Program PWSCF v.5.1.1 starts on 14Jun2015 at 0:36:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 17 5 920 454 75 Max 29 18 6 923 467 80 Sum 1355 859 259 44237 22151 3671 bravais-lattice index = 14 lattice parameter (alat) = 8.5794 a.u. unit-cell volume = 463.7177 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.579356 celldm(2)= 0.731278 celldm(3)= 1.011013 celldm(4)= 0.116151 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.731278 0.000000 ) a(3) = ( 0.000000 0.117430 1.004170 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.367470 -0.159915 ) b(3) = ( 0.000000 0.000000 0.995847 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 F 7.00 18.99840 F( 1.00) Cu 11.00 63.54600 Cu( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4243537 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.5020851 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4243537 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5020851 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0000000 0.0142264), wk = 0.0028736 k( 3) = ( 0.0000000 0.0000000 0.0284528), wk = 0.0028736 k( 4) = ( 0.0000000 0.0000000 0.0426792), wk = 0.0028736 k( 5) = ( 0.0000000 0.0000000 0.0569055), wk = 0.0028736 k( 6) = ( 0.0000000 0.0000000 0.0711319), wk = 0.0028736 k( 7) = ( 0.0000000 0.0000000 0.0853583), wk = 0.0028736 k( 8) = ( 0.0000000 0.0000000 0.0995847), wk = 0.0028736 k( 9) = ( 0.0000000 0.0000000 0.1138111), wk = 0.0028736 k( 10) = ( 0.0000000 0.0000000 0.1280375), wk = 0.0028736 k( 11) = ( 0.0000000 0.0000000 0.1422639), wk = 0.0028736 k( 12) = ( 0.0000000 0.0000000 0.1564903), wk = 0.0028736 k( 13) = ( 0.0000000 0.0000000 0.1707166), wk = 0.0028736 k( 14) = ( 0.0000000 0.0000000 0.1849430), wk = 0.0028736 k( 15) = ( 0.0000000 0.0000000 0.1991694), wk = 0.0028736 k( 16) = ( 0.0000000 0.0000000 0.2133958), wk = 0.0028736 k( 17) = ( 0.0000000 0.0000000 0.2276222), wk = 0.0028736 k( 18) = ( 0.0000000 0.0000000 0.2418486), wk = 0.0028736 k( 19) = ( 0.0000000 0.0000000 0.2560750), wk = 0.0028736 k( 20) = ( 0.0000000 0.0000000 0.2703013), wk = 0.0028736 k( 21) = ( 0.0000000 0.0000000 0.2845277), wk = 0.0028736 k( 22) = ( 0.0000000 0.0000000 0.2987541), wk = 0.0028736 k( 23) = ( 0.0000000 0.0000000 0.3129805), wk = 0.0028736 k( 24) = ( 0.0000000 0.0000000 0.3272069), wk = 0.0028736 k( 25) = ( 0.0000000 0.0000000 0.3414333), wk = 0.0028736 k( 26) = ( 0.0000000 0.0000000 0.3556597), wk = 0.0028736 k( 27) = ( 0.0000000 0.0000000 0.3698860), wk = 0.0028736 k( 28) = ( 0.0000000 0.0000000 0.3841124), wk = 0.0028736 k( 29) = ( 0.0000000 0.0000000 0.3983388), wk = 0.0028736 k( 30) = ( 0.0000000 0.0000000 0.4125652), wk = 0.0028736 k( 31) = ( 0.0000000 0.0000000 0.4267916), wk = 0.0028736 k( 32) = ( 0.0000000 0.0000000 0.4410180), wk = 0.0028736 k( 33) = ( 0.0000000 0.0000000 0.4552444), wk = 0.0028736 k( 34) = ( 0.0000000 0.0000000 0.4694707), wk = 0.0028736 k( 35) = ( 0.0000000 0.0000000 0.4836971), wk = 0.0028736 k( 36) = ( 0.0000000 0.0000000 0.4979235), wk = 0.0028736 k( 37) = ( 0.0000000 0.0000000 0.4979235), wk = 0.0028736 k( 38) = ( 0.0000000 0.0144286 0.4979235), wk = 0.0028736 k( 39) = ( 0.0000000 0.0288571 0.4979235), wk = 0.0028736 k( 40) = ( 0.0000000 0.0432857 0.4979235), wk = 0.0028736 k( 41) = ( 0.0000000 0.0577143 0.4979235), wk = 0.0028736 k( 42) = ( 0.0000000 0.0721428 0.4979235), wk = 0.0028736 k( 43) = ( 0.0000000 0.0865714 0.4979235), wk = 0.0028736 k( 44) = ( 0.0000000 0.1010000 0.4979235), wk = 0.0028736 k( 45) = ( 0.0000000 0.1154286 0.4979235), wk = 0.0028736 k( 46) = ( 0.0000000 0.1298571 0.4979235), wk = 0.0028736 k( 47) = ( 0.0000000 0.1442857 0.4979235), wk = 0.0028736 k( 48) = ( 0.0000000 0.1587143 0.4979235), wk = 0.0028736 k( 49) = ( 0.0000000 0.1731428 0.4979235), wk = 0.0028736 k( 50) = ( 0.0000000 0.1875714 0.4979235), wk = 0.0028736 k( 51) = ( 0.0000000 0.2020000 0.4979235), wk = 0.0028736 k( 52) = ( 0.0000000 0.2164285 0.4979235), wk = 0.0028736 k( 53) = ( 0.0000000 0.2308571 0.4979235), wk = 0.0028736 k( 54) = ( 0.0000000 0.2452857 0.4979235), wk = 0.0028736 k( 55) = ( 0.0000000 0.2597143 0.4979235), wk = 0.0028736 k( 56) = ( 0.0000000 0.2741428 0.4979235), wk = 0.0028736 k( 57) = ( 0.0000000 0.2885714 0.4979235), wk = 0.0028736 k( 58) = ( 0.0000000 0.3030000 0.4979235), wk = 0.0028736 k( 59) = ( 0.0000000 0.3174285 0.4979235), wk = 0.0028736 k( 60) = ( 0.0000000 0.3318571 0.4979235), wk = 0.0028736 k( 61) = ( 0.0000000 0.3462857 0.4979235), wk = 0.0028736 k( 62) = ( 0.0000000 0.3607142 0.4979235), wk = 0.0028736 k( 63) = ( 0.0000000 0.3751428 0.4979235), wk = 0.0028736 k( 64) = ( 0.0000000 0.3895714 0.4979235), wk = 0.0028736 k( 65) = ( 0.0000000 0.4040000 0.4979235), wk = 0.0028736 k( 66) = ( 0.0000000 0.4184285 0.4979235), wk = 0.0028736 k( 67) = ( 0.0000000 0.4328571 0.4979235), wk = 0.0028736 k( 68) = ( 0.0000000 0.4472857 0.4979235), wk = 0.0028736 k( 69) = ( 0.0000000 0.4617142 0.4979235), wk = 0.0028736 k( 70) = ( 0.0000000 0.4761428 0.4979235), wk = 0.0028736 k( 71) = ( 0.0000000 0.4905714 0.4979235), wk = 0.0028736 k( 72) = ( 0.0000000 0.5049999 0.4979235), wk = 0.0028736 k( 73) = ( 0.0000000 0.5194285 0.4979235), wk = 0.0028736 k( 74) = ( 0.0000000 0.5338571 0.4979235), wk = 0.0028736 k( 75) = ( 0.0000000 0.5482857 0.4979235), wk = 0.0028736 k( 76) = ( 0.0000000 0.5627142 0.4979235), wk = 0.0028736 k( 77) = ( 0.0000000 0.5771428 0.4979235), wk = 0.0028736 k( 78) = ( 0.0000000 0.5915714 0.4979235), wk = 0.0028736 k( 79) = ( 0.0000000 0.6059999 0.4979235), wk = 0.0028736 k( 80) = ( 0.0000000 0.6204285 0.4979235), wk = 0.0028736 k( 81) = ( 0.0000000 0.6348571 0.4979235), wk = 0.0028736 k( 82) = ( 0.0000000 0.6348571 0.4979235), wk = 0.0028736 k( 83) = ( 0.0000000 0.6418396 0.4865010), wk = 0.0028736 k( 84) = ( 0.0000000 0.6488222 0.4750785), wk = 0.0028736 k( 85) = ( 0.0000000 0.6558047 0.4636560), wk = 0.0028736 k( 86) = ( 0.0000000 0.6627873 0.4522335), wk = 0.0028736 k( 87) = ( 0.0000000 0.6697698 0.4408110), wk = 0.0028736 k( 88) = ( 0.0000000 0.6767524 0.4293885), wk = 0.0028736 k( 89) = ( 0.0000000 0.6837349 0.4179660), wk = 0.0028736 k( 90) = ( 0.0000000 0.6837349 0.4179660), wk = 0.0028736 k( 91) = ( 0.0142857 0.6837349 0.4179660), wk = 0.0028736 k( 92) = ( 0.0285714 0.6837349 0.4179660), wk = 0.0028736 k( 93) = ( 0.0428571 0.6837349 0.4179660), wk = 0.0028736 k( 94) = ( 0.0571429 0.6837349 0.4179660), wk = 0.0028736 k( 95) = ( 0.0714286 0.6837349 0.4179660), wk = 0.0028736 k( 96) = ( 0.0857143 0.6837349 0.4179660), wk = 0.0028736 k( 97) = ( 0.1000000 0.6837349 0.4179660), wk = 0.0028736 k( 98) = ( 0.1142857 0.6837349 0.4179660), wk = 0.0028736 k( 99) = ( 0.1285714 0.6837349 0.4179660), wk = 0.0028736 k( 100) = ( 0.1428571 0.6837349 0.4179660), wk = 0.0028736 k( 101) = ( 0.1571429 0.6837349 0.4179660), wk = 0.0028736 k( 102) = ( 0.1714286 0.6837349 0.4179660), wk = 0.0028736 k( 103) = ( 0.1857143 0.6837349 0.4179660), wk = 0.0028736 k( 104) = ( 0.2000000 0.6837349 0.4179660), wk = 0.0028736 k( 105) = ( 0.2142857 0.6837349 0.4179660), wk = 0.0028736 k( 106) = ( 0.2285714 0.6837349 0.4179660), wk = 0.0028736 k( 107) = ( 0.2428571 0.6837349 0.4179660), wk = 0.0028736 k( 108) = ( 0.2571429 0.6837349 0.4179660), wk = 0.0028736 k( 109) = ( 0.2714286 0.6837349 0.4179660), wk = 0.0028736 k( 110) = ( 0.2857143 0.6837349 0.4179660), wk = 0.0028736 k( 111) = ( 0.3000000 0.6837349 0.4179660), wk = 0.0028736 k( 112) = ( 0.3142857 0.6837349 0.4179660), wk = 0.0028736 k( 113) = ( 0.3285714 0.6837349 0.4179660), wk = 0.0028736 k( 114) = ( 0.3428571 0.6837349 0.4179660), wk = 0.0028736 k( 115) = ( 0.3571429 0.6837349 0.4179660), wk = 0.0028736 k( 116) = ( 0.3714286 0.6837349 0.4179660), wk = 0.0028736 k( 117) = ( 0.3857143 0.6837349 0.4179660), wk = 0.0028736 k( 118) = ( 0.4000000 0.6837349 0.4179660), wk = 0.0028736 k( 119) = ( 0.4142857 0.6837349 0.4179660), wk = 0.0028736 k( 120) = ( 0.4285714 0.6837349 0.4179660), wk = 0.0028736 k( 121) = ( 0.4428571 0.6837349 0.4179660), wk = 0.0028736 k( 122) = ( 0.4571429 0.6837349 0.4179660), wk = 0.0028736 k( 123) = ( 0.4714286 0.6837349 0.4179660), wk = 0.0028736 k( 124) = ( 0.4857143 0.6837349 0.4179660), wk = 0.0028736 k( 125) = ( 0.5000000 0.6837349 0.4179660), wk = 0.0028736 k( 126) = ( 0.5000000 0.6837349 0.4179660), wk = 0.0028736 k( 127) = ( 0.5000000 0.6907175 0.4065436), wk = 0.0028736 k( 128) = ( 0.5000000 0.6977000 0.3951211), wk = 0.0028736 k( 129) = ( 0.5000000 0.7046826 0.3836986), wk = 0.0028736 k( 130) = ( 0.5000000 0.7116652 0.3722761), wk = 0.0028736 k( 131) = ( 0.5000000 0.7186477 0.3608536), wk = 0.0028736 k( 132) = ( 0.5000000 0.7256303 0.3494311), wk = 0.0028736 k( 133) = ( 0.5000000 0.7326128 0.3380086), wk = 0.0028736 k( 134) = ( 0.5000000 0.7326128 0.3380086), wk = 0.0028736 k( 135) = ( 0.5000000 0.7309836 0.3240764), wk = 0.0028736 k( 136) = ( 0.5000000 0.7293543 0.3101442), wk = 0.0028736 k( 137) = ( 0.5000000 0.7277250 0.2962120), wk = 0.0028736 k( 138) = ( 0.5000000 0.7260958 0.2822798), wk = 0.0028736 k( 139) = ( 0.5000000 0.7244665 0.2683476), wk = 0.0028736 k( 140) = ( 0.5000000 0.7228372 0.2544154), wk = 0.0028736 k( 141) = ( 0.5000000 0.7212080 0.2404832), wk = 0.0028736 k( 142) = ( 0.5000000 0.7195787 0.2265510), wk = 0.0028736 k( 143) = ( 0.5000000 0.7179494 0.2126188), wk = 0.0028736 k( 144) = ( 0.5000000 0.7163202 0.1986866), wk = 0.0028736 k( 145) = ( 0.5000000 0.7146909 0.1847544), wk = 0.0028736 k( 146) = ( 0.5000000 0.7130617 0.1708222), wk = 0.0028736 k( 147) = ( 0.5000000 0.7114324 0.1568900), wk = 0.0028736 k( 148) = ( 0.5000000 0.7098031 0.1429578), wk = 0.0028736 k( 149) = ( 0.5000000 0.7081739 0.1290255), wk = 0.0028736 k( 150) = ( 0.5000000 0.7065446 0.1150934), wk = 0.0028736 k( 151) = ( 0.5000000 0.7049154 0.1011611), wk = 0.0028736 k( 152) = ( 0.5000000 0.7032861 0.0872289), wk = 0.0028736 k( 153) = ( 0.5000000 0.7016568 0.0732967), wk = 0.0028736 k( 154) = ( 0.5000000 0.7000276 0.0593645), wk = 0.0028736 k( 155) = ( 0.5000000 0.6983983 0.0454323), wk = 0.0028736 k( 156) = ( 0.5000000 0.6967690 0.0315001), wk = 0.0028736 k( 157) = ( 0.5000000 0.6951398 0.0175679), wk = 0.0028736 k( 158) = ( 0.5000000 0.6935105 0.0036357), wk = 0.0028736 k( 159) = ( 0.5000000 0.6918813 -0.0102965), wk = 0.0028736 k( 160) = ( 0.5000000 0.6902520 -0.0242287), wk = 0.0028736 k( 161) = ( 0.5000000 0.6886227 -0.0381609), wk = 0.0028736 k( 162) = ( 0.5000000 0.6869935 -0.0520931), wk = 0.0028736 k( 163) = ( 0.5000000 0.6853642 -0.0660253), wk = 0.0028736 k( 164) = ( 0.5000000 0.6837349 -0.0799575), wk = 0.0028736 k( 165) = ( 0.5000000 0.6837349 -0.0799575), wk = 0.0028736 k( 166) = ( 0.4857143 0.6837349 -0.0799575), wk = 0.0028736 k( 167) = ( 0.4714286 0.6837349 -0.0799575), wk = 0.0028736 k( 168) = ( 0.4571429 0.6837349 -0.0799575), wk = 0.0028736 k( 169) = ( 0.4428571 0.6837349 -0.0799575), wk = 0.0028736 k( 170) = ( 0.4285714 0.6837349 -0.0799575), wk = 0.0028736 k( 171) = ( 0.4142857 0.6837349 -0.0799575), wk = 0.0028736 k( 172) = ( 0.4000000 0.6837349 -0.0799575), wk = 0.0028736 k( 173) = ( 0.3857143 0.6837349 -0.0799575), wk = 0.0028736 k( 174) = ( 0.3714286 0.6837349 -0.0799575), wk = 0.0028736 k( 175) = ( 0.3571429 0.6837349 -0.0799575), wk = 0.0028736 k( 176) = ( 0.3428571 0.6837349 -0.0799575), wk = 0.0028736 k( 177) = ( 0.3285714 0.6837349 -0.0799575), wk = 0.0028736 k( 178) = ( 0.3142857 0.6837349 -0.0799575), wk = 0.0028736 k( 179) = ( 0.3000000 0.6837349 -0.0799575), wk = 0.0028736 k( 180) = ( 0.2857143 0.6837349 -0.0799575), wk = 0.0028736 k( 181) = ( 0.2714286 0.6837349 -0.0799575), wk = 0.0028736 k( 182) = ( 0.2571429 0.6837349 -0.0799575), wk = 0.0028736 k( 183) = ( 0.2428571 0.6837349 -0.0799575), wk = 0.0028736 k( 184) = ( 0.2285714 0.6837349 -0.0799575), wk = 0.0028736 k( 185) = ( 0.2142857 0.6837349 -0.0799575), wk = 0.0028736 k( 186) = ( 0.2000000 0.6837349 -0.0799575), wk = 0.0028736 k( 187) = ( 0.1857143 0.6837349 -0.0799575), wk = 0.0028736 k( 188) = ( 0.1714286 0.6837349 -0.0799575), wk = 0.0028736 k( 189) = ( 0.1571429 0.6837349 -0.0799575), wk = 0.0028736 k( 190) = ( 0.1428571 0.6837349 -0.0799575), wk = 0.0028736 k( 191) = ( 0.1285714 0.6837349 -0.0799575), wk = 0.0028736 k( 192) = ( 0.1142857 0.6837349 -0.0799575), wk = 0.0028736 k( 193) = ( 0.1000000 0.6837349 -0.0799575), wk = 0.0028736 k( 194) = ( 0.0857143 0.6837349 -0.0799575), wk = 0.0028736 k( 195) = ( 0.0714286 0.6837349 -0.0799575), wk = 0.0028736 k( 196) = ( 0.0571429 0.6837349 -0.0799575), wk = 0.0028736 k( 197) = ( 0.0428571 0.6837349 -0.0799575), wk = 0.0028736 k( 198) = ( 0.0285714 0.6837349 -0.0799575), wk = 0.0028736 k( 199) = ( 0.0142857 0.6837349 -0.0799575), wk = 0.0028736 k( 200) = ( 0.0000000 0.6837349 -0.0799575), wk = 0.0028736 k( 201) = ( 0.0000000 0.6837349 -0.0799575), wk = 0.0028736 k( 202) = ( 0.0000000 0.6853642 -0.0660253), wk = 0.0028736 k( 203) = ( 0.0000000 0.6869935 -0.0520931), wk = 0.0028736 k( 204) = ( 0.0000000 0.6886227 -0.0381609), wk = 0.0028736 k( 205) = ( 0.0000000 0.6902520 -0.0242287), wk = 0.0028736 k( 206) = ( 0.0000000 0.6918813 -0.0102965), wk = 0.0028736 k( 207) = ( 0.0000000 0.6935105 0.0036357), wk = 0.0028736 k( 208) = ( 0.0000000 0.6951398 0.0175679), wk = 0.0028736 k( 209) = ( 0.0000000 0.6967690 0.0315001), wk = 0.0028736 k( 210) = ( 0.0000000 0.6983983 0.0454323), wk = 0.0028736 k( 211) = ( 0.0000000 0.7000276 0.0593645), wk = 0.0028736 k( 212) = ( 0.0000000 0.7016568 0.0732967), wk = 0.0028736 k( 213) = ( 0.0000000 0.7032861 0.0872289), wk = 0.0028736 k( 214) = ( 0.0000000 0.7049154 0.1011611), wk = 0.0028736 k( 215) = ( 0.0000000 0.7065446 0.1150934), wk = 0.0028736 k( 216) = ( 0.0000000 0.7081739 0.1290255), wk = 0.0028736 k( 217) = ( 0.0000000 0.7098031 0.1429578), wk = 0.0028736 k( 218) = ( 0.0000000 0.7114324 0.1568900), wk = 0.0028736 k( 219) = ( 0.0000000 0.7130617 0.1708222), wk = 0.0028736 k( 220) = ( 0.0000000 0.7146909 0.1847544), wk = 0.0028736 k( 221) = ( 0.0000000 0.7163202 0.1986866), wk = 0.0028736 k( 222) = ( 0.0000000 0.7179494 0.2126188), wk = 0.0028736 k( 223) = ( 0.0000000 0.7195787 0.2265510), wk = 0.0028736 k( 224) = ( 0.0000000 0.7212080 0.2404832), wk = 0.0028736 k( 225) = ( 0.0000000 0.7228372 0.2544154), wk = 0.0028736 k( 226) = ( 0.0000000 0.7244665 0.2683476), wk = 0.0028736 k( 227) = ( 0.0000000 0.7260958 0.2822798), wk = 0.0028736 k( 228) = ( 0.0000000 0.7277250 0.2962120), wk = 0.0028736 k( 229) = ( 0.0000000 0.7293543 0.3101442), wk = 0.0028736 k( 230) = ( 0.0000000 0.7309836 0.3240764), wk = 0.0028736 k( 231) = ( 0.0000000 0.7326128 0.3380086), wk = 0.0028736 k( 232) = ( 0.5000000 0.6348571 0.4979235), wk = 0.0028736 k( 233) = ( 0.5000000 0.6204285 0.4979235), wk = 0.0028736 k( 234) = ( 0.5000000 0.6059999 0.4979235), wk = 0.0028736 k( 235) = ( 0.5000000 0.5915714 0.4979235), wk = 0.0028736 k( 236) = ( 0.5000000 0.5771428 0.4979235), wk = 0.0028736 k( 237) = ( 0.5000000 0.5627142 0.4979235), wk = 0.0028736 k( 238) = ( 0.5000000 0.5482857 0.4979235), wk = 0.0028736 k( 239) = ( 0.5000000 0.5338571 0.4979235), wk = 0.0028736 k( 240) = ( 0.5000000 0.5194285 0.4979235), wk = 0.0028736 k( 241) = ( 0.5000000 0.5049999 0.4979235), wk = 0.0028736 k( 242) = ( 0.5000000 0.4905714 0.4979235), wk = 0.0028736 k( 243) = ( 0.5000000 0.4761428 0.4979235), wk = 0.0028736 k( 244) = ( 0.5000000 0.4617142 0.4979235), wk = 0.0028736 k( 245) = ( 0.5000000 0.4472857 0.4979235), wk = 0.0028736 k( 246) = ( 0.5000000 0.4328571 0.4979235), wk = 0.0028736 k( 247) = ( 0.5000000 0.4184285 0.4979235), wk = 0.0028736 k( 248) = ( 0.5000000 0.4040000 0.4979235), wk = 0.0028736 k( 249) = ( 0.5000000 0.3895714 0.4979235), wk = 0.0028736 k( 250) = ( 0.5000000 0.3751428 0.4979235), wk = 0.0028736 k( 251) = ( 0.5000000 0.3607142 0.4979235), wk = 0.0028736 k( 252) = ( 0.5000000 0.3462857 0.4979235), wk = 0.0028736 k( 253) = ( 0.5000000 0.3318571 0.4979235), wk = 0.0028736 k( 254) = ( 0.5000000 0.3174285 0.4979235), wk = 0.0028736 k( 255) = ( 0.5000000 0.3030000 0.4979235), wk = 0.0028736 k( 256) = ( 0.5000000 0.2885714 0.4979235), wk = 0.0028736 k( 257) = ( 0.5000000 0.2741428 0.4979235), wk = 0.0028736 k( 258) = ( 0.5000000 0.2597143 0.4979235), wk = 0.0028736 k( 259) = ( 0.5000000 0.2452857 0.4979235), wk = 0.0028736 k( 260) = ( 0.5000000 0.2308571 0.4979235), wk = 0.0028736 k( 261) = ( 0.5000000 0.2164285 0.4979235), wk = 0.0028736 k( 262) = ( 0.5000000 0.2020000 0.4979235), wk = 0.0028736 k( 263) = ( 0.5000000 0.1875714 0.4979235), wk = 0.0028736 k( 264) = ( 0.5000000 0.1731428 0.4979235), wk = 0.0028736 k( 265) = ( 0.5000000 0.1587143 0.4979235), wk = 0.0028736 k( 266) = ( 0.5000000 0.1442857 0.4979235), wk = 0.0028736 k( 267) = ( 0.5000000 0.1298571 0.4979235), wk = 0.0028736 k( 268) = ( 0.5000000 0.1154286 0.4979235), wk = 0.0028736 k( 269) = ( 0.5000000 0.1010000 0.4979235), wk = 0.0028736 k( 270) = ( 0.5000000 0.0865714 0.4979235), wk = 0.0028736 k( 271) = ( 0.5000000 0.0721428 0.4979235), wk = 0.0028736 k( 272) = ( 0.5000000 0.0577143 0.4979235), wk = 0.0028736 k( 273) = ( 0.5000000 0.0432857 0.4979235), wk = 0.0028736 k( 274) = ( 0.5000000 0.0288571 0.4979235), wk = 0.0028736 k( 275) = ( 0.5000000 0.0144286 0.4979235), wk = 0.0028736 k( 276) = ( 0.5000000 -0.0000000 0.4979235), wk = 0.0028736 k( 277) = ( 0.5000000 -0.0000000 0.4979235), wk = 0.0028736 k( 278) = ( 0.5000000 -0.0000000 0.4836971), wk = 0.0028736 k( 279) = ( 0.5000000 -0.0000000 0.4694707), wk = 0.0028736 k( 280) = ( 0.5000000 -0.0000000 0.4552444), wk = 0.0028736 k( 281) = ( 0.5000000 -0.0000000 0.4410180), wk = 0.0028736 k( 282) = ( 0.5000000 -0.0000000 0.4267916), wk = 0.0028736 k( 283) = ( 0.5000000 -0.0000000 0.4125652), wk = 0.0028736 k( 284) = ( 0.5000000 -0.0000000 0.3983388), wk = 0.0028736 k( 285) = ( 0.5000000 -0.0000000 0.3841124), wk = 0.0028736 k( 286) = ( 0.5000000 -0.0000000 0.3698860), wk = 0.0028736 k( 287) = ( 0.5000000 -0.0000000 0.3556597), wk = 0.0028736 k( 288) = ( 0.5000000 -0.0000000 0.3414333), wk = 0.0028736 k( 289) = ( 0.5000000 -0.0000000 0.3272069), wk = 0.0028736 k( 290) = ( 0.5000000 -0.0000000 0.3129805), wk = 0.0028736 k( 291) = ( 0.5000000 -0.0000000 0.2987541), wk = 0.0028736 k( 292) = ( 0.5000000 -0.0000000 0.2845277), wk = 0.0028736 k( 293) = ( 0.5000000 -0.0000000 0.2703013), wk = 0.0028736 k( 294) = ( 0.5000000 -0.0000000 0.2560750), wk = 0.0028736 k( 295) = ( 0.5000000 -0.0000000 0.2418486), wk = 0.0028736 k( 296) = ( 0.5000000 -0.0000000 0.2276222), wk = 0.0028736 k( 297) = ( 0.5000000 -0.0000000 0.2133958), wk = 0.0028736 k( 298) = ( 0.5000000 -0.0000000 0.1991694), wk = 0.0028736 k( 299) = ( 0.5000000 -0.0000000 0.1849430), wk = 0.0028736 k( 300) = ( 0.5000000 -0.0000000 0.1707166), wk = 0.0028736 k( 301) = ( 0.5000000 -0.0000000 0.1564903), wk = 0.0028736 k( 302) = ( 0.5000000 -0.0000000 0.1422639), wk = 0.0028736 k( 303) = ( 0.5000000 -0.0000000 0.1280375), wk = 0.0028736 k( 304) = ( 0.5000000 -0.0000000 0.1138111), wk = 0.0028736 k( 305) = ( 0.5000000 -0.0000000 0.0995847), wk = 0.0028736 k( 306) = ( 0.5000000 -0.0000000 0.0853583), wk = 0.0028736 k( 307) = ( 0.5000000 -0.0000000 0.0711319), wk = 0.0028736 k( 308) = ( 0.5000000 -0.0000000 0.0569055), wk = 0.0028736 k( 309) = ( 0.5000000 -0.0000000 0.0426792), wk = 0.0028736 k( 310) = ( 0.5000000 -0.0000000 0.0284528), wk = 0.0028736 k( 311) = ( 0.5000000 -0.0000000 0.0142264), wk = 0.0028736 k( 312) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 313) = ( 0.0000000 0.0000000 0.4979235), wk = 0.0028736 k( 314) = ( 0.0142857 -0.0000000 0.4979235), wk = 0.0028736 k( 315) = ( 0.0285714 -0.0000000 0.4979235), wk = 0.0028736 k( 316) = ( 0.0428571 -0.0000000 0.4979235), wk = 0.0028736 k( 317) = ( 0.0571429 -0.0000000 0.4979235), wk = 0.0028736 k( 318) = ( 0.0714286 -0.0000000 0.4979235), wk = 0.0028736 k( 319) = ( 0.0857143 -0.0000000 0.4979235), wk = 0.0028736 k( 320) = ( 0.1000000 -0.0000000 0.4979235), wk = 0.0028736 k( 321) = ( 0.1142857 -0.0000000 0.4979235), wk = 0.0028736 k( 322) = ( 0.1285714 -0.0000000 0.4979235), wk = 0.0028736 k( 323) = ( 0.1428571 -0.0000000 0.4979235), wk = 0.0028736 k( 324) = ( 0.1571429 -0.0000000 0.4979235), wk = 0.0028736 k( 325) = ( 0.1714286 -0.0000000 0.4979235), wk = 0.0028736 k( 326) = ( 0.1857143 -0.0000000 0.4979235), wk = 0.0028736 k( 327) = ( 0.2000000 -0.0000000 0.4979235), wk = 0.0028736 k( 328) = ( 0.2142857 -0.0000000 0.4979235), wk = 0.0028736 k( 329) = ( 0.2285714 -0.0000000 0.4979235), wk = 0.0028736 k( 330) = ( 0.2428571 -0.0000000 0.4979235), wk = 0.0028736 k( 331) = ( 0.2571429 -0.0000000 0.4979235), wk = 0.0028736 k( 332) = ( 0.2714286 -0.0000000 0.4979235), wk = 0.0028736 k( 333) = ( 0.2857143 -0.0000000 0.4979235), wk = 0.0028736 k( 334) = ( 0.3000000 -0.0000000 0.4979235), wk = 0.0028736 k( 335) = ( 0.3142857 -0.0000000 0.4979235), wk = 0.0028736 k( 336) = ( 0.3285714 -0.0000000 0.4979235), wk = 0.0028736 k( 337) = ( 0.3428571 -0.0000000 0.4979235), wk = 0.0028736 k( 338) = ( 0.3571429 -0.0000000 0.4979235), wk = 0.0028736 k( 339) = ( 0.3714286 -0.0000000 0.4979235), wk = 0.0028736 k( 340) = ( 0.3857143 -0.0000000 0.4979235), wk = 0.0028736 k( 341) = ( 0.4000000 -0.0000000 0.4979235), wk = 0.0028736 k( 342) = ( 0.4142857 -0.0000000 0.4979235), wk = 0.0028736 k( 343) = ( 0.4285714 -0.0000000 0.4979235), wk = 0.0028736 k( 344) = ( 0.4428571 -0.0000000 0.4979235), wk = 0.0028736 k( 345) = ( 0.4571429 -0.0000000 0.4979235), wk = 0.0028736 k( 346) = ( 0.4714286 -0.0000000 0.4979235), wk = 0.0028736 k( 347) = ( 0.4857143 -0.0000000 0.4979235), wk = 0.0028736 k( 348) = ( 0.5000000 -0.0000000 0.4979235), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0028736 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0028736 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0028736 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0028736 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0028736 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0028736 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028736 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0028736 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0028736 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0028736 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0028736 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0028736 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0028736 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028736 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0028736 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0028736 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0028736 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0028736 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0028736 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0028736 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028736 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0028736 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0028736 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0028736 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0028736 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0028736 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0028736 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028736 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0028736 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0028736 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0028736 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0028736 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0028736 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0028736 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 38) = ( 0.0000000 0.0105513 0.5016943), wk = 0.0028736 k( 39) = ( 0.0000000 0.0211026 0.5033887), wk = 0.0028736 k( 40) = ( 0.0000000 0.0316539 0.5050830), wk = 0.0028736 k( 41) = ( 0.0000000 0.0422052 0.5067774), wk = 0.0028736 k( 42) = ( 0.0000000 0.0527564 0.5084717), wk = 0.0028736 k( 43) = ( 0.0000000 0.0633077 0.5101661), wk = 0.0028736 k( 44) = ( 0.0000000 0.0738590 0.5118604), wk = 0.0028736 k( 45) = ( 0.0000000 0.0844103 0.5135548), wk = 0.0028736 k( 46) = ( 0.0000000 0.0949616 0.5152491), wk = 0.0028736 k( 47) = ( 0.0000000 0.1055129 0.5169434), wk = 0.0028736 k( 48) = ( 0.0000000 0.1160642 0.5186378), wk = 0.0028736 k( 49) = ( 0.0000000 0.1266155 0.5203321), wk = 0.0028736 k( 50) = ( 0.0000000 0.1371668 0.5220265), wk = 0.0028736 k( 51) = ( 0.0000000 0.1477180 0.5237208), wk = 0.0028736 k( 52) = ( 0.0000000 0.1582693 0.5254152), wk = 0.0028736 k( 53) = ( 0.0000000 0.1688206 0.5271095), wk = 0.0028736 k( 54) = ( 0.0000000 0.1793719 0.5288039), wk = 0.0028736 k( 55) = ( 0.0000000 0.1899232 0.5304982), wk = 0.0028736 k( 56) = ( 0.0000000 0.2004745 0.5321926), wk = 0.0028736 k( 57) = ( 0.0000000 0.2110258 0.5338869), wk = 0.0028736 k( 58) = ( 0.0000000 0.2215771 0.5355812), wk = 0.0028736 k( 59) = ( 0.0000000 0.2321283 0.5372756), wk = 0.0028736 k( 60) = ( 0.0000000 0.2426796 0.5389699), wk = 0.0028736 k( 61) = ( 0.0000000 0.2532309 0.5406643), wk = 0.0028736 k( 62) = ( 0.0000000 0.2637822 0.5423586), wk = 0.0028736 k( 63) = ( 0.0000000 0.2743335 0.5440530), wk = 0.0028736 k( 64) = ( 0.0000000 0.2848848 0.5457473), wk = 0.0028736 k( 65) = ( 0.0000000 0.2954361 0.5474417), wk = 0.0028736 k( 66) = ( 0.0000000 0.3059874 0.5491360), wk = 0.0028736 k( 67) = ( 0.0000000 0.3165387 0.5508304), wk = 0.0028736 k( 68) = ( 0.0000000 0.3270900 0.5525247), wk = 0.0028736 k( 69) = ( 0.0000000 0.3376412 0.5542191), wk = 0.0028736 k( 70) = ( 0.0000000 0.3481925 0.5559134), wk = 0.0028736 k( 71) = ( 0.0000000 0.3587438 0.5576077), wk = 0.0028736 k( 72) = ( 0.0000000 0.3692951 0.5593021), wk = 0.0028736 k( 73) = ( 0.0000000 0.3798464 0.5609964), wk = 0.0028736 k( 74) = ( 0.0000000 0.3903977 0.5626908), wk = 0.0028736 k( 75) = ( 0.0000000 0.4009490 0.5643851), wk = 0.0028736 k( 76) = ( 0.0000000 0.4115003 0.5660795), wk = 0.0028736 k( 77) = ( 0.0000000 0.4220515 0.5677738), wk = 0.0028736 k( 78) = ( 0.0000000 0.4326028 0.5694682), wk = 0.0028736 k( 79) = ( 0.0000000 0.4431541 0.5711625), wk = 0.0028736 k( 80) = ( 0.0000000 0.4537054 0.5728568), wk = 0.0028736 k( 81) = ( 0.0000000 0.4642567 0.5745512), wk = 0.0028736 k( 82) = ( 0.0000000 0.4642567 0.5745512), wk = 0.0028736 k( 83) = ( 0.0000000 0.4693629 0.5639010), wk = 0.0028736 k( 84) = ( 0.0000000 0.4744691 0.5532508), wk = 0.0028736 k( 85) = ( 0.0000000 0.4795753 0.5426007), wk = 0.0028736 k( 86) = ( 0.0000000 0.4846814 0.5319505), wk = 0.0028736 k( 87) = ( 0.0000000 0.4897876 0.5213003), wk = 0.0028736 k( 88) = ( 0.0000000 0.4948938 0.5106502), wk = 0.0028736 k( 89) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 91) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0028736 k( 92) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0028736 k( 93) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0028736 k( 94) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0028736 k( 95) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0028736 k( 96) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0028736 k( 97) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028736 k( 98) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0028736 k( 99) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0028736 k( 100) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0028736 k( 101) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0028736 k( 102) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0028736 k( 103) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0028736 k( 104) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028736 k( 105) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0028736 k( 106) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0028736 k( 107) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0028736 k( 108) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0028736 k( 109) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0028736 k( 110) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0028736 k( 111) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028736 k( 112) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0028736 k( 113) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0028736 k( 114) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0028736 k( 115) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0028736 k( 116) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0028736 k( 117) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0028736 k( 118) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028736 k( 119) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0028736 k( 120) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0028736 k( 121) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0028736 k( 122) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0028736 k( 123) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0028736 k( 124) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0028736 k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 127) = ( 0.5000000 0.5051062 0.4893498), wk = 0.0028736 k( 128) = ( 0.5000000 0.5102124 0.4786997), wk = 0.0028736 k( 129) = ( 0.5000000 0.5153186 0.4680495), wk = 0.0028736 k( 130) = ( 0.5000000 0.5204247 0.4573993), wk = 0.0028736 k( 131) = ( 0.5000000 0.5255309 0.4467491), wk = 0.0028736 k( 132) = ( 0.5000000 0.5306371 0.4360990), wk = 0.0028736 k( 133) = ( 0.5000000 0.5357433 0.4254488), wk = 0.0028736 k( 134) = ( 0.5000000 0.5357433 0.4254488), wk = 0.0028736 k( 135) = ( 0.5000000 0.5345519 0.4112672), wk = 0.0028736 k( 136) = ( 0.5000000 0.5333604 0.3970856), wk = 0.0028736 k( 137) = ( 0.5000000 0.5321690 0.3829039), wk = 0.0028736 k( 138) = ( 0.5000000 0.5309775 0.3687223), wk = 0.0028736 k( 139) = ( 0.5000000 0.5297861 0.3545407), wk = 0.0028736 k( 140) = ( 0.5000000 0.5285946 0.3403590), wk = 0.0028736 k( 141) = ( 0.5000000 0.5274032 0.3261774), wk = 0.0028736 k( 142) = ( 0.5000000 0.5262117 0.3119958), wk = 0.0028736 k( 143) = ( 0.5000000 0.5250203 0.2978142), wk = 0.0028736 k( 144) = ( 0.5000000 0.5238289 0.2836325), wk = 0.0028736 k( 145) = ( 0.5000000 0.5226374 0.2694509), wk = 0.0028736 k( 146) = ( 0.5000000 0.5214460 0.2552693), wk = 0.0028736 k( 147) = ( 0.5000000 0.5202545 0.2410877), wk = 0.0028736 k( 148) = ( 0.5000000 0.5190631 0.2269060), wk = 0.0028736 k( 149) = ( 0.5000000 0.5178717 0.2127244), wk = 0.0028736 k( 150) = ( 0.5000000 0.5166802 0.1985428), wk = 0.0028736 k( 151) = ( 0.5000000 0.5154888 0.1843612), wk = 0.0028736 k( 152) = ( 0.5000000 0.5142973 0.1701795), wk = 0.0028736 k( 153) = ( 0.5000000 0.5131059 0.1559979), wk = 0.0028736 k( 154) = ( 0.5000000 0.5119144 0.1418163), wk = 0.0028736 k( 155) = ( 0.5000000 0.5107230 0.1276346), wk = 0.0028736 k( 156) = ( 0.5000000 0.5095315 0.1134530), wk = 0.0028736 k( 157) = ( 0.5000000 0.5083401 0.0992714), wk = 0.0028736 k( 158) = ( 0.5000000 0.5071487 0.0850898), wk = 0.0028736 k( 159) = ( 0.5000000 0.5059572 0.0709081), wk = 0.0028736 k( 160) = ( 0.5000000 0.5047658 0.0567265), wk = 0.0028736 k( 161) = ( 0.5000000 0.5035743 0.0425449), wk = 0.0028736 k( 162) = ( 0.5000000 0.5023829 0.0283633), wk = 0.0028736 k( 163) = ( 0.5000000 0.5011914 0.0141816), wk = 0.0028736 k( 164) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 165) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 166) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0028736 k( 167) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0028736 k( 168) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0028736 k( 169) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0028736 k( 170) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0028736 k( 171) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0028736 k( 172) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0028736 k( 173) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0028736 k( 174) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0028736 k( 175) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0028736 k( 176) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0028736 k( 177) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0028736 k( 178) = ( 0.3142857 0.5000000 0.0000000), wk = 0.0028736 k( 179) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0028736 k( 180) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0028736 k( 181) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0028736 k( 182) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0028736 k( 183) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0028736 k( 184) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0028736 k( 185) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0028736 k( 186) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028736 k( 187) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0028736 k( 188) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0028736 k( 189) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0028736 k( 190) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0028736 k( 191) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0028736 k( 192) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0028736 k( 193) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0028736 k( 194) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0028736 k( 195) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0028736 k( 196) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0028736 k( 197) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0028736 k( 198) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0028736 k( 199) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0028736 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 201) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 202) = ( 0.0000000 0.5011914 0.0141816), wk = 0.0028736 k( 203) = ( 0.0000000 0.5023829 0.0283632), wk = 0.0028736 k( 204) = ( 0.0000000 0.5035743 0.0425449), wk = 0.0028736 k( 205) = ( 0.0000000 0.5047658 0.0567265), wk = 0.0028736 k( 206) = ( 0.0000000 0.5059572 0.0709081), wk = 0.0028736 k( 207) = ( 0.0000000 0.5071487 0.0850898), wk = 0.0028736 k( 208) = ( 0.0000000 0.5083401 0.0992714), wk = 0.0028736 k( 209) = ( 0.0000000 0.5095315 0.1134530), wk = 0.0028736 k( 210) = ( 0.0000000 0.5107230 0.1276346), wk = 0.0028736 k( 211) = ( 0.0000000 0.5119144 0.1418163), wk = 0.0028736 k( 212) = ( 0.0000000 0.5131059 0.1559979), wk = 0.0028736 k( 213) = ( 0.0000000 0.5142973 0.1701795), wk = 0.0028736 k( 214) = ( 0.0000000 0.5154888 0.1843611), wk = 0.0028736 k( 215) = ( 0.0000000 0.5166802 0.1985428), wk = 0.0028736 k( 216) = ( 0.0000000 0.5178717 0.2127244), wk = 0.0028736 k( 217) = ( 0.0000000 0.5190631 0.2269060), wk = 0.0028736 k( 218) = ( 0.0000000 0.5202545 0.2410877), wk = 0.0028736 k( 219) = ( 0.0000000 0.5214460 0.2552693), wk = 0.0028736 k( 220) = ( 0.0000000 0.5226374 0.2694509), wk = 0.0028736 k( 221) = ( 0.0000000 0.5238289 0.2836325), wk = 0.0028736 k( 222) = ( 0.0000000 0.5250203 0.2978142), wk = 0.0028736 k( 223) = ( 0.0000000 0.5262117 0.3119958), wk = 0.0028736 k( 224) = ( 0.0000000 0.5274032 0.3261774), wk = 0.0028736 k( 225) = ( 0.0000000 0.5285946 0.3403590), wk = 0.0028736 k( 226) = ( 0.0000000 0.5297861 0.3545407), wk = 0.0028736 k( 227) = ( 0.0000000 0.5309775 0.3687223), wk = 0.0028736 k( 228) = ( 0.0000000 0.5321690 0.3829039), wk = 0.0028736 k( 229) = ( 0.0000000 0.5333604 0.3970856), wk = 0.0028736 k( 230) = ( 0.0000000 0.5345519 0.4112672), wk = 0.0028736 k( 231) = ( 0.0000000 0.5357433 0.4254488), wk = 0.0028736 k( 232) = ( 0.5000000 0.4642567 0.5745512), wk = 0.0028736 k( 233) = ( 0.5000000 0.4537054 0.5728568), wk = 0.0028736 k( 234) = ( 0.5000000 0.4431541 0.5711625), wk = 0.0028736 k( 235) = ( 0.5000000 0.4326028 0.5694682), wk = 0.0028736 k( 236) = ( 0.5000000 0.4220515 0.5677738), wk = 0.0028736 k( 237) = ( 0.5000000 0.4115003 0.5660795), wk = 0.0028736 k( 238) = ( 0.5000000 0.4009490 0.5643851), wk = 0.0028736 k( 239) = ( 0.5000000 0.3903977 0.5626908), wk = 0.0028736 k( 240) = ( 0.5000000 0.3798464 0.5609964), wk = 0.0028736 k( 241) = ( 0.5000000 0.3692951 0.5593021), wk = 0.0028736 k( 242) = ( 0.5000000 0.3587438 0.5576077), wk = 0.0028736 k( 243) = ( 0.5000000 0.3481925 0.5559134), wk = 0.0028736 k( 244) = ( 0.5000000 0.3376412 0.5542191), wk = 0.0028736 k( 245) = ( 0.5000000 0.3270900 0.5525247), wk = 0.0028736 k( 246) = ( 0.5000000 0.3165387 0.5508304), wk = 0.0028736 k( 247) = ( 0.5000000 0.3059874 0.5491360), wk = 0.0028736 k( 248) = ( 0.5000000 0.2954361 0.5474417), wk = 0.0028736 k( 249) = ( 0.5000000 0.2848848 0.5457473), wk = 0.0028736 k( 250) = ( 0.5000000 0.2743335 0.5440530), wk = 0.0028736 k( 251) = ( 0.5000000 0.2637822 0.5423586), wk = 0.0028736 k( 252) = ( 0.5000000 0.2532309 0.5406643), wk = 0.0028736 k( 253) = ( 0.5000000 0.2426796 0.5389699), wk = 0.0028736 k( 254) = ( 0.5000000 0.2321283 0.5372756), wk = 0.0028736 k( 255) = ( 0.5000000 0.2215771 0.5355812), wk = 0.0028736 k( 256) = ( 0.5000000 0.2110258 0.5338869), wk = 0.0028736 k( 257) = ( 0.5000000 0.2004745 0.5321926), wk = 0.0028736 k( 258) = ( 0.5000000 0.1899232 0.5304982), wk = 0.0028736 k( 259) = ( 0.5000000 0.1793719 0.5288039), wk = 0.0028736 k( 260) = ( 0.5000000 0.1688206 0.5271095), wk = 0.0028736 k( 261) = ( 0.5000000 0.1582693 0.5254152), wk = 0.0028736 k( 262) = ( 0.5000000 0.1477180 0.5237208), wk = 0.0028736 k( 263) = ( 0.5000000 0.1371668 0.5220265), wk = 0.0028736 k( 264) = ( 0.5000000 0.1266155 0.5203321), wk = 0.0028736 k( 265) = ( 0.5000000 0.1160642 0.5186378), wk = 0.0028736 k( 266) = ( 0.5000000 0.1055129 0.5169434), wk = 0.0028736 k( 267) = ( 0.5000000 0.0949616 0.5152491), wk = 0.0028736 k( 268) = ( 0.5000000 0.0844103 0.5135548), wk = 0.0028736 k( 269) = ( 0.5000000 0.0738590 0.5118604), wk = 0.0028736 k( 270) = ( 0.5000000 0.0633077 0.5101661), wk = 0.0028736 k( 271) = ( 0.5000000 0.0527564 0.5084717), wk = 0.0028736 k( 272) = ( 0.5000000 0.0422052 0.5067774), wk = 0.0028736 k( 273) = ( 0.5000000 0.0316539 0.5050830), wk = 0.0028736 k( 274) = ( 0.5000000 0.0211026 0.5033887), wk = 0.0028736 k( 275) = ( 0.5000000 0.0105513 0.5016943), wk = 0.0028736 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 277) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 278) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0028736 k( 279) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0028736 k( 280) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0028736 k( 281) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0028736 k( 282) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0028736 k( 283) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0028736 k( 284) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0028736 k( 285) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0028736 k( 286) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0028736 k( 287) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0028736 k( 288) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0028736 k( 289) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0028736 k( 290) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0028736 k( 291) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0028736 k( 292) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0028736 k( 293) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0028736 k( 294) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0028736 k( 295) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0028736 k( 296) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0028736 k( 297) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0028736 k( 298) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0028736 k( 299) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0028736 k( 300) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0028736 k( 301) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0028736 k( 302) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0028736 k( 303) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0028736 k( 304) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 313) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 314) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0028736 k( 315) = ( 0.0285714 0.0000000 0.5000000), wk = 0.0028736 k( 316) = ( 0.0428571 0.0000000 0.5000000), wk = 0.0028736 k( 317) = ( 0.0571429 0.0000000 0.5000000), wk = 0.0028736 k( 318) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0028736 k( 319) = ( 0.0857143 0.0000000 0.5000000), wk = 0.0028736 k( 320) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0028736 k( 321) = ( 0.1142857 0.0000000 0.5000000), wk = 0.0028736 k( 322) = ( 0.1285714 0.0000000 0.5000000), wk = 0.0028736 k( 323) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0028736 k( 324) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0028736 k( 325) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0028736 k( 326) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0028736 k( 327) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0028736 k( 328) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0028736 k( 329) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0028736 k( 330) = ( 0.2428571 0.0000000 0.5000000), wk = 0.0028736 k( 331) = ( 0.2571429 0.0000000 0.5000000), wk = 0.0028736 k( 332) = ( 0.2714286 0.0000000 0.5000000), wk = 0.0028736 k( 333) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028736 k( 334) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0028736 k( 335) = ( 0.3142857 0.0000000 0.5000000), wk = 0.0028736 k( 336) = ( 0.3285714 0.0000000 0.5000000), wk = 0.0028736 k( 337) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0028736 k( 338) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0028736 k( 339) = ( 0.3714286 0.0000000 0.5000000), wk = 0.0028736 k( 340) = ( 0.3857143 0.0000000 0.5000000), wk = 0.0028736 k( 341) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0028736 k( 342) = ( 0.4142857 0.0000000 0.5000000), wk = 0.0028736 k( 343) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028736 k( 344) = ( 0.4428571 0.0000000 0.5000000), wk = 0.0028736 k( 345) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0028736 k( 346) = ( 0.4714286 0.0000000 0.5000000), wk = 0.0028736 k( 347) = ( 0.4857143 0.0000000 0.5000000), wk = 0.0028736 k( 348) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 Dense grid: 44237 G-vectors FFT dimensions: ( 50, 36, 50) Smooth grid: 22151 G-vectors FFT dimensions: ( 40, 30, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 130, 60) NL pseudopotentials 0.12 Mb ( 65, 124) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 923) G-vector shells 0.01 Mb ( 879) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 130, 240) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 0.23 Mb ( 124, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CuF2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.5 secs Computing kpt #: 2 total cpu time spent up to now is 46.6 secs Computing kpt #: 3 total cpu time spent up to now is 49.1 secs Computing kpt #: 4 total cpu time spent up to now is 50.9 secs Computing kpt #: 5 total cpu time spent up to now is 52.2 secs Computing kpt #: 6 total cpu time spent up to now is 53.6 secs Computing kpt #: 7 total cpu time spent up to now is 55.5 secs Computing kpt #: 8 total cpu time spent up to now is 56.6 secs Computing kpt #: 9 total cpu time spent up to now is 57.8 secs Computing kpt #: 10 total cpu time spent up to now is 59.0 secs Computing kpt #: 11 total cpu time spent up to now is 60.5 secs Computing kpt #: 12 total cpu time spent up to now is 63.9 secs Computing kpt #: 13 total cpu time spent up to now is 65.1 secs Computing kpt #: 14 total cpu time spent up to now is 66.2 secs Computing kpt #: 15 total cpu time spent up to now is 68.1 secs Computing kpt #: 16 total cpu time spent up to now is 69.9 secs Computing kpt #: 17 total cpu time spent up to now is 71.5 secs Computing kpt #: 18 total cpu time spent up to now is 73.0 secs Computing kpt #: 19 total cpu time spent up to now is 74.6 secs Computing kpt #: 20 total cpu time spent up to now is 76.1 secs Computing kpt #: 21 total cpu time spent up to now is 77.9 secs Computing kpt #: 22 total cpu time spent up to now is 79.5 secs Computing kpt #: 23 total cpu time spent up to now is 80.6 secs Computing kpt #: 24 total cpu time spent up to now is 81.9 secs Computing kpt #: 25 total cpu time spent up to now is 83.2 secs Computing kpt #: 26 total cpu time spent up to now is 85.4 secs Computing kpt #: 27 total cpu time spent up to now is 87.4 secs Computing kpt #: 28 total cpu time spent up to now is 89.3 secs Computing kpt #: 29 total cpu time spent up to now is 91.6 secs Computing kpt #: 30 total cpu time spent up to now is 93.4 secs Computing kpt #: 31 total cpu time spent up to now is 94.6 secs Computing kpt #: 32 total cpu time spent up to now is 96.5 secs Computing kpt #: 33 total cpu time spent up to now is 99.1 secs Computing kpt #: 34 total cpu time spent up to now is 101.4 secs Computing kpt #: 35 total cpu time spent up to now is 103.8 secs Computing kpt #: 36 total cpu time spent up to now is 106.1 secs Computing kpt #: 37 total cpu time spent up to now is 107.3 secs Computing kpt #: 38 total cpu time spent up to now is 109.6 secs Computing kpt #: 39 total cpu time spent up to now is 111.5 secs Computing kpt #: 40 total cpu time spent up to now is 112.8 secs Computing kpt #: 41 total cpu time spent up to now is 114.0 secs Computing kpt #: 42 total cpu time spent up to now is 115.6 secs Computing kpt #: 43 total cpu time spent up to now is 116.9 secs Computing kpt #: 44 total cpu time spent up to now is 118.4 secs Computing kpt #: 45 total cpu time spent up to now is 119.6 secs Computing kpt #: 46 total cpu time spent up to now is 121.7 secs Computing kpt #: 47 total cpu time spent up to now is 124.3 secs Computing kpt #: 48 total cpu time spent up to now is 125.5 secs Computing kpt #: 49 total cpu time spent up to now is 126.9 secs Computing kpt #: 50 total cpu time spent up to now is 128.1 secs Computing kpt #: 51 total cpu time spent up to now is 129.8 secs Computing kpt #: 52 total cpu time spent up to now is 131.7 secs Computing kpt #: 53 total cpu time spent up to now is 133.0 secs Computing kpt #: 54 total cpu time spent up to now is 134.2 secs Computing kpt #: 55 total cpu time spent up to now is 135.8 secs Computing kpt #: 56 total cpu time spent up to now is 137.1 secs Computing kpt #: 57 total cpu time spent up to now is 138.6 secs Computing kpt #: 58 total cpu time spent up to now is 140.4 secs Computing kpt #: 59 total cpu time spent up to now is 142.5 secs Computing kpt #: 60 total cpu time spent up to now is 143.9 secs Computing kpt #: 61 total cpu time spent up to now is 146.0 secs Computing kpt #: 62 total cpu time spent up to now is 147.5 secs Computing kpt #: 63 total cpu time spent up to now is 149.6 secs Computing kpt #: 64 total cpu time spent up to