.0076 9.2453 9.2453 k =-0.2796 0.8121 0.4679 ( 4452 PWs) bands (ev): -9.3065 -9.3065 -9.2744 -9.2744 -6.7929 -6.7929 -6.7821 -6.7821 -6.7229 -6.7229 -6.7078 -6.7078 -4.6435 -4.6435 -4.6212 -4.6212 -4.5903 -4.5903 -4.5413 -4.5413 -4.5185 -4.5185 -4.5103 -4.5103 -0.3309 -0.3309 0.4749 0.4749 1.5403 1.5403 1.8802 1.8802 2.0257 2.0257 2.5550 2.5550 2.9813 2.9813 3.0778 3.0778 7.3881 7.3881 8.3587 8.3587 9.0448 9.0448 9.2966 9.2966 k =-0.2796 0.8121 0.4883 ( 4455 PWs) bands (ev): -9.3059 -9.3059 -9.2766 -9.2766 -6.7926 -6.7926 -6.7824 -6.7824 -6.7204 -6.7204 -6.7054 -6.7054 -4.6431 -4.6431 -4.6213 -4.6213 -4.5883 -4.5883 -4.5401 -4.5401 -4.5161 -4.5161 -4.5075 -4.5075 -0.2760 -0.2760 0.4858 0.4858 1.5072 1.5072 1.8107 1.8107 2.0081 2.0081 2.5364 2.5364 2.9638 2.9638 3.0407 3.0407 7.4427 7.4427 8.3793 8.3793 9.0816 9.0816 9.3490 9.3490 k =-0.2796 0.8121 0.5086 ( 4444 PWs) bands (ev): -9.3053 -9.3053 -9.2788 -9.2788 -6.7922 -6.7922 -6.7828 -6.7828 -6.7181 -6.7181 -6.7032 -6.7032 -4.6427 -4.6427 -4.6214 -4.6214 -4.5864 -4.5864 -4.5391 -4.5391 -4.5137 -4.5137 -4.5048 -4.5048 -0.2197 -0.2197 0.4929 0.4929 1.4765 1.4765 1.7403 1.7403 1.9992 1.9992 2.5128 2.5128 2.9464 2.9464 3.0106 3.0106 7.4974 7.4974 8.3888 8.3888 9.1186 9.1186 9.4008 9.4008 k =-0.2796 0.8121 0.5289 ( 4454 PWs) bands (ev): -9.3046 -9.3046 -9.2809 -9.2809 -6.7919 -6.7919 -6.7831 -6.7831 -6.7159 -6.7159 -6.7012 -6.7012 -4.6424 -4.6424 -4.6216 -4.6216 -4.5844 -4.5844 -4.5383 -4.5383 -4.5114 -4.5114 -4.5024 -4.5024 -0.1621 -0.1621 0.4956 0.4956 1.4484 1.4484 1.6724 1.6724 1.9968 1.9968 2.4841 2.4841 2.9297 2.9297 2.9872 2.9872 7.5517 7.5517 8.3883 8.3883 9.1558 9.1558 9.4507 9.4507 k =-0.2796 0.8121 0.5493 ( 4456 PWs) bands (ev): -9.3038 -9.3038 -9.2829 -9.2829 -6.7915 -6.7915 -6.7835 -6.7835 -6.7139 -6.7139 -6.6994 -6.6994 -4.6421 -4.6421 -4.6219 -4.6219 -4.5827 -4.5827 -4.5376 -4.5376 -4.5091 -4.5091 -4.5001 -4.5001 -0.1035 -0.1035 0.4932 0.4932 1.4232 1.4232 1.6088 1.6088 2.0002 2.0002 2.4505 2.4505 2.9151 2.9151 2.9691 2.9691 7.6054 7.6054 8.3789 8.3789 9.1924 9.1924 9.4973 9.4973 k =-0.2796 0.8121 0.5696 ( 4456 PWs) bands (ev): -9.3029 -9.3029 -9.2850 -9.2850 -6.7911 -6.7911 -6.7838 -6.7838 -6.7122 -6.7122 -6.6978 -6.6978 -4.6419 -4.6419 -4.6221 -4.6221 -4.5810 -4.5810 -4.5372 -4.5372 -4.5071 -4.5071 -4.4982 -4.4982 -0.0443 -0.0443 0.4847 0.4847 1.4010 1.4010 1.5510 1.5510 2.0090 2.0090 2.4129 2.4129 2.9036 2.9036 2.9546 2.9546 7.6576 7.6576 8.3625 8.3625 9.2272 9.2272 9.5397 9.5397 k =-0.2796 0.8121 0.5900 ( 4458 PWs) bands (ev): -9.3020 -9.3020 -9.2869 -9.2869 -6.7907 -6.7907 -6.7842 -6.7842 -6.7107 -6.7107 -6.6964 -6.6964 -4.6417 -4.6417 -4.6223 -4.6223 -4.5796 -4.5796 -4.5368 -4.5368 -4.5052 -4.5052 -4.4965 -4.4965 0.0152 0.0152 0.4698 0.4698 1.3822 1.3822 1.5002 1.5002 2.0229 2.0229 2.3726 2.3726 2.8955 2.8955 2.9425 2.9425 7.7077 7.7077 8.3408 8.3408 9.2591 9.2591 9.5769 9.5769 k =-0.2796 0.8121 0.6103 ( 4452 PWs) bands (ev): -9.3009 -9.3009 -9.2888 -9.2888 -6.7904 -6.7904 -6.7845 -6.7845 -6.7094 -6.7094 -6.6953 -6.6953 -4.6416 -4.6416 -4.6225 -4.6225 -4.5784 -4.5784 -4.5365 -4.5365 -4.5037 -4.5037 -4.4951 -4.4951 0.0744 0.0744 0.4480 0.4480 1.3670 1.3670 1.4571 1.4571 2.0416 2.0416 2.3308 2.3308 2.8905 2.8905 2.9324 2.9324 7.7544 7.7544 8.3161 8.3161 9.2869 9.2869 9.6083 9.6083 k =-0.2796 0.8121 0.6307 ( 4449 PWs) bands (ev): -9.2997 -9.2997 -9.2906 -9.2906 -6.7901 -6.7901 -6.7848 -6.7848 -6.7084 -6.7084 -6.6944 -6.6944 -4.6415 -4.6415 -4.6226 -4.6226 -4.5774 -4.5774 -4.5364 -4.5364 -4.5024 -4.5024 -4.4940 -4.4940 0.1327 0.1327 0.4192 0.4192 1.3558 1.3558 1.4224 1.4224 2.0647 2.0647 2.2887 2.2887 2.8881 2.8881 2.9238 2.9238 7.7960 7.7960 8.2910 8.2910 9.3095 9.3095 9.6333 9.6333 k =-0.2796 0.8121 0.6510 ( 4454 PWs) bands (ev): -9.2984 -9.2984 -9.2923 -9.2923 -6.7899 -6.7899 -6.7850 -6.7850 -6.7077 -6.7077 -6.6938 -6.6938 -4.6414 -4.6414 -4.6227 -4.6227 -4.5767 -4.5767 -4.5362 -4.5362 -4.5015 -4.5015 -4.4932 -4.4932 0.1895 0.1895 0.3837 0.3837 1.3486 1.3486 1.3965 1.3965 2.0914 2.0914 2.2480 2.2480 2.8876 2.8876 2.9168 2.9168 7.8298 7.8298 8.2685 8.2685 9.3263 9.3263 9.6514 9.6514 k =-0.2796 0.8121 0.6714 ( 4460 PWs) bands (ev): -9.2971 -9.2971 -9.2939 -9.2939 -6.7897 -6.7897 -6.7852 -6.7852 -6.7073 -6.7073 -6.6934 -6.6934 -4.6413 -4.6413 -4.6228 -4.6228 -4.5763 -4.5763 -4.5362 -4.5362 -4.5009 -4.5009 -4.4928 -4.4928 0.2438 0.2438 0.3421 0.3421 1.3452 1.3452 1.3799 1.3799 2.1197 2.1197 2.2111 2.2111 2.8881 2.8881 2.9121 2.9121 7.8524 7.8524 8.2525 8.2525 9.3366 9.3366 9.6625 9.6625 k =-0.2796 0.8121 0.6917 ( 4462 PWs) bands (ev): -9.2961 -9.2961 -9.2950 -9.2950 -6.7897 -6.7897 -6.7852 -6.7852 -6.7072 -6.7072 -6.6933 -6.6933 -4.6413 -4.6413 -4.6228 -4.6228 -4.5761 -4.5761 -4.5362 -4.5362 -4.5007 -4.5007 -4.4926 -4.4926 0.2912 0.2912 0.2990 0.2990 1.3444 1.3444 1.3740 1.3740 2.1373 2.1373 2.1906 2.1906 2.8884 2.8884 2.9103 2.9103 7.8604 7.8604 8.2466 8.2466 9.3401 9.3401 9.6661 9.6661 k =-0.2796 0.8121 0.6917 ( 4462 PWs) bands (ev): -9.2961 -9.2961 -9.2950 -9.2950 -6.7897 -6.7897 -6.7852 -6.7852 -6.7072 -6.7072 -6.6933 -6.6933 -4.6413 -4.6413 -4.6228 -4.6228 -4.5761 -4.5761 -4.5362 -4.5362 -4.5007 -4.5007 -4.4926 -4.4926 0.2912 0.2912 0.2990 0.2990 1.3444 1.3444 1.3740 1.3740 2.1373 2.1373 2.1906 2.1906 2.8884 2.8884 2.9103 2.9103 7.8604 7.8604 8.2466 8.2466 9.3401 9.3401 9.6661 9.6661 k =-0.2863 0.7927 0.6917 ( 4478 PWs) bands (ev): -9.2960 -9.2960 -9.2951 -9.2951 -6.7898 -6.7898 -6.7854 -6.7854 -6.7080 -6.7080 -6.6948 -6.6948 -4.6416 -4.6416 -4.6235 -4.6235 -4.5756 -4.5756 -4.5369 -4.5369 -4.5025 -4.5025 -4.4946 -4.4946 0.2466 0.2466 0.2546 0.2546 1.3645 1.3645 1.3930 1.3930 2.1883 2.1883 2.2436 2.2436 2.9019 2.9019 2.9279 2.9279 7.8212 7.8212 8.2006 8.2006 9.3470 9.3470 9.6579 9.6579 k =-0.2930 0.7733 0.6917 ( 4466 PWs) bands (ev): -9.2960 -9.2960 -9.2951 -9.2951 -6.7899 -6.7899 -6.7856 -6.7856 -6.7091 -6.7091 -6.6965 -6.6965 -4.6418 -4.6418 -4.6243 -4.6243 -4.5752 -4.5752 -4.5378 -4.5378 -4.5047 -4.5047 -4.4970 -4.4970 0.1983 0.1983 0.2064 0.2064 1.3899 1.3899 1.4175 1.4175 2.2414 2.2414 2.2989 2.2989 2.9168 2.9168 2.9473 2.9473 7.7797 7.7797 8.1512 8.1512 9.3546 9.3546 9.6483 9.6483 k =-0.2997 0.7539 0.6917 ( 4454 PWs) bands (ev): -9.2959 -9.2959 -9.2953 -9.2953 -6.7901 -6.7901 -6.7859 -6.7859 -6.7104 -6.7104 -6.6984 -6.6984 -4.6420 -4.6420 -4.6251 -4.6251 -4.5748 -4.5748 -4.5387 -4.5387 -4.5071 -4.5071 -4.4996 -4.4996 0.1475 0.1475 0.1556 0.1556 1.4199 1.4199 1.4467 1.4467 2.2957 2.2957 2.3556 2.3556 2.9336 2.9336 2.9689 2.9689 7.7358 7.7358 8.0987 8.0987 9.3627 9.3627 9.6378 9.6378 k =-0.3064 0.7345 0.6917 ( 4452 PWs) bands (ev): -9.2960 -9.2960 -9.2954 -9.2954 -6.7902 -6.7902 -6.7861 -6.7861 -6.7119 -6.7119 -6.7005 -6.7005 -4.6423 -4.6423 -4.6260 -4.6260 -4.5744 -4.5744 -4.5397 -4.5397 -4.5098 -4.5098 -4.5024 -4.5024 0.0951 0.0951 0.1032 0.1032 1.4538 1.4538 1.4799 1.4799 2.3503 2.3503 2.4128 2.4128 2.9527 2.9527 2.9931 2.9931 7.6897 7.6897 8.0431 8.0431 9.3714 9.3714 9.6263 9.6263 k =-0.3130 0.7151 0.6917 ( 4448 PWs) bands (ev): -9.2961 -9.2961 -9.2956 -9.2956 -6.7904 -6.7904 -6.7864 -6.7864 -6.7135 -6.7135 -6.7027 -6.7027 -4.6425 -4.6425 -4.6269 -4.6269 -4.5741 -4.5741 -4.5408 -4.5408 -4.5128 -4.5128 -4.5056 -4.5056 0.0419 0.0419 0.0499 0.0499 1.4913 1.4913 1.5167 1.5167 2.4040 2.4040 2.4691 2.4691 2.9750 2.9750 3.0204 3.0204 7.6415 7.6415 7.9848 7.9848 9.3806 9.3806 9.6142 9.6142 k =-0.3197 0.6957 0.6917 ( 4448 PWs) bands (ev): -9.2962 -9.2962 -9.2959 -9.2959 -6.7906 -6.7906 -6.7866 -6.7866 -6.7153 -6.7153 -6.7052 -6.7052 -4.6428 -4.6428 -4.6278 -4.6278 -4.5738 -4.5738 -4.5419 -4.5419 -4.5159 -4.5159 -4.5089 -4.5089 -0.0116 -0.0116 -0.0037 -0.0037 1.5318 1.5318 1.5566 1.5566 2.4559 2.4559 2.5234 2.5234 3.0012 3.0012 3.0515 3.0515 7.5912 7.5912 7.9241 7.9241 9.3901 9.3901 9.6015 9.6015 k =-0.3264 0.6763 0.6917 ( 4456 PWs) bands (ev): -9.2963 -9.2963 -9.2961 -9.2961 -6.7908 -6.7908 -6.7869 -6.7869 -6.7173 -6.7173 -6.7077 -6.7077 -4.6431 -4.6431 -4.6287 -4.6287 -4.5736 -4.5736 -4.5432 -4.5432 -4.5192 -4.5192 -4.5125 -4.5125 -0.0648 -0.0648 -0.0571 -0.0571 1.5751 1.5751 1.5994 1.5994 2.5048 2.5048 2.5742 2.5742 3.0323 3.0323 3.0869 3.0869 7.5390 7.5390 7.8612 7.8612 9.4000 9.4000 9.5885 9.5885 k =-0.3331 0.6570 0.6917 ( 4452 PWs) bands (ev): -9.2965 -9.2965 -9.2964 -9.2964 -6.7910 -6.7910 -6.7872 -6.7872 -6.7194 -6.7194 -6.7104 -6.7104 -4.6434 -4.6434 -4.6297 -4.6297 -4.5734 -4.5734 -4.5445 -4.5445 -4.5227 -4.5227 -4.5162 -4.5162 -0.1173 -0.1173 -0.1098 -0.1098 1.6209 1.6209 1.6447 1.6447 2.5499 2.5499 2.6203 2.6203 3.0691 3.0691 3.1271 3.1271 7.4851 7.4851 7.7963 7.7963 9.4102 9.4102 9.5752 9.5752 k =-0.3397 0.6376 0.6917 ( 4456 PWs) bands (ev): -9.2968 -9.2968 -9.2967 -9.2967 -6.7912 -6.7912 -6.7875 -6.7875 -6.7216 -6.7216 -6.7132 -6.7132 -4.6437 -4.6437 -4.6307 -4.6307 -4.5732 -4.5732 -4.5460 -4.5460 -4.5262 -4.5262 -4.5201 -4.5201 -0.1689 -0.1689 -0.1616 -0.1616 1.6690 1.6690 1.6924 1.6924 2.5906 2.5906 2.6607 2.6607 3.1119 3.1119 3.1723 3.1723 7.4295 7.4295 7.7298 7.7298 9.4205 9.4205 9.5617 9.5617 k =-0.3464 0.6182 0.6917 ( 4456 PWs) bands (ev): -9.2971 -9.2971 -9.2970 -9.2970 -6.7914 -6.7914 -6.7878 -6.7878 -6.7240 -6.7240 -6.7160 -6.7160 -4.6440 -4.6440 -4.6317 -4.6317 -4.5731 -4.5731 -4.5476 -4.5476 -4.5297 -4.5297 -4.5241 -4.5241 -0.2193 -0.2193 -0.2123 -0.2123 1.7192 1.7192 1.7423 1.7423 2.6265 2.6265 2.6951 2.6951 3.1608 3.1608 3.2222 3.2222 7.3726 7.3726 7.6618 7.6618 9.4310 9.4310 9.5481 9.5481 k =-0.3531 0.5988 0.6917 ( 4458 PWs) bands (ev): -9.2974 -9.2974 -9.2973 -9.2973 -6.7917 -6.7917 -6.7881 -6.7881 -6.7264 -6.7264 -6.7190 -6.7190 -4.6443 -4.6443 -4.6327 -4.6327 -4.5730 -4.5730 -4.5494 -4.5494 -4.5331 -4.5331 -4.5282 -4.5282 -0.2683 -0.2683 -0.2615 -0.2615 1.7714 1.7714 1.7941 1.7941 2.6578 2.6578 2.7238 2.7238 3.2151 3.2151 3.2765 3.2765 7.3146 7.3146 7.5928 7.5928 9.4416 9.4416 9.5346 9.5346 k =-0.3598 0.5794 0.6917 ( 4454 PWs) bands (ev): -9.2978 -9.2978 -9.2976 -9.2976 -6.7919 -6.7919 -6.7884 -6.7884 -6.7289 -6.7289 -6.7219 -6.7219 -4.6447 -4.6447 -4.6337 -4.6337 -4.5730 -4.5730 -4.5514 -4.5514 -4.5365 -4.5365 -4.5323 -4.5323 -0.3157 -0.3157 -0.3091 -0.3091 1.8252 1.8252 1.8477 1.8477 2.6846 2.6846 2.7475 2.7475 3.2736 3.2736 3.3344 3.3344 7.2557 7.2557 7.5230 7.5230 9.4521 9.4521 9.5211 9.5211 k =-0.3665 0.5600 0.6917 ( 4442 PWs) bands (ev): -9.2982 -9.2982 -9.2979 -9.2979 -6.7921 -6.7921 -6.7887 -6.7887 -6.7314 -6.7314 -6.7249 -6.7249 -4.6450 -4.6450 -4.6347 -4.6347 -4.5730 -4.5730 -4.5536 -4.5536 -4.5396 -4.5396 -4.5365 -4.5365 -0.3613 -0.3613 -0.3551 -0.3551 1.8805 1.8805 1.9028 1.9028 2.7075 2.7075 2.7668 2.7668 3.3352 3.3352 3.3949 3.3949 7.1961 7.1961 7.4526 7.4526 9.4624 9.4624 9.5079 9.5079 k =-0.3731 0.5406 0.6917 ( 4450 PWs) bands (ev): -9.2986 -9.2986 -9.2983 -9.2983 -6.7924 -6.7924 -6.7890 -6.7890 -6.7339 -6.7339 -6.7279 -6.7279 -4.6454 -4.6454 -4.6357 -4.6357 -4.5730 -4.5730 -4.5561 -4.5561 -4.5424 -4.5424 -4.5406 -4.5406 -0.4051 -0.4051 -0.3992 -0.3992 1.9371 1.9371 1.9592 1.9592 2.7270 2.7270 2.7828 2.7828 3.3986 3.3986 3.4572 3.4572 7.1363 7.1363 7.3821 7.3821 9.4726 9.4726 9.4949 9.4949 k =-0.3798 0.5212 0.6917 ( 4446 PWs) bands (ev): -9.2990 -9.2990 -9.2986 -9.2986 -6.7927 -6.7927 -6.7894 -6.7894 -6.7365 -6.7365 -6.7309 -6.7309 -4.6457 -4.6457 -4.6368 -4.6368 -4.5731 -4.5731 -4.5589 -4.5589 -4.5449 -4.5449 -4.5447 -4.5447 -0.4470 -0.4470 -0.4414 -0.4414 1.9948 1.9948 2.0167 2.0167 2.7436 2.7436 2.7960 2.7960 3.4628 3.4628 3.5203 3.5203 7.0765 7.0765 7.3117 7.3117 9.4823 9.4823 