now is 151.2 secs Computing kpt #: 65 total cpu time spent up to now is 153.1 secs Computing kpt #: 66 total cpu time spent up to now is 155.0 secs Computing kpt #: 67 total cpu time spent up to now is 156.6 secs Computing kpt #: 68 total cpu time spent up to now is 159.8 secs Computing kpt #: 69 total cpu time spent up to now is 162.6 secs Computing kpt #: 70 total cpu time spent up to now is 164.6 secs Computing kpt #: 71 total cpu time spent up to now is 166.5 secs Computing kpt #: 72 total cpu time spent up to now is 167.9 secs Computing kpt #: 73 total cpu time spent up to now is 170.0 secs Computing kpt #: 74 total cpu time spent up to now is 171.8 secs Computing kpt #: 75 total cpu time spent up to now is 173.2 secs Computing kpt #: 76 total cpu time spent up to now is 175.0 secs Computing kpt #: 77 total cpu time spent up to now is 176.5 secs Computing kpt #: 78 total cpu time spent up to now is 177.7 secs Computing kpt #: 79 total cpu time spent up to now is 178.9 secs Computing kpt #: 80 total cpu time spent up to now is 180.4 secs Computing kpt #: 81 total cpu time spent up to now is 181.7 secs Computing kpt #: 82 total cpu time spent up to now is 184.3 secs Computing kpt #: 83 total cpu time spent up to now is 186.0 secs Computing kpt #: 84 total cpu time spent up to now is 187.2 secs Computing kpt #: 85 total cpu time spent up to now is 188.4 secs Computing kpt #: 86 total cpu time spent up to now is 189.5 secs Computing kpt #: 87 total cpu time spent up to now is 190.7 secs Computing kpt #: 88 total cpu time spent up to now is 191.9 secs Computing kpt #: 89 total cpu time spent up to now is 193.2 secs Computing kpt #: 90 total cpu time spent up to now is 194.3 secs Computing kpt #: 91 total cpu time spent up to now is 195.5 secs Computing kpt #: 92 total cpu time spent up to now is 196.7 secs Computing kpt #: 93 total cpu time spent up to now is 198.5 secs Computing kpt #: 94 total cpu time spent up to now is 199.8 secs Computing kpt #: 95 total cpu time spent up to now is 201.2 secs Computing kpt #: 96 total cpu time spent up to now is 202.3 secs Computing kpt #: 97 total cpu time spent up to now is 203.5 secs Computing kpt #: 98 total cpu time spent up to now is 205.6 secs Computing kpt #: 99 total cpu time spent up to now is 208.1 secs Computing kpt #: 100 total cpu time spent up to now is 209.9 secs Computing kpt #: 101 total cpu time spent up to now is 211.5 secs Computing kpt #: 102 total cpu time spent up to now is 212.7 secs Computing kpt #: 103 total cpu time spent up to now is 213.9 secs Computing kpt #: 104 total cpu time spent up to now is 215.2 secs Computing kpt #: 105 total cpu time spent up to now is 217.0 secs Computing kpt #: 106 total cpu time spent up to now is 220.1 secs Computing kpt #: 107 total cpu time spent up to now is 222.8 secs Computing kpt #: 108 total cpu time spent up to now is 224.6 secs Computing kpt #: 109 total cpu time spent up to now is 225.9 secs Computing kpt #: 110 total cpu time spent up to now is 227.6 secs Computing kpt #: 111 total cpu time spent up to now is 229.8 secs Computing kpt #: 112 total cpu time spent up to now is 231.9 secs Computing kpt #: 113 total cpu time spent up to now is 233.6 secs Computing kpt #: 114 total cpu time spent up to now is 234.8 secs Computing kpt #: 115 total cpu time spent up to now is 236.2 secs Computing kpt #: 116 total cpu time spent up to now is 237.9 secs Computing kpt #: 117 total cpu time spent up to now is 240.3 secs Computing kpt #: 118 total cpu time spent up to now is 242.0 secs Computing kpt #: 119 total cpu time spent up to now is 243.4 secs Computing kpt #: 120 total cpu time spent up to now is 244.8 secs Computing kpt #: 121 total cpu time spent up to now is 248.6 secs Computing kpt #: 122 total cpu time spent up to now is 250.1 secs Computing kpt #: 123 total cpu time spent up to now is 251.4 secs Computing kpt #: 124 total cpu time spent up to now is 252.9 secs Computing kpt #: 125 total cpu time spent up to now is 254.4 secs Computing kpt #: 126 total cpu time spent up to now is 255.8 secs Computing kpt #: 127 total cpu time spent up to now is 257.3 secs Computing kpt #: 128 total cpu time spent up to now is 258.9 secs Computing kpt #: 129 total cpu time spent up to now is 260.5 secs Computing kpt #: 130 total cpu time spent up to now is 262.2 secs Computing kpt #: 131 total cpu time spent up to now is 263.6 secs Computing kpt #: 132 total cpu time spent up to now is 266.1 secs Computing kpt #: 133 total cpu time spent up to now is 268.0 secs Computing kpt #: 134 total cpu time spent up to now is 269.5 secs Computing kpt #: 135 total cpu time spent up to now is 271.5 secs Computing kpt #: 136 total cpu time spent up to now is 273.9 secs Computing kpt #: 137 total cpu time spent up to now is 275.3 secs Computing kpt #: 138 total cpu time spent up to now is 276.7 secs Computing kpt #: 139 total cpu time spent up to now is 278.8 secs Computing kpt #: 140 total cpu time spent up to now is 280.4 secs Computing kpt #: 141 total cpu time spent up to now is 282.3 secs Computing kpt #: 142 total cpu time spent up to now is 284.0 secs Computing kpt #: 143 total cpu time spent up to now is 285.3 secs Computing kpt #: 144 total cpu time spent up to now is 286.6 secs Computing kpt #: 145 total cpu time spent up to now is 287.9 secs Computing kpt #: 146 total cpu time spent up to now is 289.2 secs Computing kpt #: 147 total cpu time spent up to now is 290.4 secs Computing kpt #: 148 total cpu time spent up to now is 292.5 secs Computing kpt #: 149 total cpu time spent up to now is 293.7 secs Computing kpt #: 150 total cpu time spent up to now is 297.3 secs Computing kpt #: 151 total cpu time spent up to now is 298.5 secs Computing kpt #: 152 total cpu time spent up to now is 299.7 secs Computing kpt #: 153 total cpu time spent up to now is 300.9 secs Computing kpt #: 154 total cpu time spent up to now is 302.9 secs Computing kpt #: 155 total cpu time spent up to now is 304.8 secs Computing kpt #: 156 total cpu time spent up to now is 308.0 secs Computing kpt #: 157 total cpu time spent up to now is 309.7 secs Computing kpt #: 158 total cpu time spent up to now is 312.0 secs Computing kpt #: 159 total cpu time spent up to now is 313.2 secs Computing kpt #: 160 total cpu time spent up to now is 315.3 secs Computing kpt #: 161 total cpu time spent up to now is 316.8 secs Computing kpt #: 162 total cpu time spent up to now is 318.4 secs Computing kpt #: 163 total cpu time spent up to now is 321.3 secs Computing kpt #: 164 total cpu time spent up to now is 323.1 secs Computing kpt #: 165 total cpu time spent up to now is 327.4 secs Computing kpt #: 166 total cpu time spent up to now is 328.5 secs Computing kpt #: 167 total cpu time spent up to now is 329.6 secs Computing kpt #: 168 total cpu time spent up to now is 330.7 secs Computing kpt #: 169 total cpu time spent up to now is 332.7 secs Computing kpt #: 170 total cpu time spent up to now is 334.6 secs Computing kpt #: 171 total cpu time spent up to now is 336.3 secs Computing kpt #: 172 total cpu time spent up to now is 338.2 secs Computing kpt #: 173 total cpu time spent up to now is 339.6 secs Computing kpt #: 174 total cpu time spent up to now is 341.2 secs Computing kpt #: 175 total cpu time spent up to now is 342.8 secs Computing kpt #: 176 total cpu time spent up to now is 344.4 secs Computing kpt #: 177 total cpu time spent up to now is 346.4 secs Computing kpt #: 178 total cpu time spent up to now is 349.6 secs Computing kpt #: 179 total cpu time spent up to now is 351.0 secs Computing kpt #: 180 total cpu time spent up to now is 352.2 secs Computing kpt #: 181 total cpu time spent up to now is 353.9 secs Computing kpt #: 182 total cpu time spent up to now is 355.4 secs Computing kpt #: 183 total cpu time spent up to now is 357.4 secs Computing kpt #: 184 total cpu time spent up to now is 359.1 secs Computing kpt #: 185 total cpu time spent up to now is 360.4 secs Computing kpt #: 186 total cpu time spent up to now is 362.0 secs Computing kpt #: 187 total cpu time spent up to now is 364.0 secs Computing kpt #: 188 total cpu time spent up to now is 366.0 secs Computing kpt #: 189 total cpu time spent up to now is 368.0 secs Computing kpt #: 190 total cpu time spent up to now is 369.3 secs Computing kpt #: 191 total cpu time spent up to now is 370.6 secs Computing kpt #: 192 total cpu time spent up to now is 372.9 secs Computing kpt #: 193 total cpu time spent up to now is 375.8 secs Computing kpt #: 194 total cpu time spent up to now is 377.3 secs Computing kpt #: 195 total cpu time spent up to now is 378.6 secs Computing kpt #: 196 total cpu time spent up to now is 380.0 secs Computing kpt #: 197 total cpu time spent up to now is 381.9 secs Computing kpt #: 198 total cpu time spent up to now is 384.1 secs Computing kpt #: 199 total cpu time spent up to now is 386.1 secs Computing kpt #: 200 total cpu time spent up to now is 387.4 secs Computing kpt #: 201 total cpu time spent up to now is 388.7 secs Computing kpt #: 202 total cpu time spent up to now is 390.4 secs Computing kpt #: 203 total cpu time spent up to now is 392.7 secs Computing kpt #: 204 total cpu time spent up to now is 394.7 secs Computing kpt #: 205 total cpu time spent up to now is 396.9 secs Computing kpt #: 206 total cpu time spent up to now is 398.2 secs Computing kpt #: 207 total cpu time spent up to now is 399.6 secs Computing kpt #: 208 total cpu time spent up to now is 401.1 secs Computing kpt #: 209 total cpu time spent up to now is 402.4 secs Computing kpt #: 210 total cpu time spent up to now is 404.5 secs Computing kpt #: 211 total cpu time spent up to now is 406.5 secs Computing kpt #: 212 total cpu time spent up to now is 408.5 secs Computing kpt #: 213 total cpu time spent up to now is 411.2 secs Computing kpt #: 214 total cpu time spent up to now is 412.6 secs Computing kpt #: 215 total cpu time spent up to now is 414.0 secs Computing kpt #: 216 total cpu time spent up to now is 415.9 secs Computing kpt #: 217 total cpu time spent up to now is 417.4 secs Computing kpt #: 218 total cpu time spent up to now is 418.8 secs Computing kpt #: 219 total cpu time spent up to now is 421.5 secs Computing kpt #: 220 total cpu time spent up to now is 422.9 secs Computing kpt #: 221 total cpu time spent up to now is 424.2 secs Computing kpt #: 222 total cpu time spent up to now is 425.6 secs Computing kpt #: 223 total cpu time spent up to now is 427.7 secs Computing kpt #: 224 total cpu time spent up to now is 430.1 secs Computing kpt #: 225 total cpu time spent up to now is 433.7 secs Computing kpt #: 226 total cpu time spent up to now is 434.9 secs Computing kpt #: 227 total cpu time spent up to now is 438.0 secs Computing kpt #: 228 total cpu time spent up to now is 439.4 secs Computing kpt #: 229 total cpu time spent up to now is 440.7 secs Computing kpt #: 230 total cpu time spent up to now is 442.4 secs Computing kpt #: 231 total cpu time spent up to now is 444.5 secs Computing kpt #: 232 total cpu time spent up to now is 446.1 secs Computing kpt #: 233 total cpu time spent up to now is 448.7 secs Computing kpt #: 234 total cpu time spent up to now is 450.2 secs Computing kpt #: 235 total cpu time spent up to now is 451.5 secs Computing kpt #: 236 total cpu time spent up to now is 453.7 secs Computing kpt #: 237 total cpu time spent up to now is 455.8 secs Computing kpt #: 238 total cpu time spent up to now is 458.7 secs Computing kpt #: 239 total cpu time spent up to now is 461.7 secs Computing kpt #: 240 total cpu time spent up to now is 463.0 secs Computing kpt #: 241 total cpu time spent up to now is 464.2 secs Computing kpt #: 242 total cpu time spent up to now is 465.4 secs Computing kpt #: 243 total cpu time spent up to now is 466.7 secs Computing kpt #: 244 total cpu time spent up to now is 467.9 secs Computing kpt #: 245 total cpu time spent up to now is 469.1 secs Computing kpt #: 246 total cpu time spent up to now is 470.2 secs Computing kpt #: 247 total cpu time spent up to now is 472.2 secs Computing kpt #: 248 total cpu time spent up to now is 474.3 secs Computing kpt #: 249 total cpu time spent up to now is 475.5 secs Computing kpt #: 250 total cpu time spent up to now is 477.4 secs Computing kpt #: 251 total cpu time spent up to now is 478.8 secs Computing kpt #: 252 total cpu time spent up to now is 480.6 secs Computing kpt #: 253 total cpu time spent up to now is 482.5 secs Computing kpt #: 254 total cpu time spent up to now is 483.6 secs Computing kpt #: 255 total cpu time spent up to now is 484.6 secs Computing kpt #: 256 total cpu time spent up to now is 486.3 secs Computing kpt #: 257 total cpu time spent up to now is 487.5 secs Computing kpt #: 258 total cpu time spent up to now is 488.7 secs Computing kpt #: 259 total cpu time spent up to now is 490.2 secs Computing kpt #: 260 total cpu time spent up to now is 492.0 secs Computing kpt #: 261 total cpu time spent up to now is 494.1 secs Computing kpt #: 262 total cpu time spent up to now is 497.9 secs Computing kpt #: 263 total cpu time spent up to now is 498.9 secs Computing kpt #: 264 total cpu time spent up to now is 500.0 secs Computing kpt #: 265 total cpu time spent up to now is 501.3 secs Computing kpt #: 266 total cpu time spent up to now is 502.9 secs Computing kpt #: 267 total cpu time spent up to now is 505.1 secs Computing kpt #: 268 total cpu time spent up to now is 506.5 secs Computing kpt #: 269 total cpu time spent up to now is 507.9 secs Computing kpt #: 270 total cpu time spent up to now is 509.5 secs Computing kpt #: 271 total cpu time spent up to now is 510.5 secs Computing kpt #: 272 total cpu time spent up to now is 511.7 secs Computing kpt #: 273 total cpu time spent up to now is 512.8 secs Computing kpt #: 274 total cpu time spent up to now is 513.8 secs Computing kpt #: 275 total cpu time spent up to now is 515.4 secs Computing kpt #: 276 total cpu time spent up to now is 517.5 secs Computing kpt #: 277 total cpu time spent up to now is 519.0 secs Computing kpt #: 278 total cpu time spent up to now is 520.1 secs Computing kpt #: 279 total cpu time spent up to now is 521.1 secs Computing kpt #: 280 total cpu time spent up to now is 522.1 secs Computing kpt #: 281 total cpu time spent up to now is 523.4 secs Computing kpt #: 282 total cpu time spent up to now is 525.2 secs Computing kpt #: 283 total cpu time spent up to now is 526.6 secs Computing kpt #: 284 total cpu time spent up to now is 527.8 secs Computing kpt #: 285 total cpu time spent up to now is 528.8 secs Computing kpt #: 286 total cpu time spent up to now is 529.8 secs Computing kpt #: 287 total cpu time spent up to now is 531.7 secs Computing kpt #: 288 total cpu time spent up to now is 534.2 secs Computing kpt #: 289 total cpu time spent up to now is 535.7 secs Computing kpt #: 290 total cpu time spent up to now is 536.9 secs Computing kpt #: 291 total cpu time spent up to now is 538.1 secs Computing kpt #: 292 total cpu time spent up to now is 539.4 secs Computing kpt #: 293 total cpu time spent up to now is 541.2 secs Computing kpt #: 294 total cpu time spent up to now is 543.2 secs Computing kpt #: 295 total cpu time spent up to now is 544.3 secs Computing kpt #: 296 total cpu time spent up to now is 545.4 secs Computing kpt #: 297 total cpu time spent up to now is 547.1 secs Computing kpt #: 298 total cpu time spent up to now is 548.8 secs Computing kpt #: 299 total cpu time spent up to now is 550.5 secs Computing kpt #: 300 total cpu time spent up to now is 552.2 secs Computing kpt #: 301 total cpu time spent up