9.4823 9.4823 k =-0.3865 0.5018 0.6917 ( 4454 PWs) bands (ev): -9.2994 -9.2994 -9.2990 -9.2990 -6.7929 -6.7929 -6.7897 -6.7897 -6.7390 -6.7390 -6.7339 -6.7339 -4.6461 -4.6461 -4.6378 -4.6378 -4.5733 -4.5733 -4.5620 -4.5620 -4.5486 -4.5486 -4.5470 -4.5470 -0.4869 -0.4869 -0.4816 -0.4816 2.0532 2.0532 2.0751 2.0751 2.7577 2.7577 2.8070 2.8070 3.5268 3.5268 3.5834 3.5834 7.0170 7.0170 7.2417 7.2417 9.4701 9.4701 9.4915 9.4915 k =-0.3932 0.4824 0.6917 ( 4454 PWs) bands (ev): -9.2998 -9.2998 -9.2994 -9.2994 -6.7932 -6.7932 -6.7900 -6.7900 -6.7415 -6.7415 -6.7367 -6.7367 -4.6465 -4.6465 -4.6388 -4.6388 -4.5736 -4.5736 -4.5651 -4.5651 -4.5524 -4.5524 -4.5490 -4.5490 -0.5247 -0.5247 -0.5197 -0.5197 2.1121 2.1121 2.1339 2.1339 2.7698 2.7698 2.8162 2.8162 3.5897 3.5897 3.6455 3.6455 6.9584 6.9584 7.1725 7.1725 9.4584 9.4584 9.4999 9.4999 k =-0.3998 0.4630 0.6917 ( 4450 PWs) bands (ev): -9.3002 -9.3002 -9.2997 -9.2997 -6.7934 -6.7934 -6.7904 -6.7904 -6.7440 -6.7440 -6.7396 -6.7396 -4.6469 -4.6469 -4.6398 -4.6398 -4.5740 -4.5740 -4.5684 -4.5684 -4.5559 -4.5559 -4.5507 -4.5507 -0.5604 -0.5604 -0.5557 -0.5557 2.1712 2.1712 2.1930 2.1930 2.7802 2.7802 2.8240 2.8240 3.6510 3.6510 3.7059 3.7059 6.9009 6.9009 7.1045 7.1045 9.4475 9.4475 9.5074 9.5074 k =-0.4065 0.4437 0.6917 ( 4454 PWs) bands (ev): -9.3006 -9.3006 -9.3001 -9.3001 -6.7937 -6.7937 -6.7908 -6.7908 -6.7464 -6.7464 -6.7423 -6.7423 -4.6473 -4.6473 -4.6408 -4.6408 -4.5747 -4.5747 -4.5716 -4.5716 -4.5591 -4.5591 -4.5523 -4.5523 -0.5939 -0.5939 -0.5895 -0.5895 2.2301 2.2301 2.2519 2.2519 2.7891 2.7891 2.8307 2.8307 3.7099 3.7099 3.7640 3.7640 6.8450 6.8450 7.0380 7.0380 9.4373 9.4373 9.5138 9.5138 k =-0.4132 0.4243 0.6917 ( 4450 PWs) bands (ev): -9.3009 -9.3009 -9.3005 -9.3005 -6.7939 -6.7939 -6.7911 -6.7911 -6.7486 -6.7486 -6.7449 -6.7449 -4.6477 -4.6477 -4.6418 -4.6418 -4.5756 -4.5756 -4.5747 -4.5747 -4.5618 -4.5618 -4.5537 -4.5537 -0.6251 -0.6251 -0.6211 -0.6211 2.2884 2.2884 2.3104 2.3104 2.7967 2.7967 2.8365 2.8365 3.7659 3.7659 3.8192 3.8192 6.7912 6.7912 6.9734 6.9734 9.4280 9.4280 9.5187 9.5187 k =-0.4199 0.4049 0.6917 ( 4444 PWs) bands (ev): -9.3013 -9.3013 -9.3008 -9.3008 -6.7941 -6.7941 -6.7915 -6.7915 -6.7508 -6.7508 -6.7474 -6.7474 -4.6481 -4.6481 -4.6427 -4.6427 -4.5777 -4.5777 -4.5770 -4.5770 -4.5639 -4.5639 -4.5551 -4.5551 -0.6542 -0.6542 -0.6504 -0.6504 2.3458 2.3458 2.3679 2.3679 2.8033 2.8033 2.8414 2.8414 3.8186 3.8186 3.8708 3.8708 6.7400 6.7400 6.9110 6.9110 9.4197 9.4197 9.5221 9.5221 k =-0.4265 0.3855 0.6917 ( 4448 PWs) bands (ev): -9.3016 -9.3016 -9.3012 -9.3012 -6.7944 -6.7944 -6.7919 -6.7919 -6.7529 -6.7529 -6.7497 -6.7497 -4.6485 -4.6485 -4.6437 -4.6437 -4.5805 -4.5805 -4.5787 -4.5787 -4.5654 -4.5654 -4.5563 -4.5563 -0.6809 -0.6809 -0.6775 -0.6775 2.4016 2.4016 2.4240 2.4240 2.8090 2.8090 2.8457 2.8457 3.8676 3.8676 3.9184 3.9184 6.6917 6.6917 6.8513 6.8513 9.4127 9.4127 9.5236 9.5236 k =-0.4332 0.3661 0.6917 ( 4440 PWs) bands (ev): -9.3019 -9.3019 -9.3015 -9.3015 -6.7946 -6.7946 -6.7922 -6.7922 -6.7548 -6.7548 -6.7519 -6.7519 -4.6489 -4.6489 -4.6446 -4.6446 -4.5832 -4.5832 -4.5807 -4.5807 -4.5664 -4.5664 -4.5575 -4.5575 -0.7054 -0.7054 -0.7023 -0.7023 2.4555 2.4555 2.4783 2.4783 2.8139 2.8139 2.8495 2.8495 3.9126 3.9126 3.9617 3.9617 6.6468 6.6468 6.7946 6.7946 9.4069 9.4069 9.5232 9.5232 k =-0.4399 0.3467 0.6917 ( 4456 PWs) bands (ev): -9.3022 -9.3022 -9.3018 -9.3018 -6.7948 -6.7948 -6.7926 -6.7926 -6.7565 -6.7565 -6.7540 -6.7540 -4.6493 -4.6493 -4.6455 -4.6455 -4.5856 -4.5856 -4.5828 -4.5828 -4.5670 -4.5670 -4.5586 -4.5586 -0.7276 -0.7276 -0.7248 -0.7248 2.5068 2.5068 2.5301 2.5301 2.8182 2.8182 2.8528 2.8528 3.9534 3.9534 4.0002 4.0002 6.6059 6.6059 6.7413 6.7413 9.4026 9.4026 9.5206 9.5206 k =-0.4466 0.3273 0.6917 ( 4456 PWs) bands (ev): -9.3025 -9.3025 -9.3021 -9.3021 -6.7949 -6.7949 -6.7929 -6.7929 -6.7581 -6.7581 -6.7558 -6.7558 -4.6496 -4.6496 -4.6463 -4.6463 -4.5877 -4.5877 -4.5849 -4.5849 -4.5674 -4.5674 -4.5597 -4.5597 -0.7474 -0.7474 -0.7449 -0.7449 2.5550 2.5550 2.5788 2.5788 2.8219 2.8219 2.8558 2.8558 3.9899 3.9899 4.0339 4.0339 6.5692 6.5692 6.6917 6.6917 9.3999 9.3999 9.5161 9.5161 k =-0.4533 0.3079 0.6917 ( 4456 PWs) bands (ev): -9.3027 -9.3027 -9.3024 -9.3024 -6.7951 -6.7951 -6.7933 -6.7933 -6.7595 -6.7595 -6.7575 -6.7575 -4.6499 -4.6499 -4.6471 -4.6471 -4.5896 -4.5896 -4.5869 -4.5869 -4.5675 -4.5675 -4.5606 -4.5606 -0.7650 -0.7650 -0.7628 -0.7628 2.5995 2.5995 2.6239 2.6239 2.8252 2.8252 2.8584 2.8584 4.0220 4.0220 4.0625 4.0625 6.5372 6.5372 6.6462 6.6462 9.3987 9.3987 9.5096 9.5096 k =-0.4599 0.2885 0.6917 ( 4460 PWs) bands (ev): -9.3029 -9.3029 -9.3026 -9.3026 -6.7952 -6.7952 -6.7936 -6.7936 -6.7606 -6.7606 -6.7589 -6.7589 -4.6502 -4.6502 -4.6478 -4.6478 -4.5912 -4.5912 -4.5888 -4.5888 -4.5675 -4.5675 -4.5616 -4.5616 -0.7801 -0.7801 -0.7783 -0.7783 2.6397 2.6397 2.6644 2.6644 2.8282 2.8282 2.8606 2.8606 4.0499 4.0499 4.0863 4.0863 6.5101 6.5101 6.6051 6.6051 9.3993 9.3993 9.5013 9.5013 k =-0.4666 0.2691 0.6917 ( 4460 PWs) bands (ev): -9.3031 -9.3031 -9.3028 -9.3028 -6.7953 -6.7953 -6.7940 -6.7940 -6.7616 -6.7616 -6.7602 -6.7602 -4.6504 -4.6504 -4.6484 -4.6484 -4.5925 -4.5925 -4.5904 -4.5904 -4.5674 -4.5674 -4.5624 -4.5624 -0.7930 -0.7930 -0.7914 -0.7914 2.6749 2.6749 2.6997 2.6997 2.8313 2.8313 2.8625 2.8625 4.0735 4.0735 4.1051 4.1051 6.4883 6.4883 6.5685 6.5685 9.4015 9.4015 9.4917 9.4917 k =-0.4733 0.2497 0.6917 ( 4464 PWs) bands (ev): -9.3032 -9.3032 -9.3030 -9.3030 -6.7953 -6.7953 -6.7943 -6.7943 -6.7624 -6.7624 -6.7613 -6.7613 -4.6506 -4.6506 -4.6490 -4.6490 -4.5936 -4.5936 -4.5918 -4.5918 -4.5672 -4.5672 -4.5632 -4.5632 -0.8034 -0.8034 -0.8022 -0.8022 2.7048 2.7048 2.7286 2.7286 2.8348 2.8348 2.8638 2.8638 4.0931 4.0931 4.1193 4.1193 6.4718 6.4718 6.5367 6.5367 9.4055 9.4055 9.4810 9.4810 k =-0.4800 0.2304 0.6917 ( 4464 PWs) bands (ev): -9.3033 -9.3033 -9.3032 -9.3032 -6.7953 -6.7953 -6.7945 -6.7945 -6.7630 -6.7630 -6.7622 -6.7622 -4.6507 -4.6507 -4.6495 -4.6495 -4.5943 -4.5943 -4.5930 -4.5930 -4.5670 -4.5670 -4.5639 -4.5639 -0.8116 -0.8116 -0.8106 -0.8106 2.7292 2.7292 2.7502 2.7502 2.8393 2.8393 2.8643 2.8643 4.1089 4.1089 4.1291 4.1291 6.4608 6.4608 6.5099 6.5099 9.4111 9.4111 9.4698 9.4698 k =-0.4866 0.2110 0.6917 ( 4472 PWs) bands (ev): -9.3034 -9.3034 -9.3033 -9.3033 -6.7953 -6.7953 -6.7948 -6.7948 -6.7634 -6.7634 -6.7628 -6.7628 -4.6507 -4.6507 -4.6499 -4.6499 -4.5948 -4.5948 -4.5939 -4.5939 -4.5666 -4.5666 -4.5646 -4.5646 -0.8173 -0.8173 -0.8167 -0.8167 2.7478 2.7478 2.7637 2.7637 2.8449 2.8449 2.8635 2.8635 4.1211 4.1211 4.1348 4.1348 6.4553 6.4553 6.4883 6.4883 9.4183 9.4183 9.4583 9.4583 k =-0.4933 0.1916 0.6917 ( 4468 PWs) bands (ev): -9.3034 -9.3034 -9.3034 -9.3034 -6.7952 -6.7952 -6.7950 -6.7950 -6.7636 -6.7636 -6.7633 -6.7633 -4.6507 -4.6507 -4.6503 -4.6503 -4.5950 -4.5950 -4.5946 -4.5946 -4.5662 -4.5662 -4.5652 -4.5652 -0.8207 -0.8207 -0.8204 -0.8204 2.7608 2.7608 2.7694 2.7694 2.8512 2.8512 2.8612 2.8612 4.1298 4.1298 4.1367 4.1367 6.4553 6.4553 6.4719 6.4719 9.4268 9.4268 9.4471 9.4471 k =-0.5000 0.1722 0.6917 ( 4464 PWs) bands (ev): -9.3034 -9.3034 -9.3034 -9.3034 -6.7951 -6.7951 -6.7951 -6.7951 -6.7636 -6.7636 -6.7636 -6.7636 -4.6505 -4.6505 -4.6505 -4.6505 -4.5949 -4.5949 -4.5949 -4.5949 -4.5657 -4.5657 -4.5657 -4.5657 -0.8217 -0.8217 -0.8217 -0.8217 2.7681 2.7681 2.7681 2.7681 2.8570 2.8570 2.8570 2.8570 4.1350 4.1350 4.1350 4.1350 6.4609 6.4609 6.4609 6.4609 9.4365 9.4365 9.4365 9.4365 k =-0.5000 0.1722 0.6917 ( 4464 PWs) bands (ev): -9.3034 -9.3034 -9.3034 -9.3034 -6.7951 -6.7951 -6.7951 -6.7951 -6.7636 -6.7636 -6.7636 -6.7636 -4.6505 -4.6505 -4.6505 -4.6505 -4.5949 -4.5949 -4.5949 -4.5949 -4.5657 -4.5657 -4.5657 -4.5657 -0.8217 -0.8217 -0.8217 -0.8217 2.7681 2.7681 2.7681 2.7681 2.8570 2.8570 2.8570 2.8570 4.1350 4.1350 4.1350 4.1350 6.4609 6.4609 6.4609 6.4609 9.4365 9.4365 9.4365 9.4365 k =-0.5000 0.1722 0.6714 ( 4464 PWs) bands (ev): -9.3037 -9.3037 -9.3035 -9.3035 -6.7955 -6.7955 -6.7946 -6.7946 -6.7637 -6.7637 -6.7634 -6.7634 -4.6511 -4.6511 -4.6499 -4.6499 -4.5954 -4.5954 -4.5943 -4.5943 -4.5672 -4.5672 -4.5642 -4.5642 -0.8347 -0.8347 -0.8064 -0.8064 2.7578 2.7578 2.7761 2.7761 2.8546 2.8546 2.8586 2.8586 4.0980 4.0980 4.1670 4.1670 6.4193 6.4193 6.5088 6.5088 9.4233 9.4233 9.4535 9.4535 k =-0.5000 0.1722 0.6510 ( 4478 PWs) bands (ev): -9.3042 -9.3042 -9.3039 -9.3039 -6.7959 -6.7959 -6.7940 -6.7940 -6.7638 -6.7638 -6.7633 -6.7633 -4.6515 -4.6515 -4.6491 -4.6491 -4.5959 -4.5959 -4.5936 -4.5936 -4.5687 -4.5687 -4.5627 -4.5627 -0.8452 -0.8452 -0.7887 -0.7887 2.7456 2.7456 2.7817 2.7817 2.8514 2.8514 2.8597 2.8597 4.0570 4.0570 4.1929 4.1929 6.3851 6.3851 6.5618 6.5618 9.4137 9.4137 9.4743 9.4743 k =-0.5000 0.1722 0.6307 ( 4484 PWs) bands (ev): -9.3051 -9.3051 -9.3046 -9.3046 -6.7961 -6.7961 -6.7934 -6.7934 -6.7640 -6.7640 -6.7631 -6.7631 -4.6519 -4.6519 -4.6483 -4.6483 -4.5962 -4.5962 -4.5928 -4.5928 -4.5701 -4.5701 -4.5611 -4.5611 -0.8535 -0.8535 -0.7685 -0.7685 2.7317 2.7317 2.7845 2.7845 2.8473 2.8473 2.8603 2.8603 4.0131 4.0131 4.2116 4.2116 6.3596 6.3596 6.6187 6.6187 9.4080 9.4080 9.4989 9.4989 k =-0.5000 0.1722 0.6103 ( 4480 PWs) bands (ev): -9.3062 -9.3062 -9.3057 -9.3057 -6.7963 -6.7963 -6.7927 -6.7927 -6.7641 -6.7641 -6.7629 -6.7629 -4.6522 -4.6522 -4.6474 -4.6474 -4.5964 -4.5964 -4.5920 -4.5920 -4.5715 -4.5715 -4.5595 -4.5595 -0.8594 -0.8594 -0.7459 -0.7459 2.7161 2.7161 2.7843 2.7843 2.8423 2.8423 2.8605 2.8605 3.9671 3.9671 4.2223 4.2223 6.3438 6.3438 6.6786 6.6786 9.4059 9.4059 9.5272 9.5272 k =-0.5000 0.1722 0.5900 ( 4484 PWs) bands (ev): -9.3077 -9.3077 -9.3070 -9.3070 -6.7963 -6.7963 -6.7919 -6.7919 -6.7642 -6.7642 -6.7628 -6.7628 -4.6524 -4.6524 -4.6465 -4.6465 -4.5965 -4.5965 -4.5910 -4.5910 -4.5728 -4.5728 -4.5578 -4.5578 -0.8631 -0.8631 -0.7210 -0.7210 2.6991 2.6991 2.7811 2.7811 2.8365 2.8365 2.8604 2.8604 3.9198 3.9198 4.2242 4.2242 6.3384 6.3384 6.7405 6.7405 9.4075 9.4075 9.5593 9.5593 k =-0.5000 0.1722 0.5696 ( 4476 PWs) bands (ev): -9.3094 -9.3094 -9.3086 -9.3086 -6.7963 -6.7963 -6.7910 -6.7910 -6.7643 -6.7643 -6.7626 -6.7626 -4.6524 -4.6524 -4.6455 -4.6455 -4.5966 -4.5966 -4.5901 -4.5901 -4.5741 -4.5741 -4.5561 -4.5561 -0.8646 -0.8646 -0.6936 -0.6936 2.6808 2.6808 2.7747 2.7747 2.8297 2.8297 2.8600 2.8600 3.8721 3.8721 4.2171 4.2171 6.3440 6.3440 6.8036 6.8036 9.4127 9.4127 9.5950 9.5950 k =-0.5000 0.1722 0.5493 ( 4482 PWs) bands (ev): -9.3114 -9.3114 -9.3105 -9.3105 -6.7962 -6.7962 -6.7902 -6.7902 -6.7644 -6.7644 -6.7624 -6.7624 -4.6524 -4.6524 -4.6445 -4.6445 -4.5965 -4.5965 -4.5891 -4.5891 -4.5753 -4.5753 -4.5544 -4.5544 -0.8640 -0.8640 -0.6638 -0.6638 2.6613 2.6613 2.7653 2.7653 2.8219 2.8219 2.8592 2.8592 3.8244 3.8244 4.2007 4.2007 6.3607 6.3607 6.8671 6.8671 9.4214 9.4214 9.6342 9.6342 k =-0.5000 0.1722 0.5289 ( 4480 PWs) bands (ev): -9.3137 -9.3137 -9.3126 -9.3126 -6.7960 -6.7960 -6.7892 -6.7892 -6.7645 -6.7645 -6.7622 -6.7622 -4.6523 -4.6523 -4.6434 -4.6434 -4.5964 -4.5964 -4.5881 -4.5881 -4.5764 -4.5764 -4.5527 -4.5527 -0.8613 -0.8613 -0.6317 -0.6317 2.6409 2.6409 2.7530 2.7530 2.8131 2.8131 2.8579 2.8579 3.7773 3.7773 4.1755 4.1755 6.3883 6.3883 6.9305 6.9305 9.4338 9.4338 9.6768 9.6768 k =-0.5000 0.1722 0.5086 ( 4480 PWs) bands (ev): -9.3162 -9.3162 -9.3149 -9.3149 -6.7958 -6.7958 -6.7882 -6.7882 -6.7646 -6.7646 -6.7620 -6.7620 -4.6521 -4.6521 -4.6423 -4.6423 -4.5962 -4.5962 -4.5872 -4.5872 -4.5773 -4.5773 -4.5509 -4.5509 -0.8567 -0.8567 -0.5974 -0.5974 2.6195 2.6195 2.7382 2.7382 2.8031 2.8031 2.8559 2.8559 3.7314 3.7314 