to now is 553.3 secs Computing kpt #: 302 total cpu time spent up to now is 554.5 secs Computing kpt #: 303 total cpu time spent up to now is 556.1 secs Computing kpt #: 304 total cpu time spent up to now is 558.1 secs Computing kpt #: 305 total cpu time spent up to now is 560.0 secs Computing kpt #: 306 total cpu time spent up to now is 561.9 secs Computing kpt #: 307 total cpu time spent up to now is 563.2 secs Computing kpt #: 308 total cpu time spent up to now is 564.4 secs Computing kpt #: 309 total cpu time spent up to now is 565.5 secs Computing kpt #: 310 total cpu time spent up to now is 566.7 secs Computing kpt #: 311 total cpu time spent up to now is 568.2 secs Computing kpt #: 312 total cpu time spent up to now is 569.8 secs Computing kpt #: 313 total cpu time spent up to now is 571.0 secs Computing kpt #: 314 total cpu time spent up to now is 572.4 secs Computing kpt #: 315 total cpu time spent up to now is 575.3 secs Computing kpt #: 316 total cpu time spent up to now is 577.2 secs Computing kpt #: 317 total cpu time spent up to now is 579.2 secs Computing kpt #: 318 total cpu time spent up to now is 580.4 secs Computing kpt #: 319 total cpu time spent up to now is 581.5 secs Computing kpt #: 320 total cpu time spent up to now is 582.7 secs Computing kpt #: 321 total cpu time spent up to now is 583.8 secs Computing kpt #: 322 total cpu time spent up to now is 585.0 secs Computing kpt #: 323 total cpu time spent up to now is 586.2 secs Computing kpt #: 324 total cpu time spent up to now is 588.9 secs Computing kpt #: 325 total cpu time spent up to now is 591.1 secs Computing kpt #: 326 total cpu time spent up to now is 592.2 secs Computing kpt #: 327 total cpu time spent up to now is 593.3 secs Computing kpt #: 328 total cpu time spent up to now is 594.9 secs Computing kpt #: 329 total cpu time spent up to now is 596.8 secs Computing kpt #: 330 total cpu time spent up to now is 598.0 secs Computing kpt #: 331 total cpu time spent up to now is 599.1 secs Computing kpt #: 332 total cpu time spent up to now is 600.1 secs Computing kpt #: 333 total cpu time spent up to now is 601.3 secs Computing kpt #: 334 total cpu time spent up to now is 602.3 secs Computing kpt #: 335 total cpu time spent up to now is 603.8 secs Computing kpt #: 336 total cpu time spent up to now is 605.8 secs Computing kpt #: 337 total cpu time spent up to now is 607.7 secs Computing kpt #: 338 total cpu time spent up to now is 608.7 secs Computing kpt #: 339 total cpu time spent up to now is 610.3 secs Computing kpt #: 340 total cpu time spent up to now is 612.3 secs Computing kpt #: 341 total cpu time spent up to now is 614.4 secs Computing kpt #: 342 total cpu time spent up to now is 616.3 secs Computing kpt #: 343 total cpu time spent up to now is 618.0 secs Computing kpt #: 344 total cpu time spent up to now is 619.8 secs Computing kpt #: 345 total cpu time spent up to now is 621.2 secs Computing kpt #: 346 total cpu time spent up to now is 622.2 secs Computing kpt #: 347 total cpu time spent up to now is 623.2 secs Computing kpt #: 348 total cpu time spent up to now is 624.3 secs ethr = 2.00E-11, avg # of iterations = 15.2 total cpu time spent up to now is 624.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2763 PWs) bands (ev): -18.5243 -18.5243 -17.7394 -17.7394 -17.7324 -17.7324 -17.6924 -17.6924 -2.4448 -2.4448 -1.3031 -1.3031 -0.6245 -0.6245 -0.3344 -0.3344 -0.1492 -0.1492 -0.0872 -0.0872 0.0752 0.0752 0.5233 0.5233 1.4459 1.4459 1.8217 1.8217 1.8632 1.8632 2.0889 2.0889 2.9401 2.9401 3.1034 3.1034 3.2656 3.2656 3.2997 3.2997 3.4375 3.4375 3.7849 3.7849 4.0498 4.0498 4.7296 4.7296 4.8917 4.8917 5.6094 5.6094 8.1311 8.1311 13.5691 13.5691 13.7661 13.7661 14.4005 14.4005 k = 0.0000 0.0000 0.0142 ( 2763 PWs) bands (ev): -18.5240 -18.5240 -17.7394 -17.7394 -17.7333 -17.7333 -17.6918 -17.6918 -2.4438 -2.4438 -1.3028 -1.3028 -0.6239 -0.6239 -0.3350 -0.3350 -0.1492 -0.1492 -0.0861 -0.0861 0.0742 0.0742 0.5229 0.5229 1.4447 1.4447 1.8204 1.8204 1.8610 1.8610 2.0887 2.0887 2.9412 2.9412 3.1041 3.1041 3.2664 3.2664 3.3003 3.3003 3.4379 3.4379 3.7853 3.7853 4.0495 4.0495 4.7293 4.7293 4.8915 4.8915 5.6087 5.6087 8.1341 8.1341 13.5702 13.5702 13.7583 13.7583 14.4058 14.4058 k = 0.0000 0.0000 0.0285 ( 2760 PWs) bands (ev): -18.5230 -18.5230 -17.7399 -17.7399 -17.7357 -17.7357 -17.6901 -17.6901 -2.4406 -2.4406 -1.3020 -1.3020 -0.6224 -0.6224 -0.3366 -0.3366 -0.1493 -0.1493 -0.0827 -0.0827 0.0712 0.0712 0.5217 0.5217 1.4412 1.4412 1.8163 1.8163 1.8547 1.8547 2.0882 2.0882 2.9445 2.9445 3.1061 3.1061 3.2685 3.2685 3.3020 3.3020 3.4392 3.4392 3.7866 3.7866 4.0484 4.0484 4.7284 4.7284 4.8909 4.8909 5.6067 5.6067 8.1428 8.1428 13.5735 13.5735 13.7358 13.7358 14.4211 14.4211 k = 0.0000 0.0000 0.0427 ( 2759 PWs) bands (ev): -18.5213 -18.5213 -17.7426 -17.7426 -17.7374 -17.7374 -17.6877 -17.6877 -2.4353 -2.4353 -1.3006 -1.3006 -0.6199 -0.6199 -0.3391 -0.3391 -0.1494 -0.1494 -0.0773 -0.0773 0.0662 0.0662 0.5197 0.5197 1.4353 1.4353 1.8089 1.8089 1.8449 1.8449 2.0873 2.0873 2.9499 2.9499 3.1096 3.1096 3.2720 3.2720 3.3050 3.3050 3.4414 3.4414 3.7888 3.7888 4.0467 4.0467 4.7270 4.7270 4.8899 4.8899 5.6032 5.6032 8.1574 8.1574 13.5786 13.5786 13.7011 13.7011 14.4445 14.4445 k = 0.0000 0.0000 0.0569 ( 2757 PWs) bands (ev): -18.5189 -18.5189 -17.7479 -17.7479 -17.7375 -17.7375 -17.6850 -17.6850 -2.4278 -2.4278 -1.2987 -1.2987 -0.6164 -0.6164 -0.3424 -0.3424 -0.1497 -0.1497 -0.0700 -0.0700 0.0594 0.0594 0.5168 0.5168 1.4271 1.4271 1.7973 1.7973 1.8330 1.8330 2.0860 2.0860 2.9573 2.9573 3.1142 3.1142 3.2764 3.2764 3.3092 3.3092 3.4444 3.4444 3.7919 3.7919 4.0442 4.0442 4.7250 4.7250 4.8885 4.8885 5.5984 5.5984 8.1777 8.1777 13.5838 13.5838 13.6581 13.6581 14.4734 14.4734 k = 0.0000 0.0000 0.0711 ( 2751 PWs) bands (ev): -18.5158 -18.5158 -17.7545 -17.7545 -17.7372 -17.7372 -17.6823 -17.6823 -2.4183 -2.4183 -1.2962 -1.2962 -0.6120 -0.6120 -0.3462 -0.3462 -0.1501 -0.1501 -0.0609 -0.0609 0.0507 0.0507 0.5132 0.5132 1.4167 1.4167 1.7801 1.7801 1.8207 1.8207 2.0843 2.0843 2.9665 2.9665 3.1200 3.1200 3.2816 3.2816 3.3150 3.3150 3.4482 3.4482 3.7960 3.7960 4.0412 4.0412 4.7224 4.7224 4.8868 4.8868 5.5923 5.5923 8.2037 8.2037 13.5750 13.5750 13.6230 13.6230 14.5058 14.5058 k = 0.0000 0.0000 0.0854 ( 2754 PWs) bands (ev): -18.5121 -18.5121 -17.7621 -17.7621 -17.7366 -17.7366 -17.6796 -17.6796 -2.4066 -2.4066 -1.2932 -1.2932 -0.6067 -0.6067 -0.3504 -0.3504 -0.1507 -0.1507 -0.0503 -0.0503 0.0403 0.0403 0.5089 0.5089 1.4042 1.4042 1.7570 1.7570 1.8088 1.8088 2.0820 2.0820 2.9773 2.9773 3.1268 3.1268 3.2873 3.2873 3.3222 3.3222 3.4529 3.4529 3.8011 3.8011 4.0374 4.0374 4.7193 4.7193 4.8847 4.8847 5.5847 5.5847 8.2352 8.2352 13.5264 13.5264 13.6233 13.6233 14.5400 14.5400 k = 0.0000 0.0000 0.0996 ( 2750 PWs) bands (ev): -18.5077 -18.5077 -17.7703 -17.7703 -17.7360 -17.7360 -17.6770 -17.6770 -2.3930 -2.3930 -1.2898 -1.2898 -0.6006 -0.6006 -0.3546 -0.3546 -0.1517 -0.1517 -0.0385 -0.0385 0.0284 0.0284 0.5038 0.5038 1.3896 1.3896 1.7286 1.7286 1.7971 1.7971 2.0792 2.0792 2.9896 2.9896 3.1344 3.1344 3.2932 3.2932 3.3308 3.3308 3.4586 3.4586 3.8075 3.8075 4.0331 4.0331 4.7157 4.7157 4.8822 4.8822 5.5758 5.5758 8.2721 8.2721 13.4617 13.4617 13.6366 13.6366 14.5748 14.5748 k = 0.0000 0.0000 0.1138 ( 2754 PWs) bands (ev): -18.5026 -18.5026 -17.7793 -17.7793 -17.7352 -17.7352 -17.6747 -17.6747 -2.3773 -2.3773 -1.2859 -1.2859 -0.5939 -0.5939 -0.3586 -0.3586 -0.1531 -0.1531 -0.0257 -0.0257 0.0154 0.0154 0.4981 0.4981 1.3731 1.3731 1.6959 1.6959 1.7856 1.7856 2.0758 2.0758 3.0031 3.0031 3.1428 3.1428 3.2991 3.2991 3.3406 3.3406 3.4651 3.4651 3.8150 3.8150 4.0282 4.0282 4.7116 4.7116 4.8794 4.8794 5.5655 5.5655 8.3142 8.3142 13.3906 13.3906 13.6540 13.6540 14.6092 14.6092 k = 0.0000 0.0000 0.1280 ( 2752 PWs) bands (ev): -18.4969 -18.4969 -17.7888 -17.7888 -17.7343 -17.7343 -17.6726 -17.6726 -2.3596 -2.3596 -1.2816 -1.2816 -0.5866 -0.5866 -0.3622 -0.3622 -0.1552 -0.1552 -0.0130 -0.0130 0.0023 0.0023 0.4918 0.4918 1.3547 1.3547 1.6594 1.6594 1.7739 1.7739 2.0718 2.0718 3.0176 3.0176 3.1519 3.1519 3.3052 3.3052 3.3512 3.3512 3.4727 3.4727 3.8240 3.8240 4.0227 4.0227 4.7070 4.7070 4.8763 4.8763 5.5539 5.5539 8.3614 8.3614 13.3151 13.3151 13.6743 13.6743 14.6426 14.6426 k = 0.0000 0.0000 0.1423 ( 2756 PWs) bands (ev): -18.4906 -18.4906 -17.7989 -17.7989 -17.7333 -17.7333 -17.6708 -17.6708 -2.3400 -2.3400 -1.2770 -1.2770 -0.5789 -0.5789 -0.3650 -0.3650 -0.1583 -0.1583 -0.0160 -0.0160 0.0049 0.0049 0.4851 0.4851 1.3346 1.3346 1.6198 1.6198 1.7623 1.7623 2.0671 2.0671 3.0329 3.0329 3.1616 3.1616 3.3114 3.3114 3.3623 3.3623 3.4811 3.4811 3.8344 3.8344 4.0168 4.0168 4.7019 4.7019 4.8730 4.8730 5.5409 5.5409 8.4135 8.4135 13.2360 13.2360 13.6970 13.6970 14.6746 14.6746 k = 0.0000 0.0000 0.1565 ( 2754 PWs) bands (ev): -18.4836 -18.4836 -17.8095 -17.8095 -17.7322 -17.7322 -17.6692 -17.6692 -2.3184 -2.3184 -1.2720 -1.2720 -0.5711 -0.5711 -0.3668 -0.3668 -0.1628 -0.1628 -0.0303 -0.0303 0.0194 0.0194 0.4779 0.4779 1.3127 1.3127 1.5776 1.5776 1.7507 1.7507 2.0617 2.0617 3.0490 3.0490 3.1718 3.1718 3.3178 3.3178 3.3734 3.3734 3.4903 3.4903 3.8463 3.8463 4.0106 4.0106 4.6964 4.6964 4.8693 4.8693 5.5266 5.5266 8.4703 8.4703 13.1538 13.1538 13.7220 13.7220 14.7047 14.7047 k = 0.0000 0.0000 0.1707 ( 2752 PWs) bands (ev): -18.4761 -18.4761 -17.8206 -17.8206 -17.7310 -17.7310 -17.6678 -17.6678 -2.2950 -2.2950 -1.2669 -1.2669 -0.5635 -0.5635 -0.3673 -0.3673 -0.1694 -0.1694 -0.0445 -0.0445 0.0347 0.0347 0.4705 0.4705 1.2892 1.2892 1.5332 1.5332 1.7395 1.7395 2.0555 2.0555 3.0655 3.0655 3.1826 3.1826 3.3243 3.3243 3.3841 3.3841 3.5003 3.5003 3.8597 3.8597 4.0043 4.0043 4.6906 4.6906 4.8655 4.8655 5.5110 5.5110 8.5315 8.5315 13.0687 13.0687 13.7491 13.7491 14.7327 14.7327 k = 0.0000 0.0000 0.1849 ( 2754 PWs) bands (ev): -18.4679 -18.4679 -17.8322 -17.8322 -17.7297 -17.7297 -17.6668 -17.6668 -2.2698 -2.2698 -1.2616 -1.2616 -0.5563 -0.5563 -0.3660 -0.3660 -0.1787 -0.1787 -0.0574 -0.0574 0.0504 0.0504 0.4630 0.4630 1.2641 1.2641 1.4871 1.4871 1.7287 1.7287 2.0485 2.0485 3.0823 3.0823 3.1937 3.1937 3.3309 3.3309 3.3943 3.3943 3.5107 3.5107 3.8744 3.8744 3.9983 3.9983 4.6843 4.6843 4.8615 4.8615 5.4940 5.4940 8.5970 8.5970 12.9812 12.9812 13.7783 13.7783 14.7585 14.7585 k = 0.0000 0.0000 0.1992 ( 2752 PWs) bands (ev): -18.4591 -18.4591 -17.8444 -17.8444 -17.7283 -17.7283 -17.6659 -17.6659 -2.2428 -2.2428 -1.2563 -1.2563 -0.5499 -0.5499 -0.3626 -0.3626 -0.1913 -0.1913 -0.0681 -0.0681 0.0659 0.0659 0.4556 0.4556 1.2372 1.2372 1.4398 1.4398 1.7185 1.7185 2.0408 2.0408 3.0994 3.0994 3.2052 3.2052 3.3377 3.3377 3.4039 3.4039 3.5213 3.5213 3.8897 3.8897 3.9933 3.9933 4.6778 4.6778 4.8573 4.8573 5.4758 5.4758 8.6665 8.6665 12.8914 12.8914 13.8095 13.8095 14.7819 14.7819 k = 0.0000 0.0000 0.2134 ( 2750 PWs) bands (ev): -18.4497 -18.4497 -17.8569 -17.8569 -17.7269 -17.7269 -17.6653 -17.6653 -2.2142 -2.2142 -1.2510 -1.2510 -0.5446 -0.5446 -0.3569 -0.3569 -0.2074 -0.2074 -0.0762 -0.0762 0.0812 0.0812 0.4486 0.4486 1.2084 1.2084 1.3919 1.3919 1.7090 1.7090 2.0323 2.0323 3.1166 3.1166 3.2171 3.2171 3.3446 3.3446 3.4127 3.4127 3.5320 3.5320 3.9040 3.9040 3.9910 3.9910 4.6710 4.6710 4.8531 4.8531 5.4564 5.4564 8.7399 8.7399 12.7994 12.7994 13.8425 13.8425 14.8027 14.8027 k = 0.0000 0.0000 0.2276 ( 2748 PWs) bands (ev): -18.4398 -18.4398 -17.8700 -17.8700 -17.7253 -17.7253 -17.6649 -17.6649 -2.1839 -2.1839 -1.2460 -1.2460 -0.5407 -0.5407 -0.3486 -0.3486 -0.2269 -0.2269 -0.0818 -0.0818 0.0959 0.0959 0.4422 0.4422 1.1775 1.1775 1.3440 1.3440 1.7005 1.7005 2.0230 2.0230 3.1338 3.1338 3.2293 3.2293 3.3516 3.3516 3.4208 3.4208 3.5425 3.5425 3.9145 3.9145 3.9942 3.9942 4.6640 4.6640 4.8488 4.8488 5.4357 5.4357 8.8169 8.8169 12.7056 12.7056 13.8772 13.8772 14.8209 14.8209 k = 0.0000 0.0000 0.2418 ( 2757 PWs) bands (ev): -18.4293 -18.4293 -17.8834 -17.8834 -17.7237 -17.7237 -17.6648 -17.6648 -2.1521 -2.1521 -1.2412 -1.2412 -0.5382 -0.5382 -0.3376 -0.3376 -0.2490 -0.2490 -0.0853 -0.0853 0.1096 0.1096 0.4369 0.4369 1.1441 1.1441 1.2967 1.2967 1.6929 1.6929 2.0130 2.0130 3.1509 3.1509 3.2416 3.2416 3.3587 3.3587 3.4282 3.4282 3.5526 3.5526 3.9183 3.9183 4.0055 4.0055 4.6568 4.6568 4.8446 4.8446 5.4139 5.4139 8.8972 8.8972 12.6099 12.6099 13.9134 13.9134 14.8365 14.8365 k = 0.0000 0.0000 0.2561 ( 2757 PWs) bands (ev): -18.4183 -18.4183 -17.8973 -17.8973 -17.7220 -17.7220 -17.6648 -17.6648 -2.1189 -2.1189 -1.2369 -1.2369 -0.5371 -0.5371 -0.3242 -0.3242 -0.2729 -0.2729 -0.0870 -0.0870 0.1220 0.1220 0.4331 0.4331 1.1077 1.1077 1.2510 1.2510 1.6864 1.6864 2.0022 2.0022 3.1678 3.1678 3.2541 3.2541 3.3658 3.3658 3.4348 3.4348 3.5623 3.5623 3.9158 3.9158 4.0247 4.0247 4.6495 4.6495 4.8405 4.8405 5.3909 5.3909 8.9808 8.9808 12.5125 12.5125 13.9511 13.9511 14.8494 14.8494 k = 0.0000 0.0000 0.2703 ( 2762 PWs) bands (ev): -18.4068 -18.4068 -17.9115 -17.9115 -17.7203 -17.7203 -17.6651 -17.6651 -2.0843 -2.0843 -1.2333 -1.2333 -0.5373 -0.5373 -0.3108 -0.3108 -0.2958 -0.2958 -0.0875 -0.0875 0.1327 0.1327 0.4312 0.4312 1.0681 1.0681 1.2075 1.2075 1.6811 1.6811 1.9907 1.9907 3.1844 3.1844 3.2666 3.2666 3.3730 3.3730 3.4408 3.4408 3.5715 3.5715 3.9092 3.9092 4.0492 4.0492 4.6420 4.6420 4.8365 4.8365 5.3669 5.3669 9.0672 9.0672 12.4136 12.4136 13.9902 13.9902 14.8594 14.8594 k = 0.0000 0.0000 0.2845 ( 2760 PWs) bands (ev): -18.3947 -18.3947 -17.9261 -17.9261 -17.7184 -17.7184 -17.6655 -17.6655 -2.0484 -2.0484 -1.2306 -1.2306 -0.5386 -0.5386 -0.3271 -0.3271 -0.2875 -0.2875 -0.0869 -0.0869 0.1414 0.1414 0.4317 0.4317 1.0251 1.0251 1.1666 1.1666 1.6770 1.6770 1.9786 1.9786 3.2008 3.2008 3.2792 3.2792 3.3801 3.3801 3.4460 3.4460 3.5802 3.5802 3.9003 3.9003 4.0772 4.0772 4.6346 4.6346 4.8329 4.8329 5.3419 5.3419 9.1565 9.1565 12.3132 12.3132 14.0303 14.0303 14.8667 14.8667 k = 0.0000 0.0000 0.2988 ( 2761 PWs) bands (ev): -18.3822 -18.3822 -17.9410 -17.9410 -17.7166 -17.7166 -17.6661 -17.6661 -2.0113 -2.0113 -1.2289 -1.2289 -0.5408 -0.5408 -0.3535 -0.3535 -0.2675 -0.2675 -0.0856 -0.0856 0.1478 0.1478 0.4349 0.4349 0.9790 0.9790 1.1283 1.1283 1.6742 1.6742 1.9658 1.9658 3.2168 3.2168 3.2915 3.2915 3.3872 3.3872 3.4506 3.4506 3.5884 3.5884 3.8899 3.8899 4.1073 4.1073 4.6270 4.6270 4.8297 4.8297 5.3159 5.3159 9.2483 9.2483 12.2115 12.2115 14.0715 14.0715 14.8712 14.8712 k = 0.0000 0.0000 0.3130 ( 2762 PWs) bands (ev): -18.3693 -18.3693 -17.9563 -17.9563 -17.7146 -17.7146 -17.6669 -17.6669 -1.9732 -1.9732 -1.2286 -1.2286 -0.5437 -0.5437 -0.3803 -0.3803 -0.2454 -0.2454 -0.0835 -0.0835 0.1519 0.1519 0.4411 0.4411 0.9304 0.9304 1.0923 1.0923 1.6727 1.6727 1.9525 1.9525 3.2324 3.2324 3.3036 3.3036 3.3942 3.3942 3.4546 3.4546 3.5964 3.5964 3.8787 3.8787 4.1389 4.1389 4.6194 4.6194 4.8270 4.8270 5.2891 5.2891 9.3424 9.3424 12.1085 12.1085 14.1135 14.1135 14.8729 14.8729 k = 0.0000 0.0000 0.3272 ( 2764 PWs) bands (ev): -18.3559 -18.3559 -17.9718 -17.9718 -17.7127 -17.7127 -17.6678 -17.6678 -1.9342 -1.9342 -1.2299 -1.2299 -0.5471 -0.5471 -0.4067 -0.4067 -0.2216 -0.2216 -0.0808 -0.0808 0.1538 0.1538 0.4502 0.4502 0.8800 0.8800 1.0580 1.0580 1.6725 1.6725 1.9387 1.9387 3.2475 3.2475 3.3153 3.3153 3.4011 3.4011 3.4578 3.4578 3.6040 3.6040 3.8668 3.8668 4.1713 4.1713 4.6119 4.6119 4.8250 4.8250 5.2615 5.2615 9.4387 9.4387 12.0044 12.0044 14.1561 14.1561 14.8717 14.8717 k = 0.0000 0.0000 0.3414 ( 2764 PWs) bands (ev): -18.3421 -18.3421 -17.9876 -17.9876 -17.7106 -17.7106 -17.6688 -17.6688 -1.8943 -1.8943 -1.2332 -1.2332 -0.5510 -0.5510 -0.4324 -0.4324 -0.1967 -0.1967 -0.0777 -0.0777 0.1539 0.1539 0.4621 0.4621 0.8286 0.8286 1.0250 1.0250 1.6736 1.6736 1.9244 1.9244 