4.1420 4.1420 6.4262 6.4262 6.9932 6.9932 9.4495 9.4495 9.7228 9.7228 k =-0.5000 0.1722 0.4883 ( 4480 PWs) bands (ev): -9.3188 -9.3188 -9.3175 -9.3175 -6.7954 -6.7954 -6.7872 -6.7872 -6.7646 -6.7646 -6.7619 -6.7619 -4.6517 -4.6517 -4.6411 -4.6411 -4.5959 -4.5959 -4.5866 -4.5866 -4.5779 -4.5779 -4.5492 -4.5492 -0.8501 -0.8501 -0.5607 -0.5607 2.5973 2.5973 2.7209 2.7209 2.7919 2.7919 2.8532 2.8532 3.6869 3.6869 4.1012 4.1012 6.4735 6.4735 7.0548 7.0548 9.4687 9.4687 9.7717 9.7717 k =-0.5000 0.1722 0.4679 ( 4478 PWs) bands (ev): -9.3217 -9.3217 -9.3203 -9.3203 -6.7950 -6.7950 -6.7862 -6.7862 -6.7647 -6.7647 -6.7617 -6.7617 -4.6513 -4.6513 -4.6400 -4.6400 -4.5957 -4.5957 -4.5864 -4.5864 -4.5780 -4.5780 -4.5474 -4.5474 -0.8418 -0.8418 -0.5219 -0.5219 2.5744 2.5744 2.7013 2.7013 2.7793 2.7793 2.8497 2.8497 3.6442 3.6442 4.0541 4.0541 6.5294 6.5294 7.1151 7.1151 9.4912 9.4912 9.8235 9.8235 k =-0.5000 0.1722 0.4476 ( 4482 PWs) bands (ev): -9.3247 -9.3247 -9.3232 -9.3232 -6.7945 -6.7945 -6.7852 -6.7852 -6.7648 -6.7648 -6.7615 -6.7615 -4.6508 -4.6508 -4.6388 -4.6388 -4.5954 -4.5954 -4.5867 -4.5867 -4.5775 -4.5775 -4.5456 -4.5456 -0.8318 -0.8318 -0.4810 -0.4810 2.5510 2.5510 2.6797 2.6797 2.7654 2.7654 2.8456 2.8456 3.6034 3.6034 4.0018 4.0018 6.5925 6.5925 7.1740 7.1740 9.5168 9.5168 9.8777 9.8777 k =-0.5000 0.1722 0.4272 ( 4486 PWs) bands (ev): -9.3279 -9.3279 -9.3263 -9.3263 -6.7939 -6.7939 -6.7841 -6.7841 -6.7649 -6.7649 -6.7614 -6.7614 -4.6502 -4.6502 -4.6376 -4.6376 -4.5951 -4.5951 -4.5874 -4.5874 -4.5765 -4.5765 -4.5439 -4.5439 -0.8203 -0.8203 -0.4381 -0.4381 2.5270 2.5270 2.6563 2.6563 2.7499 2.7499 2.8408 2.8408 3.5649 3.5649 3.9453 3.9453 6.6617 6.6617 7.2315 7.2315 9.5452 9.5452 9.9341 9.9341 k =-0.5000 0.1722 0.4069 ( 4488 PWs) bands (ev): -9.3311 -9.3311 -9.3294 -9.3294 -6.7932 -6.7932 -6.7831 -6.7831 -6.7650 -6.7650 -6.7612 -6.7612 -4.6496 -4.6496 -4.6363 -4.6363 -4.5948 -4.5948 -4.5883 -4.5883 -4.5752 -4.5752 -4.5421 -4.5421 -0.8074 -0.8074 -0.3933 -0.3933 2.5026 2.5026 2.6314 2.6314 2.7326 2.7326 2.8355 2.8355 3.5287 3.5287 3.8860 3.8860 6.7355 6.7355 7.2880 7.2880 9.5763 9.5763 9.9920 9.9920 k =-0.5000 0.1722 0.3865 ( 4484 PWs) bands (ev): -9.3344 -9.3344 -9.3327 -9.3327 -6.7926 -6.7926 -6.7820 -6.7820 -6.7651 -6.7651 -6.7611 -6.7611 -4.6488 -4.6488 -4.6351 -4.6351 -4.5946 -4.5946 -4.5894 -4.5894 -4.5736 -4.5736 -4.5404 -4.5404 -0.7932 -0.7932 -0.3468 -0.3468 2.4778 2.4778 2.6053 2.6053 2.7135 2.7135 2.8296 2.8296 3.4948 3.4948 3.8247 3.8247 6.8126 6.8126 7.3439 7.3439 9.6095 9.6095 10.0511 10.0511 k =-0.5000 0.1722 0.3662 ( 4484 PWs) bands (ev): -9.3378 -9.3378 -9.3360 -9.3360 -6.7918 -6.7918 -6.7810 -6.7810 -6.7652 -6.7652 -6.7609 -6.7609 -4.6480 -4.6480 -4.6338 -4.6338 -4.5946 -4.5946 -4.5904 -4.5904 -4.5719 -4.5719 -4.5387 -4.5387 -0.7779 -0.7779 -0.2985 -0.2985 2.4527 2.4527 2.5783 2.5783 2.6924 2.6924 2.8232 2.8232 3.4633 3.4633 3.7626 3.7626 6.8911 6.8911 7.4003 7.4003 9.6445 9.6445 10.1106 10.1106 k =-0.5000 0.1722 0.3458 ( 4480 PWs) bands (ev): -9.3412 -9.3412 -9.3393 -9.3393 -6.7910 -6.7910 -6.7800 -6.7800 -6.7653 -6.7653 -6.7608 -6.7608 -4.6471 -4.6471 -4.6326 -4.6326 -4.5950 -4.5950 -4.5912 -4.5912 -4.5701 -4.5701 -4.5371 -4.5371 -0.7616 -0.7616 -0.2489 -0.2489 2.4272 2.4272 2.5509 2.5509 2.6690 2.6690 2.8165 2.8165 3.4341 3.4341 3.7007 3.7007 6.9691 6.9691 7.4583 7.4583 9.6805 9.6805 10.1697 10.1697 k =-0.5000 0.1722 0.3255 ( 4474 PWs) bands (ev): -9.3445 -9.3445 -9.3426 -9.3426 -6.7902 -6.7902 -6.7790 -6.7790 -6.7655 -6.7655 -6.7607 -6.7607 -4.6461 -4.6461 -4.6313 -4.6313 -4.5958 -4.5958 -4.5916 -4.5916 -4.5683 -4.5683 -4.5355 -4.5355 -0.7446 -0.7446 -0.1979 -0.1979 2.4014 2.4014 2.5236 2.5236 2.6432 2.6432 2.8095 2.8095 3.4071 3.4071 3.6400 3.6400 7.0444 7.0444 7.5197 7.5197 9.7169 9.7169 10.2275 10.2275 k =-0.5000 0.1722 0.3052 ( 4474 PWs) bands (ev): -9.3479 -9.3479 -9.3459 -9.3459 -6.7893 -6.7893 -6.7780 -6.7780 -6.7656 -6.7656 -6.7606 -6.7606 -4.6450 -4.6450 -4.6301 -4.6301 -4.5969 -4.5969 -4.5917 -4.5917 -4.5664 -4.5664 -4.5340 -4.5340 -0.7270 -0.7270 -0.1459 -0.1459 2.3753 2.3753 2.4967 2.4967 2.6148 2.6148 2.8024 2.8024 3.3823 3.3823 3.5812 3.5812 7.1148 7.1148 7.5862 7.5862 9.7527 9.7527 10.2829 10.2829 k =-0.5000 0.1722 0.2848 ( 4472 PWs) bands (ev): -9.3511 -9.3511 -9.3491 -9.3491 -6.7884 -6.7884 -6.7771 -6.7771 -6.7658 -6.7658 -6.7606 -6.7606 -4.6439 -4.6439 -4.6289 -4.6289 -4.5983 -4.5983 -4.5917 -4.5917 -4.5645 -4.5645 -4.5325 -4.5325 -0.7090 -0.7090 -0.0931 -0.0931 2.3489 2.3489 2.4707 2.4707 2.5838 2.5838 2.7952 2.7952 3.3595 3.3595 3.5251 3.5251 7.1782 7.1782 7.6595 7.6595 9.7867 9.7867 10.3346 10.3346 k =-0.5000 0.1722 0.2645 ( 4464 PWs) bands (ev): -9.3543 -9.3543 -9.3523 -9.3523 -6.7875 -6.7875 -6.7762 -6.7762 -6.7659 -6.7659 -6.7605 -6.7605 -4.6427 -4.6427 -4.6276 -4.6276 -4.5999 -4.5999 -4.5917 -4.5917 -4.5627 -4.5627 -4.5312 -4.5312 -0.6908 -0.6908 -0.0398 -0.0398 2.3224 2.3224 2.4460 2.4460 2.5499 2.5499 2.7880 2.7880 3.3387 3.3387 3.4726 3.4726 7.2333 7.2333 7.7405 7.7405 9.8176 9.8176 10.3814 10.3814 k =-0.5000 0.1722 0.2441 ( 4456 PWs) bands (ev): -9.3573 -9.3573 -9.3553 -9.3553 -6.7866 -6.7866 -6.7754 -6.7754 -6.7661 -6.7661 -6.7605 -6.7605 -4.6415 -4.6415 -4.6264 -4.6264 -4.6015 -4.6015 -4.5916 -4.5916 -4.5608 -4.5608 -4.5299 -4.5299 -0.6727 -0.6727 0.0137 0.0137 2.2959 2.2959 2.4228 2.4228 2.5135 2.5135 2.7809 2.7809 3.3197 3.3197 3.4241 3.4241 7.2800 7.2800 7.8293 7.8293 9.8438 9.8438 10.4225 10.4225 k =-0.5000 0.1722 0.2238 ( 4448 PWs) bands (ev): -9.3602 -9.3602 -9.3582 -9.3582 -6.7857 -6.7857 -6.7747 -6.7747 -6.7663 -6.7663 -6.7604 -6.7604 -4.6402 -4.6402 -4.6252 -4.6252 -4.6031 -4.6031 -4.5916 -4.5916 -4.5590 -4.5590 -4.5287 -4.5287 -0.6548 -0.6548 0.0669 0.0669 2.2697 2.2697 2.4013 2.4013 2.4748 2.4748 2.7740 2.7740 3.3022 3.3022 3.3800 3.3800 7.3188 7.3188 7.9248 7.9248 9.8635 9.8635 10.4571 10.4571 k =-0.5000 0.1722 0.2034 ( 4450 PWs) bands (ev): -9.3630 -9.3630 -9.3609 -9.3609 -6.7847 -6.7847 -6.7740 -6.7740 -6.7664 -6.7664 -6.7604 -6.7604 -4.6388 -4.6388 -4.6241 -4.6241 -4.6048 -4.6048 -4.5916 -4.5916 -4.5573 -4.5573 -4.5276 -4.5276 -0.6374 -0.6374 0.1193 0.1193 2.2442 2.2442 2.3816 2.3816 2.4343 2.4343 2.7674 2.7674 3.2862 3.2862 3.3409 3.3409 7.3506 7.3506 8.0258 8.0258 9.8746 9.8746 10.4856 10.4856 k =-0.5000 0.1722 0.1831 ( 4450 PWs) bands (ev): -9.3655 -9.3655 -9.3634 -9.3634 -6.7838 -6.7838 -6.7734 -6.7734 -6.7666 -6.7666 -6.7604 -6.7604 -4.6374 -4.6374 -4.6230 -4.6230 -4.6065 -4.6065 -4.5916 -4.5916 -4.5557 -4.5557 -4.5266 -4.5266 -0.6208 -0.6208 0.1705 0.1705 2.2196 2.2196 2.3636 2.3636 2.3928 2.3928 2.7612 2.7612 3.2711 3.2711 3.3070 3.3070 7.3767 7.3767 8.1308 8.1308 9.8752 9.8752 10.5089 10.5089 k =-0.5000 0.1722 0.1628 ( 4438 PWs) bands (ev): -9.3678 -9.3678 -9.3658 -9.3658 -6.7829 -6.7829 -6.7730 -6.7730 -6.7667 -6.7667 -6.7604 -6.7604 -4.6359 -4.6359 -4.6220 -4.6220 -4.6083 -4.6083 -4.5917 -4.5917 -4.5543 -4.5543 -4.5257 -4.5257 -0.6051 -0.6051 0.2198 0.2198 2.1964 2.1964 2.3451 2.3451 2.3533 2.3533 2.7555 2.7555 3.2557 3.2557 3.2797 3.2797 7.3979 7.3979 8.2383 8.2383 9.8639 9.8639 10.5284 10.5284 k =-0.5000 0.1722 0.1424 ( 4446 PWs) bands (ev): -9.3699 -9.3699 -9.3679 -9.3679 -6.7821 -6.7821 -6.7726 -6.7726 -6.7668 -6.7668 -6.7605 -6.7605 -4.6344 -4.6344 -4.6210 -4.6210 -4.6100 -4.6100 -4.5918 -4.5918 -4.5529 -4.5529 -4.5249 -4.5249 -0.5907 -0.5907 0.2665 0.2665 2.1750 2.1750 2.3080 2.3080 2.3350 2.3350 2.7502 2.7502 3.2379 3.2379 3.2606 3.2606 7.4151 7.4151 8.3469 8.3469 9.8401 9.8401 10.5456 10.5456 k =-0.5000 0.1722 0.1221 ( 4442 PWs) bands (ev): -9.3718 -9.3718 -9.3697 -9.3697 -6.7812 -6.7812 -6.7724 -6.7724 -6.7668 -6.7668 -6.7605 -6.7605 -4.6329 -4.6329 -4.6202 -4.6202 -4.6117 -4.6117 -4.5919 -4.5919 -4.5517 -4.5517 -4.5243 -4.5243 -0.5776 -0.5776 0.3097 0.3097 2.1556 2.1556 2.2688 2.2688 2.3226 2.3226 2.7455 2.7455 3.2192 3.2192 3.2481 3.2481 7.4290 7.4290 8.4548 8.4548 9.8042 9.8042 10.5613 10.5613 k =-0.5000 0.1722 0.1017 ( 4430 PWs) bands (ev): -9.3734 -9.3734 -9.3713 -9.3713 -6.7805 -6.7805 -6.7723 -6.7723 -6.7668 -6.7668 -6.7605 -6.7605 -4.6313 -4.6313 -4.6195 -4.6195 -4.6135 -4.6135 -4.5920 -4.5920 -4.5506 -4.5506 -4.5237 -4.5237 -0.5662 -0.5662 0.3486 0.3486 2.1387 2.1387 2.2324 2.2324 2.3123 2.3123 2.7414 2.7414 3.2024 3.2024 3.2391 3.2391 7.4400 7.4400 8.5604 8.5604 9.7580 9.7580 10.5760 10.5760 k =-0.5000 0.1722 0.0814 ( 4426 PWs) bands (ev): -9.3747 -9.3747 -9.3726 -9.3726 -6.7798 -6.7798 -6.7723 -6.7723 -6.7668 -6.7668 -6.7606 -6.7606 -4.6297 -4.6297 -4.6189 -4.6189 -4.6151 -4.6151 -4.5921 -4.5921 -4.5497 -4.5497 -4.5232 -4.5232 -0.5565 -0.5565 0.3823 0.3823 2.1245 2.1245 2.2003 2.2003 2.3039 2.3039 2.7380 2.7380 3.1885 3.1885 3.2322 3.2322 7.4485 7.4485 8.6609 8.6609 9.7044 9.7044 10.5894 10.5894 k =-0.5000 0.1722 0.0610 ( 4430 PWs) bands (ev): -9.3757 -9.3757 -9.3737 -9.3737 -6.7792 -6.7792 -6.7723 -6.7723 -6.7667 -6.7667 -6.7606 -6.7606 -4.6281 -4.6281 -4.6188 -4.6188 -4.6164 -4.6164 -4.5922 -4.5922 -4.5490 -4.5490 -4.5229 -4.5229 -0.5489 -0.5489 0.4097 0.4097 2.1131 2.1131 2.1738 2.1738 2.2973 2.2973 2.7354 2.7354 3.1778 3.1778 3.2271 3.2271 7.4549 7.4549 8.7528 8.7528 9.6479 9.6479 10.6007 10.6007 k =-0.5000 0.1722 0.0407 ( 4436 PWs) bands (ev): -9.3765 -9.3765 -9.3744 -9.3744 -6.7787 -6.7787 -6.7724 -6.7724 -6.7667 -6.7667 -6.7607 -6.7607 -4.6265 -4.6265 -4.6196 -4.6196 -4.6170 -4.6170 -4.5923 -4.5923 -4.5485 -4.5485 -4.5226 -4.5226 -0.5433 -0.5433 0.4300 0.4300 2.1049 2.1049 2.1539 2.1539 2.2927 2.2927 2.7334 2.7334 3.1703 3.1703 3.2234 3.2234 7.4593 7.4593 8.8300 8.8300 9.5953 9.5953 10.6095 10.6095 k =-0.5000 0.1722 0.0203 ( 4438 PWs) bands (ev): -9.3769 -9.3769 -9.3749 -9.3749 -6.7784 -6.7784 -6.7725 -6.7725 -6.7667 -6.7667 -6.7607 -6.7607 -4.6249 -4.6249 -4.6209 -4.6209 -4.6170 -4.6170 -4.5924 -4.5924 -4.5482 -4.5482 -4.5224 -4.5224 -0.5399 -0.5399 0.4425 0.4425 2.0999 2.0999 2.1416 2.1416 2.2899 2.2899 2.7323 2.7323 3.1658 3.1658 3.2212 3.2212 7.4619 7.4619 8.8836 8.8836 9.5561 9.5561 10.6150 10.6150 k =-0.5000 0.1722-0.0000 ( 4434 PWs) bands (ev): -9.3771 -9.3771 -9.3750 -9.3750 -6.7783 -6.7783 -6.7725 -6.7725 -6.7666 -6.7666 -6.7607 -6.7607 -4.6240 -4.6240 -4.6218 -4.6218 -4.6170 -4.6170 -4.5924 -4.5924 -4.5481 -4.5481 -4.5224 -4.5224 -0.5388 -0.5388 0.4468 0.4468 2.0983 2.0983 2.1374 2.1374 2.2890 2.2890 2.7319 2.7319 3.1643 3.1643 3.2205 3.2205 7.4627 7.4627 8.9032 8.9032 9.5413 9.5413 10.6169 10.6169 k = 0.0000 0.0000 0.6917 ( 4456 PWs) bands (ev): -9.3165 -9.3165 -9.3165 -9.3165 -6.7871 -6.7871 -6.7871 -6.7871 -6.7635 -6.7635 -6.7635 -6.7635 -4.6413 -4.6413 -4.6413 -4.6413 -4.5975 -4.5975 -4.5975 -4.5975 -4.5541 -4.5541 -4.5541 -4.5541 -0.5641 -0.5641 -0.5641 -0.5641 2.1123 2.1123 2.1123 2.1123 2.8204 2.8204 2.8204 2.8204 4.0065 4.0065 4.0065 4.0065 7.4517 7.4517 7.4517 7.4517 9.2463 9.2463 9.2464 9.2464 k =-0.0192 0.0066 0.6917 ( 4462 PWs) bands (ev): -9.3165 -9.3165 -9.3165 -9.3165 -6.7871 -6.7871 -6.7871 -6.7871 -6.7635 -6.7635 -6.7635 -6.7635 -4.6413 -4.6413 -4.6413 -4.6413 -4.5975 -4.5975 -4.5975 -4.5975 -4.5541 -4.5541 -4.5541 -4.5541 -0.5652 -0.5652 -0.5652 -0.5652 2.1149 2.1149 2.1149 2.1149 2.8203 2.8203 2.8203 2.8203 4.0066 4.0066 4.0066 4.0066 7.4485 7.4485 7.4485 7.4485 9.2467 9.2467 9.2467 9.2467 k =-0.0385 0.0132 0.6917 ( 4452 PWs) bands (ev): -9.3163 -9.3163 -9.3163 -9.3163 -6.7872 -6.7872 -6.7872 -6.7872 -6.7635 -6.7635 -6.7635 -6.7635 -4.6414 -4.6414 -4.6414 -4.6414 -4.5975 -4.5975 -4.5975 -4.5975 -4.5542 -4.5542 -4.5542 -4.5542 -0.5685 -0.5685 -0.5685 -0.5685 