3.2622 3.2622 3.3265 3.3265 3.4079 3.4079 3.4604 3.4604 3.6116 3.6116 3.8545 3.8545 4.2042 4.2042 4.6043 4.6043 4.8238 4.8238 5.2333 5.2333 9.5370 9.5370 11.8992 11.8992 14.1991 14.1991 14.8676 14.8676 k = 0.0000 0.0000 0.3557 ( 2762 PWs) bands (ev): -18.3279 -18.3279 -18.0036 -18.0036 -17.7086 -17.7086 -17.6700 -17.6700 -1.8537 -1.8537 -1.2387 -1.2387 -0.5551 -0.5551 -0.4567 -0.4567 -0.1710 -0.1710 -0.0740 -0.0740 0.1528 0.1528 0.4765 0.4765 0.7766 0.7766 0.9931 0.9931 1.6761 1.6761 1.9098 1.9098 3.2764 3.2764 3.3370 3.3370 3.4144 3.4144 3.4624 3.4624 3.6192 3.6192 3.8418 3.8418 4.2372 4.2372 4.5967 4.5967 4.8236 4.8236 5.2044 5.2044 9.6371 9.6371 11.7931 11.7931 14.2425 14.2425 14.8607 14.8607 k = 0.0000 0.0000 0.3699 ( 2763 PWs) bands (ev): -18.3133 -18.3133 -18.0198 -18.0198 -17.7065 -17.7065 -17.6714 -17.6714 -1.8127 -1.8127 -1.2468 -1.2468 -0.5594 -0.5594 -0.4795 -0.4795 -0.1449 -0.1449 -0.0698 -0.0698 0.1513 0.1513 0.4932 0.4932 0.7246 0.7246 0.9619 0.9619 1.6798 1.6798 1.8949 1.8949 3.2899 3.2899 3.3466 3.3466 3.4206 3.4206 3.4637 3.4637 3.6268 3.6268 3.8288 3.8288 4.2699 4.2699 4.5891 4.5891 4.8246 4.8246 5.1752 5.1752 9.7388 9.7388 11.6862 11.6862 14.2859 14.2859 14.8510 14.8510 k = 0.0000 0.0000 0.3841 ( 2758 PWs) bands (ev): -18.2984 -18.2984 -18.0362 -18.0362 -17.7044 -17.7044 -17.6728 -17.6728 -1.7713 -1.7713 -1.2576 -1.2576 -0.5637 -0.5637 -0.5004 -0.5004 -0.1193 -0.1193 -0.0651 -0.0651 0.1504 0.1504 0.5116 0.5116 0.6730 0.6730 0.9314 0.9314 1.6848 1.6848 1.8799 1.8799 3.3028 3.3028 3.3553 3.3553 3.4266 3.4266 3.4645 3.4645 3.6347 3.6347 3.8158 3.8158 4.3019 4.3019 4.5813 4.5813 4.8271 4.8271 5.1457 5.1457 9.8420 9.8420 11.5785 11.5785 14.3291 14.3291 14.8385 14.8385 k = 0.0000 0.0000 0.3983 ( 2757 PWs) bands (ev): -18.2832 -18.2832 -18.0528 -18.0528 -17.7022 -17.7022 -17.6743 -17.6743 -1.7298 -1.7298 -1.2715 -1.2715 -0.5680 -0.5680 -0.5190 -0.5190 -0.0950 -0.0950 -0.0599 -0.0599 0.1513 0.1513 0.5313 0.5313 0.6222 0.6222 0.9013 0.9013 1.6909 1.6909 1.8647 1.8647 3.3151 3.3151 3.3628 3.3628 3.4321 3.4321 3.4648 3.4648 3.6428 3.6428 3.8026 3.8026 4.3329 4.3329 4.5733 4.5733 4.8313 4.8313 5.1160 5.1160 9.9465 9.9465 11.4702 11.4702 14.3719 14.3719 14.8232 14.8232 k = 0.0000 0.0000 0.4126 ( 2751 PWs) bands (ev): -18.2677 -18.2677 -18.0694 -18.0694 -17.7001 -17.7001 -17.6760 -17.6760 -1.6883 -1.6883 -1.2885 -1.2885 -0.5720 -0.5720 -0.5353 -0.5353 -0.0736 -0.0736 -0.0538 -0.0538 0.1553 0.1553 0.5487 0.5487 0.5759 0.5759 0.8718 0.8718 1.6983 1.6983 1.8494 1.8494 3.3266 3.3266 3.3691 3.3691 3.4372 3.4372 3.4646 3.4646 3.6514 3.6514 3.7894 3.7894 4.3625 4.3625 4.5650 4.5650 4.8375 4.8375 5.0864 5.0864 10.0522 10.0522 11.3613 11.3613 14.4142 14.4142 14.8051 14.8051 k = 0.0000 0.0000 0.4268 ( 2753 PWs) bands (ev): -18.2520 -18.2520 -18.0862 -18.0862 -17.6979 -17.6979 -17.6777 -17.6777 -1.6470 -1.6470 -1.3087 -1.3087 -0.5757 -0.5757 -0.5490 -0.5490 -0.0577 -0.0577 -0.0458 -0.0458 0.1641 0.1641 0.5188 0.5188 0.5791 0.5791 0.8426 0.8426 1.7067 1.7067 1.8343 1.8343 3.3372 3.3372 3.3739 3.3739 3.4417 3.4417 3.4639 3.4639 3.6603 3.6603 3.7762 3.7762 4.3903 4.3903 4.5562 4.5562 4.8459 4.8459 5.0572 5.0572 10.1588 10.1588 11.2520 11.2520 14.4557 14.4557 14.7844 14.7844 k = 0.0000 0.0000 0.4410 ( 2754 PWs) bands (ev): -18.2360 -18.2360 -18.1030 -18.1030 -17.6958 -17.6958 -17.6795 -17.6795 -1.6063 -1.6063 -1.3320 -1.3320 -0.5788 -0.5788 -0.5602 -0.5602 -0.0483 -0.0483 -0.0359 -0.0359 0.1790 0.1790 0.4718 0.4718 0.6016 0.6016 0.8139 0.8139 1.7162 1.7162 1.8193 1.8193 3.3469 3.3469 3.3773 3.3773 3.4458 3.4458 3.4630 3.4630 3.6698 3.6698 3.7631 3.7631 4.4161 4.4161 4.5467 4.5467 4.8567 4.8567 5.0285 5.0285 10.2664 10.2664 11.1423 11.1423 14.4962 14.4962 14.7611 14.7611 k = 0.0000 0.0000 0.4552 ( 2756 PWs) bands (ev): -18.2198 -18.2198 -18.1198 -18.1198 -17.6936 -17.6936 -17.6814 -17.6814 -1.5663 -1.5663 -1.3585 -1.3585 -0.5813 -0.5813 -0.5690 -0.5690 -0.0417 -0.0417 -0.0285 -0.0285 0.2005 0.2005 0.4254 0.4254 0.6259 0.6259 0.7855 0.7855 1.7266 1.7266 1.8045 1.8045 3.3556 3.3556 3.3790 3.3790 3.4493 3.4493 3.4618 3.4618 3.6799 3.6799 3.7501 3.7501 4.4398 4.4398 4.5363 4.5363 4.8701 4.8701 5.0007 5.0007 10.3747 10.3747 11.0325 11.0325 14.5355 14.5355 14.7354 14.7354 k = 0.0000 0.0000 0.4695 ( 2756 PWs) bands (ev): -18.2034 -18.2034 -18.1367 -18.1367 -17.6915 -17.6915 -17.6833 -17.6833 -1.5273 -1.5273 -1.3877 -1.3877 -0.5829 -0.5829 -0.5755 -0.5755 -0.0361 -0.0361 -0.0250 -0.0250 0.2281 0.2281 0.3806 0.3806 0.6510 0.6510 0.7576 0.7576 1.7379 1.7379 1.7902 1.7902 3.3631 3.3631 3.3790 3.3790 3.4522 3.4522 3.4604 3.4604 3.6904 3.6904 3.7374 3.7374 4.4611 4.4611 4.5247 4.5247 4.8861 4.8861 4.9741 4.9741 10.4835 10.4835 10.9225 10.9225 14.5734 14.5734 14.7072 14.7072 k = 0.0000 0.0000 0.4837 ( 2752 PWs) bands (ev): -18.1868 -18.1868 -18.1535 -18.1535 -17.6894 -17.6894 -17.6853 -17.6853 -1.4896 -1.4896 -1.4195 -1.4195 -0.5833 -0.5833 -0.5798 -0.5798 -0.0311 -0.0311 -0.0249 -0.0249 0.2609 0.2609 0.3379 0.3379 0.6768 0.6768 0.7302 0.7302 1.7500 1.7500 1.7762 1.7762 3.3693 3.3693 3.3774 3.3774 3.4548 3.4548 3.4588 3.4588 3.7015 3.7015 3.7251 3.7251 4.4801 4.4801 4.5117 4.5117 4.9047 4.9047 4.9490 4.9490 10.5929 10.5929 10.8124 10.8124 14.6097 14.6097 14.6768 14.6768 k = 0.0000 0.0000 0.4979 ( 2758 PWs) bands (ev): -18.1702 -18.1702 -18.1702 -18.1702 -17.6873 -17.6873 -17.6873 -17.6873 -1.4536 -1.4536 -1.4536 -1.4536 -0.5824 -0.5824 -0.5824 -0.5824 -0.0272 -0.0272 -0.0272 -0.0272 0.2978 0.2978 0.2978 0.2978 0.7032 0.7032 0.7032 0.7032 1.7628 1.7628 1.7628 1.7628 3.3741 3.3741 3.3741 3.3741 3.4569 3.4569 3.4569 3.4569 3.7131 3.7131 3.7131 3.7131 4.4969 4.4969 4.4969 4.4969 4.9257 4.9257 4.9257 4.9257 10.7025 10.7025 10.7025 10.7025 14.6442 14.6442 14.6442 14.6442 k = 0.0000 0.0000 0.4979 ( 2758 PWs) bands (ev): -18.1702 -18.1702 -18.1702 -18.1702 -17.6873 -17.6873 -17.6873 -17.6873 -1.4536 -1.4536 -1.4536 -1.4536 -0.5824 -0.5824 -0.5824 -0.5824 -0.0272 -0.0272 -0.0272 -0.0272 0.2978 0.2978 0.2978 0.2978 0.7032 0.7032 0.7032 0.7032 1.7628 1.7628 1.7628 1.7628 3.3741 3.3741 3.3741 3.3741 3.4569 3.4569 3.4569 3.4569 3.7131 3.7131 3.7131 3.7131 4.4969 4.4969 4.4969 4.4969 4.9257 4.9257 4.9257 4.9257 10.7025 10.7025 10.7025 10.7025 14.6442 14.6442 14.6442 14.6442 k = 0.0000 0.0144 0.4979 ( 2752 PWs) bands (ev): -18.1713 -18.1713 -18.1688 -18.1688 -17.6896 -17.6896 -17.6852 -17.6852 -1.4593 -1.4593 -1.4469 -1.4469 -0.5894 -0.5894 -0.5769 -0.5769 -0.0288 -0.0288 -0.0257 -0.0257 0.2798 0.2798 0.3156 0.3156 0.6871 0.6871 0.7185 0.7185 1.7594 1.7594 1.7663 1.7663 3.3703 3.3703 3.3771 3.3771 3.4516 3.4516 3.4633 3.4633 3.7109 3.7109 3.7154 3.7154 4.4887 4.4887 4.5044 4.5044 4.9082 4.9082 4.9426 4.9426 10.7000 10.7000 10.7091 10.7091 14.6338 14.6338 14.6582 14.6582 k = 0.0000 0.0289 0.4979 ( 2753 PWs) bands (ev): -18.1720 -18.1720 -18.1670 -18.1670 -17.6919 -17.6919 -17.6832 -17.6832 -1.4642 -1.4642 -1.4392 -1.4392 -0.5976 -0.5976 -0.5731 -0.5731 -0.0305 -0.0305 -0.0240 -0.0240 0.2618 0.2618 0.3326 0.3326 0.6704 0.6704 0.7325 0.7325 1.7563 1.7563 1.7701 1.7701 3.3660 3.3660 3.3788 3.3788 3.4477 3.4477 3.4703 3.4703 3.7087 3.7087 3.7177 3.7177 4.4797 4.4797 4.5111 4.5111 4.8898 4.8898 4.9587 4.9587 10.7016 10.7016 10.7198 10.7198 14.6268 14.6268 14.6757 14.6757 k = 0.0000 0.0433 0.4979 ( 2753 PWs) bands (ev): -18.1723 -18.1723 -18.1648 -18.1648 -17.6944 -17.6944 -17.6813 -17.6813 -1.4680 -1.4680 -1.4306 -1.4306 -0.6069 -0.6069 -0.5712 -0.5712 -0.0324 -0.0324 -0.0221 -0.0221 0.2439 0.2439 0.3483 0.3483 0.6540 0.6540 0.7452 0.7452 1.7535 1.7535 1.7739 1.7739 3.3614 3.3614 3.3791 3.3791 3.4456 3.4456 3.4776 3.4776 3.7066 3.7066 3.7202 3.7202 4.4699 4.4699 4.5172 4.5172 4.8708 4.8708 4.9741 4.9741 10.7072 10.7072 10.7344 10.7344 14.6230 14.6230 14.6969 14.6969 k = 0.0000 0.0577 0.4979 ( 2754 PWs) bands (ev): -18.1722 -18.1722 -18.1623 -18.1623 -17.6970 -17.6970 -17.6796 -17.6796 -1.4710 -1.4710 -1.4210 -1.4210 -0.6171 -0.6171 -0.5713 -0.5713 -0.0348 -0.0348 -0.0199 -0.0199 0.2265 0.2265 0.3617 0.3617 0.6387 0.6387 0.7565 0.7565 1.7509 1.7509 1.7777 1.7777 3.3568 3.3568 3.3776 3.3776 3.4454 3.4454 3.4851 3.4851 3.7047 3.7047 3.7226 3.7226 4.4592 4.4592 4.5225 4.5225 4.8511 4.8511 4.9890 4.9890 10.7170 10.7170 10.7530 10.7530 14.6224 14.6224 14.7218 14.7218 k = 0.0000 0.0721 0.4979 ( 2755 PWs) bands (ev): -18.1718 -18.1718 -18.1594 -18.1594 -17.6997 -17.6997 -17.6779 -17.6779 -1.4731 -1.4731 -1.4105 -1.4105 -0.6280 -0.6280 -0.5738 -0.5738 -0.0378 -0.0378 -0.0173 -0.0173 0.2096 0.2096 0.3718 0.3718 0.6259 0.6259 0.7665 0.7665 1.7486 1.7486 1.7814 1.7814 3.3523 3.3523 3.3746 3.3746 3.4469 3.4469 3.4926 3.4926 3.7028 3.7028 3.7251 3.7251 4.4476 4.4476 4.5269 4.5269 4.8309 4.8309 5.0032 5.0032 10.7308 10.7308 10.7755 10.7755 14.6248 14.6248 14.7503 14.7503 k = 0.0000 0.0866 0.4979 ( 2754 PWs) bands (ev): -18.1710 -18.1710 -18.1561 -18.1561 -17.7026 -17.7026 -17.6763 -17.6763 -1.4743 -1.4743 -1.3991 -1.3991 -0.6394 -0.6394 -0.5785 -0.5785 -0.0414 -0.0414 -0.0142 -0.0142 0.1933 0.1933 0.3770 0.3770 0.6173 0.6173 0.7751 0.7751 1.7463 1.7463 1.7849 1.7849 3.3480 3.3480 3.3705 3.3705 3.4498 3.4498 3.4999 3.4999 3.7010 3.7010 3.7277 3.7277 4.4350 4.4350 4.5305 4.5305 4.8105 4.8105 5.0171 5.0171 10.7486 10.7486 10.8017 10.8017 14.6298 14.6298 14.7826 14.7826 k = 0.0000 0.1010 0.4979 ( 2750 PWs) bands (ev): -18.1698 -18.1698 -18.1526 -18.1526 -17.7056 -17.7056 -17.6748 -17.6748 -1.4746 -1.4746 -1.3868 -1.3868 -0.6511 -0.6511 -0.5857 -0.5857 -0.0461 -0.0461 -0.0107 -0.0107 0.1777 0.1777 0.3761 0.3761 0.6143 0.6143 0.7826 0.7826 1.7442 1.7442 1.7880 1.7880 3.3438 3.3438 3.3656 3.3656 3.4536 3.4536 3.5069 3.5069 3.6994 3.6994 3.7303 3.7303 4.4215 4.4215 4.5330 4.5330 4.7902 4.7902 5.0307 5.0307 10.7703 10.7703 10.8316 10.8316 14.6374 14.6374 14.8185 14.8185 k = 0.0000 0.1154 0.4979 ( 2752 PWs) bands (ev): -18.1683 -18.1683 -18.1487 -18.1487 -17.7087 -17.7087 -17.6734 -17.6734 -1.4742 -1.4742 -1.3736 -1.3736 -0.6630 -0.6630 -0.5954 -0.5954 -0.0518 -0.0518 -0.0068 -0.0068 0.1631 0.1631 0.3686 0.3686 0.6176 0.6176 0.7891 0.7891 1.7419 1.7419 1.7907 1.7907 3.3398 3.3398 3.3602 3.3602 3.4579 3.4579 3.5134 3.5134 3.6978 3.6978 3.7329 3.7329 4.4069 4.4069 4.5339 4.5339 4.7704 4.7704 5.0439 5.0439 10.7959 10.7959 10.8651 10.8651 14.6473 14.6473 14.8581 14.8581 k = 0.0000 0.1299 0.4979 ( 2754 PWs) bands (ev): -18.1664 -18.1664 -18.1445 -18.1445 -17.7120 -17.7120 -17.6721 -17.6721 -1.4730 -1.4730 -1.3595 -1.3595 -0.6751 -0.6751 -0.6074 -0.6074 -0.0588 -0.0588 -0.0029 -0.0029 0.1496 0.1496 0.3553 0.3553 0.6269 0.6269 0.7947 0.7947 1.7396 1.7396 1.7927 1.7927 3.3361 3.3361 3.3547 3.3547 3.4626 3.4626 3.5195 3.5195 3.6964 3.6964 3.7356 3.7356 4.3914 4.3914 4.5328 4.5328 4.7519 4.7519 5.0570 5.0570 10.8254 10.8254 10.9021 10.9021 14.6591 14.6591 14.9012 14.9012 k = 0.0000 0.1443 0.4979 ( 2759 PWs) bands (ev): -18.1642 -18.1642 -18.1399 -18.1399 -17.7155 -17.7155 -17.6709 -17.6709 -1.4711 -1.4711 -1.3446 -1.3446 -0.6871 -0.6871 -0.6217 -0.6217 -0.0673 -0.0673 0.0009 0.0009 0.1376 0.1376 0.3374 0.3374 0.6410 0.6410 0.7996 0.7996 1.7370 1.7370 1.7941 1.7941 3.3325 3.3325 3.3490 3.3490 3.4674 3.4674 3.5249 3.5249 3.6952 3.6952 3.7382 3.7382 4.3750 4.3750 4.5289 4.5289 4.7353 4.7353 5.0701 5.0701 10.8585 10.8585 10.9425 10.9425 14.6726 14.6726 14.9478 14.9478 k = 0.0000 0.1587 0.4979 ( 2765 PWs) bands (ev): -18.1616 -18.1616 -18.1351 -18.1351 -17.7191 -17.7191 -17.6698 -17.6698 -1.4686 -1.4686 -1.3290 -1.3290 -0.6990 -0.6990 -0.6382 -0.6382 -0.0775 -0.0775 0.0040 0.0040 0.1273 0.1273 0.3165 0.3165 0.6588 0.6588 0.8040 0.8040 1.7340 1.7340 1.7948 1.7948 3.3290 3.3290 3.3435 3.3435 3.4722 3.4722 3.5298 3.5298 3.6940 3.6940 3.7410 3.7410 4.3577 4.3577 4.5215 4.5215 4.7217 4.7217 5.0831 5.0831 10.8953 10.8953 10.9861 10.9861 14.6874 14.6874 14.9977 14.9977 k = 0.0000 0.1731 0.4979 ( 2765 PWs) bands (ev): -18.1586 -18.1586 -18.1300 -18.1300 -17.7229 -17.7229 -17.6687 -17.6687 -1.4654 -1.4654 -1.3126 -1.3126 -0.7106 -0.7106 -0.6567 -0.6567 -0.0896 -0.0896 0.0057 0.0057 0.1195 0.1195 0.2940 0.2940 0.6794 0.6794 0.8081 0.8081 1.7307 1.7307 1.7946 1.7946 3.3256 3.3256 3.3381 3.3381 3.4770 3.4770 3.5340 3.5340 3.6931 3.6931 3.7437 3.7437 4.3395 4.3395 4.5102 4.5102 4.7116 4.7116 5.0962 5.0962 10.9355 10.9355 11.0329 11.0329 14.7032 14.7032 15.0509 15.0509 k = 0.0000 0.1876 0.4979 ( 2768 PWs) bands (ev): -18.1554 -18.1554 -18.1246 -18.1246 -17.7268 -17.7268 -17.6678 -17.6678 -1.4618 -1.4618 -1.2956 -1.2956 -0.7219 -0.7219 -0.6769 -0.6769 -0.1039 -0.1039 0.0053 0.0053 0.1147 0.1147 0.2708 0.2708 0.7018 0.7018 0.8119 0.8119 1.7268 1.7268 1.7936 1.7936 3.3219 3.3219 3.3331 3.3331 3.4815 3.4815 3.5374 3.5374 3.6922 3.6922 3.7465 3.7465 4.3206 4.3206 4.4945 4.4945 4.7055 4.7055 5.1093 5.1093 10.9792 10.9792 11.0826 11.0826 14.7196 14.7196 15.1071 15.1071 k = 0.0000 0.2020 0.4979 ( 2770 PWs) bands (ev): -18.1518 -18.1518 -18.1189 -18.1189 -17.7310 -17.7310 -17.6669 -17.6669 -1.4578 -1.4578 -1.2779 -1.2779 -0.7328 -0.7328 -0.6986 -0.6986 -0.1205 -0.1205 0.0023 0.0023 0.1133 0.1133 0.2480 0.2480 0.7256 0.7256 0.8156 0.8156 1.7224 1.7224 1.7917 1.7917 3.3178 3.3178 3.3285 3.3285 3.4858 3.4858 3.5402 3.5402 3.6915 3.6915 3.7494 3.7494 4.3009 4.3009 4.4750 4.4750 4.7031 4.7031 5.1227 5.1227 11.0260 11.0260 11.1352 11.1352 14.7360 14.7360 15.1663 15.1663 k = 0.0000 0.2164 0.4979 ( 2769 PWs) bands (ev): -18.1478 -18.1478 -18.1130 -18.1130 -17.7353 -17.7353 -17.6661 -17.6661 -1.4535 -1.4535 -1.2597 -1.2597 -0.7433 -0.7433 -0.7215 -0.7215 -0.1394 -0.1394 -0.0032 -0.0032 0.1152 0.1152 0.2259 0.2259 0.7504 0.7504 0.8193 0.8193 1.7174 1.7174 1.7888 1.7888 3.3132 3.3132 3.3246 3.3246 3.4899 3.4899 3.5421 3.5421 3.6910 3.6910 3.7523 3.7523 4.2807 4.2807 4.4522 4.4522 4.7039 4.7039 5.1362 5.1362 11.0760 11.0760 11.1906 11.1906 14.7522 14.7522 15.2283 15.2283 k = 0.0000 0.2309 0.4979 ( 2775 PWs) bands (ev): -18.1436 -18.1436 -18.1068 -18.1068 -17.7398 -17.7398 -17.6654 -17.6654 -1.4490 -1.4490 -1.2411 -1.2411 -0.7537 -0.7537 -0.7449 -0.7449 -0.1606 -0.1606 -0.0110 -0.0110 0.1199 0.1199 0.2051 0.2051 0.7756 0.7756 0.8235 0.8235 1.7118 1.7118 1.7850 1.7850 3.3079 3.3079 3.3212 3.3212 3.4935 3.4935 3.5434 3.5434 3.6907 3.6907 3.7554 3.7554 4.2600 4.2600 4.4268 4.4268 4.7073 4.7073 5.1498 5.1498 11.1290 11.1290 11.2485 11.2485 14.7676 14.7676 15.2927 15.2927 k = 0.0000 0.2453 0.4979 ( 2771 PWs) bands (ev): -18.1390 -18.1390 -18.1005 -18.1005 -17.7444 -17.7444 -17.6647 -17.6647 -1.4446 -1.4446 -1.2220 -1.2220 -0.7710 -0.7710 -0.7613 -0.7613 -0.1841 -0.1841 -0.0204 -0.0204 0.1269 0.1269 0.1858 0.1858 0.8001 0.8001 0.8290 0.8290 1.7056 1.7056 1.7803 1.7803 3.3021 3.3021 3.3181 3.3181 3.4967 3.4967 3.5440 3.5440 3.6906 3.6906 3.7585 3.7585 4.2390 4.2390 4.3995 4.3995 4.7127 4.7127 5.1637 5.1637 11.1848 11.1848 11.3090 11.3090 14.7817 14.7817 15.3595 15.3595 k = 0.0000 0.2597 0.4979 ( 2773 PWs) bands (ev): -18.1342 -18.1342 -18.0939 -18.0939 -17.7493 -17.7493 -17.6642 -17.6642 -1.4403 -1.4403 -1.2027 -1.2027 -0.7954 -0.7954 -0.7703 -0.7703 -0.2096 -0.2096 -0.0311 -0.0311 0.1352 0.1352 0.1682 0.1682 0.8187 0.8187 0.8409 0.8409 1.6987 1.6987 1.7746 1.7746 3.2959 3.2959 3.3152 3.3152 3.4994 3.4994 3.5439 3.5439 3.6907 3.6907 3.7619 3.7619 4.2177 4.2177 4.3708 4.3708 4.7197 4.7197 5.1778 5.1778 11.2433 11.2433 11.3718 11.3718 14.7941 14.7941 15.4284 15.4284 k = 0.0000 0.2741 0.4979 ( 2771 PWs) bands (ev): -18.1291 -18.1291 -18.0871 -18.0871 -17.7544 -17.7544 -17.6637 -17.6637 -1.4364 -1.4364 -1.1833 -1.1833 -0.8200 -0.8200 -0.7782 -0.7782 -0.2367 -0.2367 -0.0425 -0.0425 0.1426 0.1426 0.1542 0.1542 0.8270 0.8270 0.8635 0.8635 