2.1228 2.1228 2.1228 2.1228 2.8200 2.8200 2.8200 2.8200 4.0071 4.0071 4.0072 4.0072 7.4388 7.4388 7.4388 7.4388 9.2476 9.2476 9.2476 9.2476 k =-0.0577 0.0199 0.6917 ( 4468 PWs) bands (ev): -9.3161 -9.3161 -9.3161 -9.3161 -6.7874 -6.7874 -6.7874 -6.7874 -6.7636 -6.7636 -6.7635 -6.7635 -4.6416 -4.6416 -4.6416 -4.6416 -4.5975 -4.5975 -4.5975 -4.5975 -4.5544 -4.5544 -4.5544 -4.5544 -0.5740 -0.5740 -0.5740 -0.5740 2.1358 2.1358 2.1358 2.1358 2.8195 2.8195 2.8195 2.8195 4.0080 4.0080 4.0080 4.0080 7.4229 7.4229 7.4229 7.4229 9.2492 9.2492 9.2492 9.2492 k =-0.0769 0.0265 0.6917 ( 4464 PWs) bands (ev): -9.3158 -9.3158 -9.3158 -9.3158 -6.7876 -6.7876 -6.7876 -6.7876 -6.7636 -6.7636 -6.7636 -6.7636 -4.6418 -4.6418 -4.6418 -4.6418 -4.5974 -4.5974 -4.5974 -4.5974 -4.5547 -4.5547 -4.5547 -4.5547 -0.5814 -0.5814 -0.5814 -0.5814 2.1538 2.1538 2.1538 2.1538 2.8187 2.8187 2.8187 2.8187 4.0093 4.0093 4.0093 4.0093 7.4008 7.4008 7.4008 7.4008 9.2517 9.2517 9.2517 9.2517 k =-0.0962 0.0331 0.6917 ( 4472 PWs) bands (ev): -9.3154 -9.3154 -9.3154 -9.3154 -6.7878 -6.7878 -6.7878 -6.7878 -6.7636 -6.7636 -6.7636 -6.7636 -4.6420 -4.6420 -4.6420 -4.6420 -4.5974 -4.5974 -4.5974 -4.5974 -4.5551 -4.5551 -4.5551 -4.5551 -0.5907 -0.5907 -0.5907 -0.5907 2.1764 2.1764 2.1764 2.1764 2.8178 2.8178 2.8178 2.8178 4.0109 4.0109 4.0109 4.0109 7.3728 7.3728 7.3728 7.3728 9.2550 9.2550 9.2550 9.2550 k =-0.1154 0.0397 0.6917 ( 4476 PWs) bands (ev): -9.3149 -9.3149 -9.3149 -9.3149 -6.7881 -6.7881 -6.7881 -6.7881 -6.7636 -6.7636 -6.7636 -6.7636 -4.6424 -4.6424 -4.6424 -4.6424 -4.5973 -4.5973 -4.5973 -4.5973 -4.5555 -4.5555 -4.5555 -4.5555 -0.6017 -0.6017 -0.6016 -0.6016 2.2033 2.2033 2.2033 2.2033 2.8167 2.8167 2.8167 2.8167 4.0130 4.0130 4.0130 4.0130 7.3393 7.3393 7.3393 7.3393 9.2594 9.2594 9.2594 9.2594 k =-0.1346 0.0464 0.6917 ( 4480 PWs) bands (ev): -9.3143 -9.3143 -9.3143 -9.3143 -6.7884 -6.7884 -6.7884 -6.7884 -6.7636 -6.7636 -6.7636 -6.7636 -4.6427 -4.6427 -4.6427 -4.6427 -4.5972 -4.5972 -4.5972 -4.5972 -4.5560 -4.5560 -4.5560 -4.5560 -0.6140 -0.6140 -0.6140 -0.6140 2.2340 2.2340 2.2340 2.2340 2.8155 2.8155 2.8155 2.8155 4.0156 4.0156 4.0156 4.0156 7.3005 7.3005 7.3005 7.3005 9.2649 9.2649 9.2649 9.2649 k =-0.1538 0.0530 0.6917 ( 4472 PWs) bands (ev): -9.3137 -9.3137 -9.3137 -9.3137 -6.7888 -6.7888 -6.7888 -6.7888 -6.7636 -6.7636 -6.7636 -6.7636 -4.6431 -4.6431 -4.6431 -4.6431 -4.5971 -4.5971 -4.5971 -4.5971 -4.5566 -4.5566 -4.5566 -4.5566 -0.6275 -0.6275 -0.6275 -0.6275 2.2682 2.2682 2.2683 2.2683 2.8141 2.8141 2.8141 2.8141 4.0187 4.0187 4.0187 4.0187 7.2570 7.2570 7.2570 7.2570 9.2716 9.2716 9.2716 9.2716 k =-0.1731 0.0596 0.6917 ( 4476 PWs) bands (ev): -9.3130 -9.3130 -9.3130 -9.3130 -6.7892 -6.7892 -6.7892 -6.7892 -6.7636 -6.7636 -6.7636 -6.7636 -4.6436 -4.6436 -4.6436 -4.6436 -4.5970 -4.5970 -4.5970 -4.5970 -4.5572 -4.5572 -4.5572 -4.5572 -0.6419 -0.6419 -0.6419 -0.6419 2.3054 2.3054 2.3054 2.3054 2.8127 2.8127 2.8127 2.8127 4.0223 4.0223 4.0224 4.0224 7.2093 7.2093 7.2093 7.2093 9.2794 9.2794 9.2794 9.2794 k =-0.1923 0.0662 0.6917 ( 4480 PWs) bands (ev): -9.3123 -9.3123 -9.3123 -9.3123 -6.7896 -6.7896 -6.7896 -6.7896 -6.7636 -6.7636 -6.7636 -6.7636 -4.6440 -4.6440 -4.6440 -4.6440 -4.5969 -4.5969 -4.5969 -4.5969 -4.5578 -4.5578 -4.5578 -4.5578 -0.6570 -0.6570 -0.6569 -0.6569 2.3449 2.3449 2.3449 2.3449 2.8112 2.8112 2.8112 2.8112 4.0266 4.0266 4.0266 4.0266 7.1579 7.1579 7.1580 7.1580 9.2884 9.2884 9.2884 9.2884 k =-0.2115 0.0728 0.6917 ( 4480 PWs) bands (ev): -9.3116 -9.3116 -9.3116 -9.3116 -6.7901 -6.7901 -6.7901 -6.7901 -6.7636 -6.7636 -6.7636 -6.7636 -4.6446 -4.6446 -4.6446 -4.6446 -4.5968 -4.5968 -4.5968 -4.5968 -4.5585 -4.5585 -4.5585 -4.5585 -0.6724 -0.6724 -0.6724 -0.6724 2.3862 2.3862 2.3862 2.3862 2.8096 2.8096 2.8097 2.8097 4.0315 4.0315 4.0316 4.0316 7.1035 7.1035 7.1035 7.1035 9.2984 9.2984 9.2984 9.2984 k =-0.2308 0.0795 0.6917 ( 4482 PWs) bands (ev): -9.3108 -9.3108 -9.3108 -9.3108 -6.7905 -6.7905 -6.7905 -6.7905 -6.7636 -6.7636 -6.7636 -6.7636 -4.6451 -4.6451 -4.6451 -4.6451 -4.5966 -4.5966 -4.5966 -4.5966 -4.5592 -4.5592 -4.5592 -4.5592 -0.6880 -0.6880 -0.6880 -0.6880 2.4287 2.4287 2.4288 2.4288 2.8081 2.8081 2.8081 2.8081 4.0372 4.0372 4.0372 4.0372 7.0468 7.0468 7.0468 7.0468 9.3093 9.3093 9.3093 9.3093 k =-0.2500 0.0861 0.6917 ( 4486 PWs) bands (ev): -9.3100 -9.3100 -9.3100 -9.3100 -6.7910 -6.7910 -6.7910 -6.7910 -6.7636 -6.7636 -6.7636 -6.7636 -4.6456 -4.6456 -4.6456 -4.6456 -4.5965 -4.5965 -4.5965 -4.5965 -4.5599 -4.5599 -4.5599 -4.5599 -0.7035 -0.7035 -0.7035 -0.7035 2.4718 2.4718 2.4718 2.4718 2.8067 2.8067 2.8067 2.8067 4.0435 4.0435 4.0435 4.0435 6.9884 6.9884 6.9884 6.9884 9.3210 9.3210 9.3210 9.3210 k =-0.2692 0.0927 0.6917 ( 4490 PWs) bands (ev): -9.3092 -9.3092 -9.3092 -9.3092 -6.7915 -6.7915 -6.7915 -6.7915 -6.7636 -6.7636 -6.7636 -6.7636 -4.6462 -4.6462 -4.6462 -4.6462 -4.5963 -4.5963 -4.5963 -4.5963 -4.5606 -4.5606 -4.5606 -4.5606 -0.7187 -0.7187 -0.7187 -0.7187 2.5148 2.5148 2.5148 2.5148 2.8055 2.8055 2.8055 2.8055 4.0505 4.0505 4.0505 4.0505 6.9291 6.9291 6.9292 6.9292 9.3332 9.3332 9.3332 9.3332 k =-0.2885 0.0993 0.6917 ( 4482 PWs) bands (ev): -9.3084 -9.3084 -9.3084 -9.3084 -6.7920 -6.7920 -6.7920 -6.7920 -6.7636 -6.7636 -6.7636 -6.7636 -4.6468 -4.6468 -4.6468 -4.6468 -4.5962 -4.5962 -4.5962 -4.5962 -4.5613 -4.5613 -4.5613 -4.5613 -0.7334 -0.7334 -0.7334 -0.7334 2.5569 2.5569 2.5569 2.5569 2.8044 2.8044 2.8045 2.8045 4.0582 4.0582 4.0583 4.0583 6.8698 6.8698 6.8698 6.8698 9.3458 9.3458 9.3458 9.3458 k =-0.3077 0.1060 0.6917 ( 4482 PWs) bands (ev): -9.3077 -9.3077 -9.3077 -9.3077 -6.7925 -6.7925 -6.7925 -6.7925 -6.7636 -6.7636 -6.7636 -6.7636 -4.6473 -4.6473 -4.6473 -4.6473 -4.5960 -4.5960 -4.5960 -4.5960 -4.5619 -4.5619 -4.5619 -4.5619 -0.7475 -0.7475 -0.7475 -0.7475 2.5975 2.5975 2.5975 2.5975 2.8038 2.8038 2.8038 2.8038 4.0666 4.0666 4.0666 4.0666 6.8113 6.8113 6.8113 6.8113 9.3584 9.3584 9.3584 9.3584 k =-0.3269 0.1126 0.6917 ( 4482 PWs) bands (ev): -9.3069 -9.3069 -9.3069 -9.3069 -6.7929 -6.7929 -6.7929 -6.7929 -6.7636 -6.7636 -6.7636 -6.7636 -4.6478 -4.6478 -4.6478 -4.6478 -4.5958 -4.5958 -4.5958 -4.5958 -4.5626 -4.5626 -4.5626 -4.5626 -0.7606 -0.7606 -0.7606 -0.7606 2.6357 2.6357 2.6357 2.6357 2.8038 2.8038 2.8038 2.8038 4.0754 4.0754 4.0754 4.0754 6.7544 6.7544 6.7545 6.7545 9.3709 9.3709 9.3709 9.3709 k =-0.3462 0.1192 0.6917 ( 4486 PWs) bands (ev): -9.3063 -9.3063 -9.3063 -9.3063 -6.7933 -6.7933 -6.7933 -6.7933 -6.7636 -6.7636 -6.7636 -6.7636 -4.6483 -4.6483 -4.6483 -4.6483 -4.5957 -4.5957 -4.5957 -4.5957 -4.5632 -4.5632 -4.5632 -4.5632 -0.7728 -0.7728 -0.7728 -0.7728 2.6707 2.6707 2.6707 2.6707 2.8046 2.8046 2.8046 2.8046 4.0846 4.0846 4.0846 4.0846 6.7001 6.7001 6.7001 6.7001 9.3829 9.3829 9.3829 9.3829 k =-0.3654 0.1258 0.6917 ( 4466 PWs) bands (ev): -9.3056 -9.3056 -9.3056 -9.3056 -6.7937 -6.7937 -6.7937 -6.7937 -6.7636 -6.7636 -6.7636 -6.7636 -4.6488 -4.6488 -4.6488 -4.6488 -4.5955 -4.5955 -4.5955 -4.5955 -4.5637 -4.5637 -4.5637 -4.5637 -0.7838 -0.7838 -0.7838 -0.7838 2.7014 2.7014 2.7014 2.7014 2.8069 2.8069 2.8070 2.8070 4.0939 4.0939 4.0939 4.0939 6.6493 6.6493 6.6493 6.6493 9.3943 9.3943 9.3943 9.3943 k =-0.3846 0.1324 0.6917 ( 4476 PWs) bands (ev): -9.3051 -9.3051 -9.3051 -9.3051 -6.7941 -6.7941 -6.7941 -6.7941 -6.7636 -6.7636 -6.7636 -6.7636 -4.6492 -4.6492 -4.6492 -4.6492 -4.5954 -4.5954 -4.5954 -4.5954 -4.5643 -4.5643 -4.5643 -4.5643 -0.7936 -0.7936 -0.7936 -0.7936 2.7264 2.7264 2.7264 2.7264 2.8116 2.8116 2.8116 2.8116 4.1030 4.1030 4.1030 4.1030 6.6028 6.6028 6.6028 6.6028 9.4047 9.4047 9.4047 9.4047 k =-0.4038 0.1391 0.6917 ( 4486 PWs) bands (ev): -9.3046 -9.3046 -9.3046 -9.3046 -6.7944 -6.7944 -6.7944 -6.7944 -6.7636 -6.7636 -6.7636 -6.7636 -4.6496 -4.6496 -4.6496 -4.6496 -4.5952 -4.5952 -4.5952 -4.5952 -4.5647 -4.5647 -4.5647 -4.5647 -0.8020 -0.8020 -0.8020 -0.8020 2.7446 2.7446 2.7446 2.7446 2.8192 2.8192 2.8192 2.8192 4.1116 4.1116 4.1116 4.1116 6.5616 6.5616 6.5616 6.5616 9.4139 9.4139 9.4139 9.4139 k =-0.4231 0.1457 0.6917 ( 4482 PWs) bands (ev): -9.3042 -9.3042 -9.3042 -9.3042 -6.7946 -6.7946 -6.7946 -6.7946 -6.7636 -6.7636 -6.7636 -6.7636 -4.6499 -4.6499 -4.6499 -4.6499 -4.5951 -4.5951 -4.5951 -4.5951 -4.5651 -4.5651 -4.5651 -4.5651 -0.8090 -0.8090 -0.8090 -0.8090 2.7560 2.7560 2.7561 2.7561 2.8294 2.8294 2.8294 2.8294 4.1194 4.1194 4.1194 4.1194 6.5265 6.5265 6.5265 6.5265 9.4218 9.4218 9.4218 9.4218 k =-0.4423 0.1523 0.6917 ( 4478 PWs) bands (ev): -9.3039 -9.3039 -9.3039 -9.3039 -6.7948 -6.7948 -6.7948 -6.7948 -6.7636 -6.7636 -6.7636 -6.7636 -4.6502 -4.6502 -4.6502 -4.6502 -4.5951 -4.5951 -4.5950 -4.5950 -4.5654 -4.5654 -4.5654 -4.5654 -0.8146 -0.8146 -0.8145 -0.8145 2.7625 2.7625 2.7625 2.7625 2.8401 2.8401 2.8401 2.8401 4.1259 4.1259 4.1259 4.1259 6.4983 6.4983 6.4984 6.4984 9.4281 9.4281 9.4281 9.4281 k =-0.4615 0.1589 0.6917 ( 4474 PWs) bands (ev): -9.3036 -9.3036 -9.3036 -9.3036 -6.7950 -6.7950 -6.7950 -6.7950 -6.7636 -6.7636 -6.7636 -6.7636 -4.6504 -4.6504 -4.6504 -4.6504 -4.5950 -4.5950 -4.5950 -4.5950 -4.5656 -4.5656 -4.5656 -4.5656 -0.8185 -0.8185 -0.8185 -0.8185 2.7659 2.7659 2.7659 2.7659 2.8491 2.8491 2.8491 2.8491 4.1308 4.1308 4.1309 4.1309 6.4777 6.4777 6.4777 6.4777 9.4327 9.4327 9.4327 9.4327 k =-0.4808 0.1656 0.6917 ( 4466 PWs) bands (ev): -9.3035 -9.3035 -9.3035 -9.3035 -6.7951 -6.7951 -6.7951 -6.7951 -6.7636 -6.7636 -6.7636 -6.7636 -4.6505 -4.6505 -4.6505 -4.6505 -4.5949 -4.5949 -4.5949 -4.5949 -4.5657 -4.5657 -4.5657 -4.5657 -0.8209 -0.8209 -0.8209 -0.8209 2.7676 2.7676 2.7676 2.7676 2.8549 2.8549 2.8550 2.8550 4.1339 4.1339 4.1339 4.1339 6.4651 6.4651 6.4651 6.4651 9.4356 9.4356 9.4356 9.4356 k =-0.5000 0.1722 0.6917 ( 4464 PWs) bands (ev): -9.3034 -9.3034 -9.3034 -9.3034 -6.7951 -6.7951 -6.7951 -6.7951 -6.7636 -6.7636 -6.7636 -6.7636 -4.6505 -4.6505 -4.6505 -4.6505 -4.5949 -4.5949 -4.5949 -4.5949 -4.5657 -4.5657 -4.5657 -4.5657 -0.8217 -0.8217 -0.8217 -0.8217 2.7681 2.7681 2.7681 2.7681 2.8570 2.8570 2.8570 2.8570 4.1350 4.1350 4.1350 4.1350 6.4609 6.4609 6.4609 6.4609 9.4365 9.4365 9.4365 9.4365 Writing output data file TlCl.save init_run : 0.23s CPU 0.59s WALL ( 1 calls) electrons : 169.36s CPU 172.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 169.34s CPU 172.38s 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 : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.07s WALL ( 378 calls) cegterg : 152.27s CPU 153.81s WALL ( 413 calls) Called by sum_band: Called by *egterg: h_psi : 109.18s CPU 110.43s WALL ( 7201 calls) s_psi : 4.82s CPU 4.73s WALL ( 7201 calls) g_psi : 0.26s CPU 0.23s WALL ( 6410 calls) cdiaghg : 37.40s CPU 37.97s WALL ( 6788 calls) cegterg:over : 4.90s CPU 5.05s WALL ( 6410 calls) cegterg:upda : 4.05s CPU 4.17s WALL ( 6410 calls) cegterg:last : 2.57s CPU 2.59s WALL ( 1169 calls) cdiaghg:chol : 2.13s CPU 2.13s WALL ( 6788 calls) cdiaghg:inve : 1.31s CPU 1.31s WALL ( 6788 calls) cdiaghg:para : 2.18s CPU 2.20s WALL ( 13576 calls) Called by h_psi: h_psi:vloc : 98.78s CPU 99.99s WALL ( 7201 calls) h_psi:vnl : 10.21s CPU 10.25s WALL ( 7201 calls) add_vuspsi : 5.32s CPU 5.33s WALL ( 7201 calls) General routines calbec : 4.85s CPU 4.90s WALL ( 7201 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 93.19s CPU 94.30s WALL ( 706192 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.25s WALL ( 756 calls) Parallel routines fft_scatter : 23.29s CPU 23.83s WALL ( 706215 calls) PWSCF : 3m 7.09s CPU 3m35.32s WALL This run was terminated on: 17:12:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=