1.6914 1.6914 1.7681 1.7681 3.2893 3.2893 3.3122 3.3122 3.5014 3.5014 3.5432 3.5432 3.6911 3.6911 3.7654 3.7654 4.1963 4.1963 4.3412 4.3412 4.7278 4.7278 5.1920 5.1920 11.3044 11.3044 11.4368 11.4368 14.8041 14.8041 15.4991 15.4991 k = 0.0000 0.2886 0.4979 ( 2769 PWs) bands (ev): -18.1237 -18.1237 -18.0802 -18.0802 -17.7597 -17.7597 -17.6633 -17.6633 -1.4331 -1.4331 -1.1638 -1.1638 -0.8443 -0.8443 -0.7852 -0.7852 -0.2652 -0.2652 -0.0544 -0.0544 0.1345 0.1345 0.1579 0.1579 0.8315 0.8315 0.8901 0.8901 1.6835 1.6835 1.7607 1.7607 3.2824 3.2824 3.3092 3.3092 3.5025 3.5025 3.5420 3.5420 3.6918 3.6918 3.7691 3.7691 4.1749 4.1749 4.3110 4.3110 4.7369 4.7369 5.2065 5.2065 11.3678 11.3678 11.5040 11.5040 14.8114 14.8114 15.5712 15.5712 k = 0.0000 0.3030 0.4979 ( 2769 PWs) bands (ev): -18.1180 -18.1180 -18.0731 -18.0731 -17.7651 -17.7651 -17.6629 -17.6629 -1.4307 -1.4307 -1.1444 -1.1444 -0.8677 -0.8677 -0.7913 -0.7913 -0.2946 -0.2946 -0.0667 -0.0667 0.1212 0.1212 0.1687 0.1687 0.8350 0.8350 0.9178 0.9178 1.6752 1.6752 1.7524 1.7524 3.2751 3.2751 3.3060 3.3060 3.5027 3.5027 3.5405 3.5405 3.6928 3.6928 3.7730 3.7730 4.1536 4.1536 4.2805 4.2805 4.7467 4.7467 5.2210 5.2210 11.4334 11.4334 11.5732 11.5732 14.8154 14.8154 15.6443 15.6443 k = 0.0000 0.3174 0.4979 ( 2769 PWs) bands (ev): -18.1121 -18.1121 -18.0658 -18.0658 -17.7708 -17.7708 -17.6626 -17.6626 -1.4294 -1.4294 -1.1253 -1.1253 -0.8898 -0.8898 -0.7966 -0.7966 -0.3244 -0.3244 -0.0792 -0.0792 0.1086 0.1086 0.1804 0.1804 0.8380 0.8380 0.9460 0.9460 1.6665 1.6665 1.7434 1.7434 3.2674 3.2674 3.3026 3.3026 3.5018 3.5018 3.5387 3.5387 3.6942 3.6942 3.7771 3.7771 4.1326 4.1326 4.2500 4.2500 4.7569 4.7569 5.2357 5.2357 11.5011 11.5011 11.6443 11.6443 14.8156 14.8156 15.7181 15.7181 k = 0.0000 0.3319 0.4979 ( 2770 PWs) bands (ev): -18.1060 -18.1060 -18.0585 -18.0585 -17.7767 -17.7767 -17.6624 -17.6624 -1.4296 -1.4296 -1.1066 -1.1066 -0.9103 -0.9103 -0.8010 -0.8010 -0.3543 -0.3543 -0.0919 -0.0919 0.0967 0.0967 0.1926 0.1926 0.8404 0.8404 0.9744 0.9744 1.6576 1.6576 1.7337 1.7337 3.2593 3.2593 3.2990 3.2990 3.4996 3.4996 3.5368 3.5368 3.6959 3.6959 3.7814 3.7814 4.1120 4.1120 4.2197 4.2197 4.7675 4.7675 5.2505 5.2505 11.5708 11.5708 11.7171 11.7171 14.8116 14.8116 15.7920 15.7920 k = 0.0000 0.3463 0.4979 ( 2772 PWs) bands (ev): -18.0997 -18.0997 -18.0510 -18.0510 -17.7828 -17.7828 -17.6623 -17.6623 -1.4316 -1.4316 -1.0886 -1.0886 -0.9287 -0.9287 -0.8045 -0.8045 -0.3837 -0.3837 -0.1046 -0.1046 0.0855 0.0855 0.2052 0.2052 0.8423 0.8423 1.0030 1.0030 1.6484 1.6484 1.7234 1.7234 3.2509 3.2509 3.2952 3.2952 3.4962 3.4962 3.5347 3.5347 3.6981 3.6981 3.7859 3.7859 4.0918 4.0918 4.1897 4.1897 4.7783 4.7783 5.2653 5.2653 11.6421 11.6421 11.7916 11.7916 14.8030 14.8030 15.8652 15.8652 k = 0.0000 0.3607 0.4979 ( 2774 PWs) bands (ev): -18.0931 -18.0931 -18.0435 -18.0435 -17.7892 -17.7892 -17.6622 -17.6622 -1.4356 -1.4356 -1.0715 -1.0715 -0.9445 -0.9445 -0.8071 -0.8071 -0.4124 -0.4124 -0.1174 -0.1174 0.0750 0.0750 0.2181 0.2181 0.8436 0.8436 1.0317 1.0317 1.6391 1.6391 1.7125 1.7125 3.2421 3.2421 3.2911 3.2911 3.4917 3.4917 3.5324 3.5324 3.7006 3.7006 3.7905 3.7905 4.0722 4.0722 4.1603 4.1603 4.7892 4.7892 5.2801 5.2801 11.7150 11.7150 11.8677 11.8677 14.7895 14.7895 15.9366 15.9366 k = 0.0000 0.3751 0.4979 ( 2770 PWs) bands (ev): -18.0864 -18.0864 -18.0359 -18.0359 -17.7957 -17.7957 -17.6622 -17.6622 -1.4418 -1.4418 -1.0553 -1.0553 -0.9576 -0.9576 -0.8090 -0.8090 -0.4398 -0.4398 -0.1302 -0.1302 0.0651 0.0651 0.2311 0.2311 0.8442 0.8442 1.0604 1.0604 1.6298 1.6298 1.7012 1.7012 3.2329 3.2329 3.2869 3.2869 3.4861 3.4861 3.5299 3.5299 3.7036 3.7036 3.7953 3.7953 4.0534 4.0534 4.1315 4.1315 4.8000 4.8000 5.2949 5.2949 11.7894 11.7894 11.9453 11.9453 14.7708 14.7708 16.0046 16.0046 k = 0.0000 0.3896 0.4979 ( 2766 PWs) bands (ev): -18.0795 -18.0795 -18.0283 -18.0283 -17.8025 -17.8025 -17.6623 -17.6623 -1.4503 -1.4503 -1.0403 -1.0403 -0.9678 -0.9678 -0.8103 -0.8103 -0.4656 -0.4656 -0.1429 -0.1429 0.0558 0.0558 0.2444 0.2444 0.8439 0.8439 1.0891 1.0891 1.6206 1.6206 1.6895 1.6895 3.2234 3.2234 3.2824 3.2824 3.4797 3.4797 3.5271 3.5271 3.7069 3.7069 3.8002 3.8002 4.0354 4.0354 4.1035 4.1035 4.8107 4.8107 5.3097 5.3097 11.8649 11.8649 12.0242 12.0242 14.7469 14.7469 16.0666 16.0666 k = 0.0000 0.4040 0.4979 ( 2768 PWs) bands (ev): -18.0724 -18.0724 -18.0206 -18.0206 -17.8095 -17.8095 -17.6624 -17.6624 -1.4612 -1.4612 -1.0267 -1.0267 -0.9750 -0.9750 -0.8113 -0.8113 -0.4891 -0.4891 -0.1555 -0.1555 0.0470 0.0470 0.2579 0.2579 0.8427 0.8427 1.1176 1.1176 1.6115 1.6115 1.6774 1.6774 3.2135 3.2135 3.2777 3.2777 3.4725 3.4725 3.5239 3.5239 3.7104 3.7104 3.8051 3.8051 4.0182 4.0182 4.0765 4.0765 4.8212 4.8212 5.3243 5.3243 11.9414 11.9414 12.1045 12.1045 14.7175 14.7175 16.1185 16.1185 k = 0.0000 0.4184 0.4979 ( 2770 PWs) bands (ev): -18.0652 -18.0652 -18.0130 -18.0130 -17.8167 -17.8167 -17.6626 -17.6626 -1.4742 -1.4742 -1.0145 -1.0145 -0.9793 -0.9793 -0.8124 -0.8124 -0.5101 -0.5101 -0.1680 -0.1680 0.0388 0.0388 0.2715 0.2715 0.8405 0.8405 1.1458 1.1458 1.6026 1.6026 1.6652 1.6652 3.2032 3.2032 3.2728 3.2728 3.4649 3.4649 3.5203 3.5203 3.7142 3.7142 3.8099 3.8099 4.0021 4.0021 4.0506 4.0506 4.8314 4.8314 5.3388 5.3388 12.0187 12.0187 12.1859 12.1859 14.6829 14.6829 16.1535 16.1535 k = 0.0000 0.4329 0.4979 ( 2770 PWs) bands (ev): -18.0578 -18.0578 -18.0053 -18.0053 -17.8241 -17.8241 -17.6629 -17.6629 -1.4892 -1.4892 -1.0037 -1.0037 -0.9809 -0.9809 -0.8139 -0.8139 -0.5279 -0.5279 -0.1804 -0.1804 0.0312 0.0312 0.2851 0.2851 0.8372 0.8372 1.1738 1.1738 1.5940 1.5940 1.6530 1.6530 3.1927 3.1927 3.2677 3.2677 3.4569 3.4569 3.5163 3.5163 3.7181 3.7181 3.8146 3.8146 3.9870 3.9870 4.0258 4.0258 4.8411 4.8411 5.3531 5.3531 12.0965 12.0965 12.2685 12.2685 14.6432 14.6432 16.1635 16.1635 k = 0.0000 0.4473 0.4979 ( 2772 PWs) bands (ev): -18.0503 -18.0503 -17.9978 -17.9978 -17.8317 -17.8317 -17.6632 -17.6632 -1.5058 -1.5058 -0.9944 -0.9944 -0.9800 -0.9800 -0.8163 -0.8163 -0.5423 -0.5423 -0.1925 -0.1925 0.0243 0.0243 0.2989 0.2989 0.8327 0.8327 1.2013 1.2013 1.5858 1.5858 1.6408 1.6408 3.1818 3.1818 3.2625 3.2625 3.4487 3.4487 3.5119 3.5119 3.7220 3.7220 3.8190 3.8190 3.9732 3.9732 4.0023 4.0023 4.8504 4.8504 5.3672 5.3672 12.1747 12.1747 12.3521 12.3521 14.5985 14.5985 16.1444 16.1444 k = 0.0000 0.4617 0.4979 ( 2768 PWs) bands (ev): -18.0428 -18.0428 -17.9903 -17.9903 -17.8396 -17.8396 -17.6635 -17.6635 -1.5237 -1.5237 -0.9866 -0.9866 -0.9770 -0.9770 -0.8199 -0.8199 -0.5530 -0.5530 -0.2043 -0.2043 0.0181 0.0181 0.3127 0.3127 0.8272 0.8272 1.2283 1.2283 1.5780 1.5780 1.6289 1.6289 3.1707 3.1707 3.2572 3.2572 3.4404 3.4404 3.5073 3.5073 3.7259 3.7259 3.8231 3.8231 3.9605 3.9605 3.9804 3.9804 4.8592 4.8592 5.3811 5.3811 12.2528 12.2528 12.4367 12.4367 14.5494 14.5494 16.1000 16.1000 k = 0.0000 0.4761 0.4979 ( 2771 PWs) bands (ev): -18.0351 -18.0351 -17.9828 -17.9828 -17.8476 -17.8476 -17.6639 -17.6639 -1.5424 -1.5424 -0.9800 -0.9800 -0.9724 -0.9724 -0.8247 -0.8247 -0.5601 -0.5601 -0.2158 -0.2158 0.0126 0.0126 0.3264 0.3264 0.8204 0.8204 1.2546 1.2546 1.5705 1.5705 1.6174 1.6174 3.1594 3.1594 3.2519 3.2519 3.4321 3.4321 3.5023 3.5023 3.7297 3.7297 3.8266 3.8266 3.9487 3.9487 3.9603 3.9603 4.8674 4.8674 5.3946 5.3946 12.3306 12.3306 12.5222 12.5222 14.4961 14.4961 16.0386 16.0386 k = 0.0000 0.4906 0.4979 ( 2774 PWs) bands (ev): -18.0274 -18.0274 -17.9755 -17.9755 -17.8559 -17.8559 -17.6643 -17.6643 -1.5618 -1.5618 -0.9744 -0.9744 -0.9668 -0.9668 -0.8308 -0.8308 -0.5638 -0.5638 -0.2268 -0.2268 0.0081 0.0081 0.3401 0.3401 0.8125 0.8125 1.2800 1.2800 1.5634 1.5634 1.6065 1.6065 3.1478 3.1478 3.2465 3.2465 3.4239 3.4239 3.4971 3.4971 3.7332 3.7332 3.8295 3.8295 3.9361 3.9361 3.9442 3.9442 4.8750 4.8750 5.4079 5.4079 12.4077 12.4077 12.6085 12.6085 14.4394 14.4394 15.9670 15.9670 k = 0.0000 0.5050 0.4979 ( 2779 PWs) bands (ev): -18.0196 -18.0196 -17.9684 -17.9684 -17.8644 -17.8644 -17.6648 -17.6648 -1.5814 -1.5814 -0.9697 -0.9697 -0.9604 -0.9604 -0.8376 -0.8376 -0.5647 -0.5647 -0.2374 -0.2374 0.0046 0.0046 0.3536 0.3536 0.8035 0.8035 1.3043 1.3043 1.5567 1.5567 1.5967 1.5967 3.1361 3.1361 3.2411 3.2411 3.4160 3.4160 3.4918 3.4918 3.7365 3.7365 3.8317 3.8317 3.9207 3.9207 3.9342 3.9342 4.8818 4.8818 5.4208 5.4208 12.4835 12.4835 12.6955 12.6955 14.3799 14.3799 15.8896 15.8896 k = 0.0000 0.5194 0.4979 ( 2777 PWs) bands (ev): -18.0118 -18.0118 -17.9613 -17.9613 -17.8730 -17.8730 -17.6653 -17.6653 -1.6010 -1.6010 -0.9661 -0.9661 -0.9535 -0.9535 -0.8446 -0.8446 -0.5635 -0.5635 -0.2473 -0.2473 0.0021 0.0021 0.3669 0.3669 0.7935 0.7935 1.3271 1.3271 1.5504 1.5504 1.5882 1.5882 3.1243 3.1243 3.2358 3.2358 3.4083 3.4083 3.4865 3.4865 3.7393 3.7393 3.8328 3.8328 3.9055 3.9055 3.9274 3.9274 4.8879 4.8879 5.4333 5.4333 12.5574 12.5574 12.7833 12.7833 14.3185 14.3185 15.8091 15.8091 k = 0.0000 0.5339 0.4979 ( 2778 PWs) bands (ev): -18.0041 -18.0041 -17.9545 -17.9545 -17.8818 -17.8818 -17.6658 -17.6658 -1.6203 -1.6203 -0.9638 -0.9638 -0.9462 -0.9462 -0.8512 -0.8512 -0.5608 -0.5608 -0.2565 -0.2565 0.0008 0.0008 0.3799 0.3799 0.7826 0.7826 1.3479 1.3479 1.5443 1.5443 1.5816 1.5816 3.1124 3.1124 3.2306 3.2306 3.4011 3.4011 3.4812 3.4812 3.7417 3.7417 3.8329 3.8329 3.8921 3.8921 3.9226 3.9226 4.8933 4.8933 5.4455 5.4455 12.6287 12.6287 12.8717 12.8717 14.2562 14.2562 15.7269 15.7269 k = 0.0000 0.5483 0.4979 ( 2778 PWs) bands (ev): -17.9963 -17.9963 -17.9478 -17.9478 -17.8908 -17.8908 -17.6663 -17.6663 -1.6391 -1.6391 -0.9628 -0.9628 -0.9388 -0.9388 -0.8569 -0.8569 -0.5572 -0.5572 -0.2648 -0.2648 0.0006 0.0006 0.3924 0.3924 0.7711 0.7711 1.3662 1.3662 1.5385 1.5385 1.5773 1.5773 3.1005 3.1005 3.2255 3.2255 3.3942 3.3942 3.4760 3.4760 3.7437 3.7437 3.8318 3.8318 3.8807 3.8807 3.9194 3.9194 4.8979 4.8979 5.4572 5.4572 12.6962 12.6962 12.9605 12.9605 14.1943 14.1943 15.6441 15.6441 k = 0.0000 0.5627 0.4979 ( 2772 PWs) bands (ev): -17.9886 -17.9886 -17.9414 -17.9414 -17.8998 -17.8998 -17.6669 -17.6669 -1.6573 -1.6573 -0.9628 -0.9628 -0.9317 -0.9317 -0.8614 -0.8614 -0.5532 -0.5532 -0.2723 -0.2723 0.0017 0.0017 0.4043 0.4043 0.7590 0.7590 1.3815 1.3815 1.5330 1.5330 1.5761 1.5761 3.0887 3.0887 3.2206 3.2206 3.3879 3.3879 3.4711 3.4711 3.7452 3.7452 3.8296 3.8296 3.8715 3.8715 3.9176 3.9176 4.9016 4.9016 5.4684 5.4684 12.7585 12.7585 13.0499 13.0499 14.1344 14.1344 15.5613 15.5613 k = 0.0000 0.5771 0.4979 ( 2770 PWs) bands (ev): -17.9811 -17.9811 -17.9353 -17.9353 -17.9089 -17.9089 -17.6674 -17.6674 -1.6747 -1.6747 -0.9638 -0.9638 -0.9251 -0.9251 -0.8644 -0.8644 -0.5492 -0.5492 -0.2786 -0.2786 0.0040 0.0040 0.4153 0.4153 0.7467 0.7467 1.3933 1.3933 1.5278 1.5278 1.5783 1.5783 3.0769 3.0769 3.2160 3.2160 3.3821 3.3821 3.4664 3.4664 3.7462 3.7462 3.8265 3.8265 3.8646 3.8646 3.9168 3.9168 4.9044 4.9044 5.4792 5.4792 12.8139 12.8139 13.1395 13.1395 14.0785 14.0785 15.4790 15.4790 k = 0.0000 0.5916 0.4979 ( 2766 PWs) bands (ev): -17.9740 -17.9740 -17.9295 -17.9295 -17.9177 -17.9177 -17.6679 -17.6679 -1.6912 -1.6912 -0.9655 -0.9655 -0.9192 -0.9192 -0.8659 -0.8659 -0.5456 -0.5456 -0.2838 -0.2838 0.0074 0.0074 0.4254 0.4254 0.7344 0.7344 1.4013 1.4013 1.5227 1.5227 1.5843 1.5843 3.0653 3.0653 3.2116 3.2116 3.3769 3.3769 3.4620 3.4620 3.7468 3.7468 3.8229 3.8229 3.8597 3.8597 3.9168 3.9168 4.9064 4.9064 5.4895 5.4895 12.8600 12.8600 13.2294 13.2294 14.0292 14.0292 15.3974 15.3974 k = 0.0000 0.6060 0.4979 ( 2766 PWs) bands (ev): -17.9676 -17.9676 -17.9270 -17.9270 -17.9229 -17.9229 -17.6684 -17.6684 -1.7068 -1.7068 -0.9676 -0.9676 -0.9143 -0.9143 -0.8662 -0.8662 -0.5425 -0.5425 -0.2878 -0.2878 0.0119 0.0119 0.4341 0.4341 0.7224 0.7224 1.4059 1.4059 1.5178 1.5178 1.5936 1.5936 3.0540 3.0540 3.2075 3.2075 3.3723 3.3723 3.4580 3.4580 3.7471 3.7471 3.8193 3.8193 3.8564 3.8564 3.9173 3.9173 4.9074 4.9074 5.4993 5.4993 12.8941 12.8941 13.3192 13.3192 13.9893 13.9893 15.3169 15.3169 k = 0.0000 0.6204 0.4979 ( 2767 PWs) bands (ev): -17.9630 -17.9630 -17.9332 -17.9332 -17.9181 -17.9181 -17.6689 -17.6689 -1.7212 -1.7212 -0.9696 -0.9696 -0.9104 -0.9104 -0.8653 -0.8653 -0.5399 -0.5399 -0.2904 -0.2904 0.0173 0.0173 0.4413 0.4413 0.7110 0.7110 1.4078 1.4078 1.5131 1.5131 1.6056 1.6056 3.0429 3.0429 3.2038 3.2038 3.3682 3.3682 3.4544 3.4544 3.7472 3.7472 3.8163 3.8163 3.8543 3.8543 3.9181 3.9181 4.9075 4.9075 5.5086 5.5086 12.9134 12.9134 13.4089 13.4089 13.9619 13.9619 15.2377 15.2377 k = 0.0000 0.6349 0.4979 ( 2771 PWs) bands (ev): -17.9629 -17.9629 -17.9357 -17.9357 -17.9132 -17.9132 -17.6693 -17.6693 -1.7345 -1.7345 -0.9712 -0.9712 -0.9077 -0.9077 -0.8636 -0.8636 -0.5380 -0.5380 -0.2917 -0.2917 0.0236 0.0236 0.4465 0.4465 0.7007 0.7007 1.4077 1.4077 1.5084 1.5084 1.6196 1.6196 3.0323 3.0323 3.2004 3.2004 3.3648 3.3648 3.4513 3.4513 3.7471 3.7471 3.8141 3.8141 3.8530 3.8530 3.9191 3.9191 4.9066 4.9066 5.5173 5.5173 12.9154 12.9154 13.4981 13.4981 13.9493 13.9493 15.1603 15.1603 k = 0.0000 0.6349 0.4979 ( 2771 PWs) bands (ev): -17.9629 -17.9629 -17.9357 -17.9357 -17.9132 -17.9132 -17.6693 -17.6693 -1.7345 -1.7345 -0.9712 -0.9712 -0.9077 -0.9077 -0.8636 -0.8636 -0.5380 -0.5380 -0.2917 -0.2917 0.0236 0.0236 0.4465 0.4465 0.7007 0.7007 1.4077 1.4077 1.5084 1.5084 1.6196 1.6196 3.0323 3.0323 3.2004 3.2004 3.3648 3.3648 3.4513 3.4513 3.7471 3.7471 3.8141 3.8141 3.8530 3.8530 3.9191 3.9191 4.9066 4.9066 5.5173 5.5173 12.9154 12.9154 13.4981 13.4981 13.9493 13.9493 15.1603 15.1603 k = 0.0000 0.6418 0.4865 ( 2771 PWs) bands (ev): -17.9652 -17.9652 -17.9374 -17.9374 -17.9079 -17.9079 -17.6696 -17.6696 -1.7503 -1.7503 -0.9704 -0.9704 -0.9022 -0.9022 -0.8446 -0.8446 -0.5622 -0.5622 -0.2941 -0.2941 0.0337 0.0337 0.4449 0.4449 0.6917 0.6917 1.4065 1.4065 1.5123 1.5123 1.6495 1.6495 3.0138 3.0138 3.1921 3.1921 3.3619 3.3619 3.4485 3.4485 3.7462 3.7462 3.8123 3.8123 3.8523 3.8523 3.9203 3.9203 4.9102 4.9102 5.5345 5.5345 12.9030 12.9030 13.6010 13.6010 13.9346 13.9346 15.0562 15.0562 k = 0.0000 0.6488 0.4751 ( 2775 PWs) bands (ev): -17.9671 -17.9671 -17.9388 -17.9388 -17.9033 -17.9033 -17.6699 -17.6699 -1.7637 -1.7637 -0.9708 -0.9708 -0.8974 -0.8974 -0.8239 -0.8239 -0.5865 -0.5865 -0.2962 -0.2962 0.0427 0.0427 0.4436 0.4436 0.6840 0.6840 1.4047 1.4047 1.5157 1.5157 1.6763 1.6763 2.9972 2.9972 3.1849 3.1849 3.3594 3.3594 3.4461 3.4461 3.7451 3.7451 3.8108 3.8108 3.8517 3.8517 3.9215 3.9215 4.9132 4.9132 5.5492 5.5492 12.8924 12.8924 13.7017 13.7017 13.9219 13.9219 14.9544 14.9544 k = 0.0000 0.6558 0.4637 ( 2773 PWs) bands (ev): -17.9687 -17.9687 -17.9400 -17.9400 -17.8996 -17.8996 -17.6702 -17.6702 -1.7746 -1.7746 -0.9716 -0.9716 -0.8935 -0.8935 -0.8021 -0.8021 -0.6109 -0.6109 -0.2979 -0.2979 0.0505 0.0505 0.4425 0.4425 0.6775 0.6775 1.4028 1.4028 1.5186 1.5186 1.6993 1.6993 2.9830 2.9830 3.1788 3.1788 3.3573 3.3573 3.4442 3.4442 3.7441 3.7441 3.8097 3.8097 3.8514 3.8514 3.9226 3.9226 4.9157 4.9157 5.5613 5.5613 12.8838 12.8838 13.7985 13.7985 13.9116 13.9116 14.8564 14.8564 k = 0.0000 0.6628 0.4522 ( 2780 PWs) bands (ev): -17.9699 -17.9699 -17.9409 -17.9409 -17.8966 -17.8966 -17.6705 -17.6705 -1.7832 -1.7832 -0.9725 -0.9725 -0.8905 -0.8905 -0.7797 -0.7797 -0.6352 -0.6352 -0.2992 -0.2992 0.0567 0.0567 0.4417 0.4417 0.6723 0.6723 1.4010 1.4010 1.5210 1.5210 1.7179 1.7179 2.9714 2.9714 3.1740 3.1740 3.3556 3.3556 3.4427 3.4427 3.7433 3.7433 3.8087 3.8087 3.8511 3.8511 3.9236 3.9236 4.9176 4.9176 5.5708 5.5708 12.8770 12.8770 13.8881 13.8881 13.9042 13.9042 14.7652 14.7652 k = 0.0000 0.6698 0.4408 ( 2782 PWs) bands (ev): -17.9708 -17.9708 -17.9416 -17.9416 -17.8945 -17.8945 -17.6707 -17.6707 -1.7894 -1.7894 -0.9732 -0.9732 -0.8882 -0.8882 -0.7569 -0.7569 -0.6593 -0.6593 -0.3001 -0.3001 0.0613 0.0613 0.4411 0.4411 0.6686 0.6686 1.3996 1.3996 1.5227 1.5227 1.7315 1.7315 2.9629 2.9629 3.1705 3.1705 3.3544 3.3544 3.4416 3.4416 3.7426 3.7426 3.8081 3.8081 3.8509 3.8509 3.9243 3.9243 4.9190 4.9190 5.5776 5.5776 12.8721 12.8721 13.8972 13.8972 13.9677 13.9677 14.6860 14.6860 k = 0.0000 0.6768 0.4294 ( 2780 PWs) bands (ev): -17.9714 -17.9714 -17.9420 -17.9420 -17.8932 -17.8932 -17.6708 -17.6708 -1.7930 -1.7930 -0.9737 -0.9737 -0.8869 -0.8869 -0.7344 -0.7344 -0.6826 -0.6826 -0.3007 -0.3007 0.0642 0.0642 0.4408 0.4408 0.6664 0.6664 1.3987 1.3987 1.5237 1.5237 1.7398 1.7398 2.9577 2.9577 3.1684 3.1684 3.3537 3.3537 3.4409 3.4409 3.7422 3.7422 3.8078 3.8078 3.8509 3.8509 3.9247 3.9247 4.9199 4.9199 5.5817 5.5817 12.8692 12.8692 13.8938 13.8938 14.0244 14.0244 14.6288 14.6288 k = 0.0000 0.6837 0.4180 ( 2778 PWs) bands (ev): -17.9715 -17.9715 -17.9421 -17.9421 -17.8927 -17.8927 -17.6708 -17.6708 -1.7943 -1.7943 -0.9739 -0.9739 -0.8864 -0.8864 -0.7184 -0.7184 -0.6988 -0.6988 -0.3009 -0.3009 0.0651 0.0651 0.4406 0.4406 0.6656 0.6656 1.3984 1.3984 1.5241 1.5241 1.7426 1.7426 2.9559 2.9559 3.1676 3.1676 3.3534 3.3534 3.4407 3.4407 3.7420 3.7420 3.8076 3.8076 3.8509 3.8509 3.9249 3.9249 4.9202 4.9202 5.5830 5.5830 12.8682 12.8682 13.8926 13.8926 14.0460 14.0460 14.6071 14.6071 k = 0.0000 0.6837 0.4180 ( 2778 PWs) bands (ev): -17.9715 -17.9715 -17.9421 -17.9421 -17.8927 -17.8927 -17.6708 -17.6708 -1.7943 -1.7943 -0.9739 -0.9739 -0.8864 -0.8864 -0.7184 -0.7184 -0.6988 -0.6988 -0.3009 -0.3009 0.0651 0.0651 0.4406 0.4406 0.6656 0.6656 1.3984 1.3984 1.5241 1.5241 1.7426 1.7426 2.9559 2.9559 3.1676 3.1676 3.3534 3.3534 3.4407 3.4407 3.7420 3.7420 3.8076 3.8076 3.8509 3.8509 3.9249 3.9249 4.9202 4.9202 5.5830 5.5830 12.8682 12.8682 13.8926 13.8926 14.0460 14.0460 14.6071 14.6071 k = 0.0143 0.6837 0.4180 ( 2778 PWs) bands (ev): -17.9717 -17.9717 -17.9422 -17.9422 -17.8925 -17.8925 -17.6709 -17.6709 -1.7948 -1.7948 -0.9756 -0.9756 -0.8919 -0.8919 -0.7198 -0.7198 -0.6925 -0.6925 -0.2999 -0.2999 0.0655 0.0655 0.4402 0.4402 0.6665 0.6665 1.3990 1.3990 1.5246 1.5246 1.7429 1.7429 2.9564 2.9564 3.1681 3.1681 3.3536 3.3536 3.4408 3.4408 3.7421 3.7421 3.8079 3.8079 3.8509 3.8509 3.9246 3.9246 4.9198 4.9198 5.5822 5.5822 12.8681 12.8681 13.8890 13.8890 14.0499 14.0499 14.6084 14.6084 k = 0.0286 0.6837 0.4180 ( 2782 PWs) bands (ev): -17.9720 -17.9720 -17.9423 -17.9423 -17.8917 -17.8917 -17.6711 -17.6711 -1.7963 -1.7963 -0.9817 -0.9817 -0.9050 -0.9050 -0.7236 -0.7236 -0.6759 -0.6759 -0.2970 -0.2970 0.0667 0.0667 0.4387 0.4387 0.6693 0.6693 1.4007 1.4007 1.5263 1.5263 1.7438 1.7438 2.9579 2.9579 3.1696 3.1696 3.3540 3.3540 3.4409 3.4409 3.7424 3.7424 3.8089 3.8089 3.8510 3.8510 3.9238 3.9238 4.9184 4.9184 5.5796 5.5796 12.8679 12.8679 13.8792 13.8792 14.0607 14.0607 14.6125 14.6125 k = 0.0429 0.6837 0.4180 ( 2776 PWs) bands (ev): -17.9726 -17.9726 -17.9426 -17.9426 -17.8904 -17.8904 -17.6714 -17.6714 -1.7989 -1.7989 -0.9947 -0.9947 -0.9190 -0.9190 -0.7298 -0.7298 -0.6532 -0.6532 -0.2925 -0.2925 0.0689 0.0689 0.4365 0.4365 0.6738 0.6738 1.4034 1.4034 1.5291 1.5291 1.7453 1.7453 2.9604 2.9604 3.1720 3.1720 3.3547 3.3547 3.4413 3.4413 3.7428 3.7428 3.8104 3.8104 3.8513 3.8513 3.9224 3.9224 4.9161 4.9161 5.5753 5.5753 12.8675 12.8675 13.8649 13.8649 14.0767 14.0767 14.6192 14.6192 k = 0.0571 0.6837 0.4180 ( 2778 PWs) bands (ev): -17.9734 -17.9734 -17.9430 -17.9430 -17.8887 -17.8887 -17.6718 -17.6718 -1.8024 -1.8024 -1.0165 -1.0165 -0.9288 -0.9288 -0.7380 -0.7380 -0.6278 -0.6278 -0.2869 -0.2869 0.0722 0.0722 0.4335 0.4335 0.6800 0.6800 1.4069 1.4069 1.5332 1.5332 1.7474 1.7474 2.9638 2.9638 3.1753 3.1753 3.3556 3.3556 3.4417 3.4417 3.7433 3.7433 3.8123 3.8123 3.8518 3.8518 3.9205 3.9205 4.9130 4.9130 5.5692 5.5692 12.8670 12.8670 13.8477 13.8477 14.0962 14.0962 14.6286 14.6286 k = 0.0714 0.6837 0.4180 ( 2774 PWs) bands (ev): -17.9743 -17.9743 -17.9434 -17.9434 -17.8865 -17.8865 -17.6723 -17.6723 -1.8069 -1.8069 -1.0454 -1.0454 -0.9341 -0.9341 -0.7477 -0.7477 -0.6017 -0.6017 -0.2807 -0.2807 0.0767 0.0767 0.4300 0.4300 0.6880 0.6880 1.4109 1.4109 1.5387 1.5387 1.7501 1.7501 2.9682 2.9682 3.1796 3.1796 3.3568 3.3568 3.4422 3.4422 3.7438 3.7438 3.8146 3.8146 3.8528 3.8528 3.9182 3.9182 4.9091 4.9091 5.5615 5.5615 12.8665 12.8665 13.8287 13.8287 14.1183 14.1183 14.6406 14.6406 k = 0.0857 0.6837 0.4180 ( 2772 PWs) bands (ev): -17.9754 -17.9754 -17.9440 -17.9440 -17.8839 -17.8839 -17.6730 -17.6730 -1.8122 -1.8122 -1.0788 -1.0788 -0.9364 -0.9364 -0.7587 -0.7587 -0.5759 -0.5759 -0.2746 -0.2746 0.0826 0.0826 0.4263 0.4263 0.6977 0.6977 1.4151 1.4151 1.5456 1.5456 1.7533 1.7533 2.9736 2.9736 3.1846 3.1846 3.3583 3.3583 3.4429 3.4429 3.7442 3.7442 3.8171 3.8171 3.8546 3.8546 3.9154 3.9154 4.9042 4.9042 5.5521 5.5521 12.8658 12.8658 13.8085 13.8085 14.1424 14.1424 14.6550 14.6550 k = 0.1000 0.6837 0.4180 ( 2776 PWs) bands (ev): -17.9766 -17.9766 -17.9446 -17.9446 -17.8809 -17.8809 -17.6738 -17.6738 -1.8183 -1.8183 -1.1147 -1.1147 -0.9371 -0.9371 -0.7706 -0.7706 -0.5513 -0.5513 -0.2690 -0.2690 0.0902 0.0902 0.4225 0.4225 0.7090 0.7090 1.4194 1.4194 1.5541 1.5541 1.7570 1.7570 2.9798 2.9798 3.1905 3.1905 3.3600 3.3600 3.4437 3.4437 3.7445 3.7445 3.8195 3.8195 3.8572 3.8572 3.9123 3.9123 4.8985 4.8985 5.5411 5.5411 12.8652 12.8652 13.7873 13.7873 14.1681 14.1681 14.6720 14.6720 k = 0.1143 0.6837 0.4180 ( 2776 PWs) bands (ev): -17.9778 -17.9778 -17.9454 -17.9454 -17.8777 -17.8777 -17.6747 -17.6747 -1.8251 -1.8251 -1.1520 -1.1520 -0.9369 -0.9369 -0.7829 -0.7829 -0.5284 -0.5284 -0.2646 -0.2646 0.0994 0.0994 0.4190 0.4190 0.7218 0.7218 1.4234 1.4234 1.5641 1.5641 1.7611 1.7611 2.9871 2.9871 3.1971 3.1971 3.3619 3.3619 3.4446 3.4446 3.7444 3.7444 3.8216 3.8216 3.8611 3.8611 3.9092 3.9092 4.8920 4.8920 5.5284 5.5284 12.8646 12.8646 13.7654 13.7654 14.1953 14.1953 14.6913 14.6913 k = 0.1286 0.6837 0.4180 ( 2774 PWs) bands (ev): -17.9791 -17.9791 -17.9462 -17.9462 -17.8741 -17.8741 -17.6758 -17.6758 -1.8325 -1.8325 -1.1900 -1.1900 -0.9360 -0.9360 -0.7955 -0.7955 -0.5075 -0.5075 -0.2615 -0.2615 0.1104 0.1104 0.4160 0.4160 0.7361 0.7361 1.4270 1.4270 1.5755 1.5755 1.7658 1.7658 2.9952 2.9952 3.2044 3.2044 3.3641 3.3641 3.4457 3.4457 3.7438 3.7438 3.8234 3.8234 3.8664 3.8664 3.9061 3.9061 4.8847 4.8847 5.5142 5.5142 12.8641 12.8641 13.7429 13.7429 14.2239 14.2239 14.7129 14.7129 k = 0.1429 0.6837 0.4180 ( 2778 PWs) bands (ev): -17.9803 -17.9803 -17.9472 -17.9472 -17.8703 -17.8703 -17.6769 -17.6769 -1.8405 -1.8405 -1.2283 -1.2283 -0.9348 -0.9348 -0.8081 -0.8081 -0.4890 -0.4890 -0.2600 -0.2600 0.1231 0.1231 0.4138 0.4138 0.7518 0.7518 1.4301 1.4301 1.5883 1.5883 1.7708 1.7708 3.0041 3.0041 3.2123 3.2123 3.3663 3.3663 3.4468 3.4468 3.7425 3.7425 3.8246 3.8246 3.8727 3.8727 3.9036 3.9036 4.8767 4.8767 5.4983 5.4983 12.8638 12.8638 13.7198 13.7198 14.2538 14.2538 14.7367 14.7367 k = 0.1571 0.6837 0.4180 ( 2782 PWs) bands (ev): -17.9816 -17.9816 -17.9482 -17.9482 -17.8663 -17.8663 -17.6782 -17.6782 -1.8489 -1.8489 -1.2666 -1.2666 -0.9332 -0.9332 -0.8204 -0.8204 -0.4729 -0.4729 -0.2603 -0.2603 0.1374 0.1374 0.4124 0.4124 0.7689 0.7689 1.4326 1.4326 1.6023 1.6023 1.7762 1.7762 3.0139 3.0139 3.2207 3.2207 3.3688 3.3688 3.4480 3.4480 3.7405 3.7405 3.8252 3.8252 3.8797 3.8797 3.9024 3.9024 4.8679 4.8679 5.4809 5.4809 12.8637 12.8637 13.6962 13.6962 14.2851 14.2851 14.7625 14.7625 k = 0.1714 0.6837 0.4180 ( 2780 PWs) bands (ev): -17.9827 -17.9827 -17.9493 -17.9493 -17.8621 -17.8621 -17.6796 -17.6796 -1.8576 -1.8576 -1.3047 -1.3047 -0.9314 -0.9314 -0.8324 -0.8324 -0.4594 -0.4594 -0.2622 -0.2622 0.1530 0.1530 0.4121 0.4121 0.7872 0.7872 1.4347 1.4347 1.6171 1.6171 1.7819 1.7819 3.0246 3.0246 3.2296 3.2296 3.3714 3.3714 3.4495 3.4495 3.7376 3.7376 3.8250 3.8250 3.8859 3.8859 3.9044 3.9044 4.8586 4.8586 5.4621 5.4621 12.8640 12.8640 13.6722 13.6722 14.3177 14.3177 14.7902 14.7902 k = 0.1857 0.6837 0.4180 ( 2778 PWs) bands (ev): -17.9839 -17.9839 -17.9505 -17.9505 -17.8577 -17.8577 -17.6812 -17.6812 -1.8665 -1.8665 -1.3424 -1.3424 -0.9294 -0.9294 -0.8439 -0.8439 -0.4486 -0.4486 -0.2657 -0.2657 0.1698 0.1698 0.4129 0.4129 0.8067 0.8067 1.4362 1.4362 1.6327 1.6327 1.7879 1.7879 3.0360 3.0360 3.2388 3.2388 3.3742 3.3742 3.4511 3.4511 3.7338 3.7338 3.8237 3.8237 3.8900 3.8900 3.9110 3.9110 4.8487 4.8487 5.4418 5.4418 12.8645 12.8645 13.6476 13.6476 14.3518 14.3518 14.8197 14.8197 k = 0.2000 0.6837 0.4180 ( 2780 PWs) bands (ev): -17.9849 -17.9849 -17.9517 -17.9517 -17.8532 -17.8532 -17.6829 -17.6829 -1.8754 -1.8754 -1.3796 -1.3796 -0.9273 -0.9273 -0.8548 -0.8548 -0.4403 -0.4403 -0.2707 -0.2707 0.1875 0.1875 0.4148 0.4148 0.8273 0.8273 1.4371 1.4371 1.6488 1.6488 1.7941 1.7941 3.0481 3.0481 3.2483 3.2483 3.3770 3.3770 3.4529 3.4529 3.7291 3.7291 3.8210 3.8210 3.8934 3.8934 3.9214 3.9214 4.8383 4.8383 5.4201 5.4201 12.8655 12.8655 13.6226 13.6226 14.3872 14.3872 14.8509 14.8509 k = 0.2143 0.6837 0.4180 ( 2784 PWs) bands (ev): -17.9859 -17.9859 -17.9530 -17.9530 -17.8485 -17.8485 -17.6847 -17.6847 -1.8843 -1.8843 -1.4161 -1.4161 -0.9251 -0.9251 -0.8650 -0.8650 -0.4344 -0.4344 -0.2770 -0.2770 0.2057 0.2057 0.4178 0.4178 0.8489 0.8489 1.4376 1.4376 1.6652 1.6652 1.8004 1.8004 3.0610 3.0610 3.2579 3.2579 3.3799 3.3799 3.4549 3.4549 3.7234 3.7234 3.8169 3.8169 3.8976 3.8976 3.9339 3.9339 4.8274 4.8274 5.3971 5.3971 12.8671 12.8671 13.5972 13.5972 14.4241 14.4241 14.8834 14.8834 k = 0.2286 0.6837 0.4180 ( 2784 PWs) bands (ev): -17.9867 -17.9867 -17.9544 -17.9544 -17.8438 -17.8438 -17.6867 -17.6867 -1.8931 -1.8931 -1.4519 -1.4519 -0.9229 -0.9229 -0.8745 -0.8745 -0.4308 -0.4308 -0.2843 -0.2843 0.2243 0.2243 0.4219 0.4219 0.8714 0.8714 1.4377 1.4377 1.6817 1.6817 1.8069 1.8069 3.0745 3.0745 3.2676 3.2676 3.3827 3.3827 3.4571 3.4571 3.7169 3.7169 3.8113 3.8113 3.9033 3.9033 3.9479 3.9479 4.8162 4.8162 5.3729 5.3729 12.8691 12.8691 13.5714 13.5714 14.4625 14.4625 14.9173 14.9173 k = 0.2429 0.6837 0.4180 ( 2784 PWs) bands (ev): -17.9875 -17.9875 -17.9558 -17.9558 -17.8389 -17.8389 -17.6888 -17.6888 -1.9016 -1.9016 -1.4869 -1.4869 -0.9207 -0.9207 -0.8832 -0.8832 -0.4293 -0.4293 -0.2926 -0.2926 0.2430 0.2430 0.4268 0.4268 0.8946 0.8946 1.4372 1.4372 1.6981 1.6981 1.8134 1.8134 3.0887 3.0887 3.2773 3.2773 3.3855 3.3855 3.4596 3.4596 3.7095 3.7095 3.8045 3.8045 3.9106 3.9106 3.9629 3.9629 4.8048 4.8048 5.3475 5.3475 12.8719 12.8719 13.5452 13.5452 14.5023 14.5023 14.9523 14.9523 k = 0.2571 0.6837 0.4180 ( 2788 PWs) bands (ev): -17.9882 -17.9882 -17.9572 -17.9572 -17.8340 -17.8340 -17.6910 -17.6910 -1.9098 -1.9098 -1.5209 -1.5209 -0.9186 -0.9186 -0.8911 -0.8911 -0.4295 -0.4295 -0.3017 -0.3017 0.2616 0.2616 0.4323 0.4323 0.9185 0.9185 1.4362 1.4362 1.7142 1.7142 1.8199 1.8199 3.1035 3.1035 3.2869 3.2869 3.3882 3.3882 3.4623 3.4623 3.7015 3.7015 3.7967 3.7967 3.9192 3.9192 3.9789 3.9789 4.7934 4.7934 5.3209 5.3209 12.8753 12.8753 13.5187 13.5187 14.5437 14.5437 14.9882 14.9882 k = 0.2714 0.6837 0.4180 ( 2792 PWs) bands (ev): -17.9887 -17.9887 -17.9587 -17.9587 -17.8290 -17.8290 -17.6934 -17.6934 -1.9174 -1.9174 -1.5540 -1.5540 -0.9166 -0.9166 -0.8981 -0.8981 -0.4312 -0.4312 -0.3113 -0.3113 0.2800 0.2800 0.4384 0.4384 0.9428 0.9428 1.4348 1.4348 1.7300 1.7300 1.8263 1.8263 3.1188 3.1188 3.2963 3.2963 3.3908 3.3908 3.4654 3.4654 3.6927 3.6927 3.7882 3.7882 3.9291 3.9291 3.9955 3.9955 4.7819 4.7819 5.2933 5.2933 12.8795 12.8795 13.4919 13.4919 14.5865 14.5865 15.0249 15.0249 k = 0.2857 0.6837 0.4180 ( 2794 PWs) bands (ev): -17.9892 -17.9892 -17.9603 -17.9603 -17.8239 -17.8239 -17.6959 -17.6959 -1.9245 -1.9245 -1.5860 -1.5860 -0.9150 -0.9150 -0.9040 -0.9040 -0.4341 -0.4341 -0.3214 -0.3214 0.2981 0.2981 0.4447 0.4447 0.9676 0.9676 1.4328 1.4328 1.7453 1.7453 1.8326 1.8326 3.1346 3.1346 3.3055 3.3055 3.3932 3.3932 3.4689 3.4689 3.6833 3.6833 3.7790 3.7790 3.9400 3.9400 4.0127 4.0127 4.7708 4.7708 5.2648 5.2648 12.8844 12.8844 13.4649 13.4649 14.6309 14.6309 15.0620 15.0620 k = 0.3000 0.6837 0.4180 ( 2798 PWs) bands (ev): -17.9895 -17.9895 -17.9618 -17.9618 -17.8188 -17.8188 -17.6986 -17.6986 -1.9309 -1.9309 -1.6168 -1.6168 -0.9146 -0.9146 -0.9081 -0.9081 -0.4379 -0.4379 -0.3319 -0.3319 0.3156 0.3156 0.4511 0.4511 0.9927 0.9927 1.4302 1.4302 1.7600 1.7600 1.8387 1.8387 3.1508 3.1508 3.3143 3.3143 3.3953 3.3953 3.4726 3.4726 3.6734 3.6734 3.7694 3.7694 3.9519 3.9519 4.0302 4.0302 4.7600 4.7600 5.2354 5.2354 12.8903 12.8903 13.4377 13.4377 14.6768 14.6768 15.0995 15.0995 k = 0.3143 0.6837 0.4180 ( 2798 PWs) bands (ev): -17.9897 -17.9897 -17.9634 -17.9634 -17.8137 -17.8137 -17.7014 -17.7014 -1.9366 -1.9366 -1.6465 -1.6465 -0.9168 -0.9168 -0.9090 -0.9090 -0.4422 -0.4422 -0.3426 -0.3426 0.3325 0.3325 0.4575 0.4575 1.0179 1.0179 1.4269 1.4269 1.7740 1.7740 1.8446 1.8446 3.1674 3.1674 3.3227 3.3227 3.3972 3.3972 3.4767 3.4767 3.6631 3.6631 3.7594 3.7594 3.9645 3.9645 4.0477 4.0477 4.7499 4.7499 5.2052 5.2052 12.8971 12.8971 13.4104 13.4104 14.7242 14.7242 15.1372 15.1372 k = 0.3286 0.6837 0.4180 ( 2788 PWs) bands (ev): -17.9897 -17.9897 -17.9649 -17.9649 -17.8086 -17.8086 -17.7043 -17.7043 -1.9413 -1.9413 -1.6750 -1.6750 -0.9200 -0.9200 -0.9083 -0.9083 -0.4468 -0.4468 -0.3534 -0.3534 0.3488 0.3488 0.4635 0.4635 1.0431 1.0431 1.4230 1.4230 1.7872 1.7872 1.8502 1.8502 3.1844 3.1844 3.3308 3.3308 3.3989 3.3989 3.4810 3.4810 3.6525 3.6525 3.7492 3.7492 3.9779 3.9779 4.0651 4.0651 4.7408 4.7408 5.1745 5.1745 12.9049 12.9049 13.3830 13.3830 14.7731 14.7731 15.1748 15.1748 k = 0.3429 0.6837 0.4180 ( 2786 PWs) bands (ev): -17.9897 -17.9897 -17.9665 -17.9665 -17.8035 -17.8035 -17.7074 -17.7074 -1.9452 -1.9452 -1.7021 -1.7021 -0.9229 -0.9229 -0.9075 -0.9075 -0.4515 -0.4515 -0.3642 -0.3642 0.3643 0.3643 0.4691 0.4691 1.0682 1.0682 1.4184 1.4184 1.7997 1.7997 1.8555 1.8555 3.2016 3.2016 3.3384 3.3384 3.4002 3.4002 3.4854 3.4854 3.6419 3.6419 3.7388 3.7388 3.9918 3.9918 4.0818 4.0818 4.7330 4.7330 5.1432 5.1432 12.9136 12.9136 13.3557 13.3557 14.8235 14.8235 15.2122 15.2122 k = 0.3571 0.6837 0.4180 ( 2782 PWs) bands (ev): -17.9895 -17.9895 -17.9681 -17.9681 -17.7983 -17.7983 -17.7106 -17.7106 -1.9480 -1.9480 -1.7280 -1.7280 -0.9252 -0.9252 -0.9069 -0.9069 -0.4559 -0.4559 -0.3748 -0.3748 0.3790 0.3790 0.4741 0.4741 1.0930 1.0930 1.4129 1.4129 1.8113 1.8113 1.8604 1.8604 3.2189 3.2189 3.3454 3.3454 3.4013 3.4013 3.4896 3.4896 3.6314 3.6314 3.7282 3.7282 4.0061 4.0061 4.0977 4.0977 4.7267 4.7267 5.1116 5.1116 12.9234 12.9234 13.3286 13.3286 14.8753 14.8753 15.2492 15.2492 k = 0.3714 0.6837 0.4180 ( 2786 PWs) bands (ev): -17.9893 -17.9893 -17.9697 -17.9697 -17.7932 -17.7932 -17.7139 -17.7139 -1.9498 -1.9498 -1.7525 -1.7525 -0.9268 -0.9268 -0.9066 -0.9066 -0.4600 -0.4600 -0.3854 -0.3854 0.3929 0.3929 0.4785 0.4785 1.1174 1.1174 1.4066 1.4066 1.8220 1.8220 1.8648 1.8648 3.2361 3.2361 3.3519 3.3519 3.4022 3.4022 3.4932 3.4932 3.6214 3.6214 3.7175 3.7175 4.0207 4.0207 4.1123 4.1123 4.7224 4.7224 5.0797 5.0797 12.9343 12.9343 13.3016 13.3016 14.9284 14.9284 15.2858 15.2858 k = 0.3857 0.6837 0.4180 ( 2790 PWs) bands (ev): -17.9889 -17.9889 -17.9712 -17.9712 -17.7882 -17.7882 -17.7174 -17.7174 -1.9504 -1.9504 -1.7757 -1.7757 -0.9278 -0.9278 -0.9067 -0.9067 -0.4635 -0.4635 -0.3956 -0.3956 0.4059 0.4059 0.4820 0.4820 1.1414 1.1414 1.3994 1.3994 1.8319 1.8319 1.8687 1.8687 3.2534 3.2534 3.3578 3.3578 3.4030 3.4030 3.4957 3.4957 3.6126 3.6126 3.7068 3.7068 4.0355 4.0355 4.1251 4.1251 4.7204 4.7204 5.0477 5.0477 12.9463 12.9463 13.2749 13.2749 14.9829 14.9829 15.3217 15.3217 k = 0.4000 0.6837 0.4180 ( 2790 PWs) bands (ev): -17.9884 -17.9884 -17.9728 -17.9728 -17.7831 -17.7831 -17.7210 -17.7210 -1.9499 -1.9499 -1.7974 -1.7974 -0.9281 -0.9281 -0.9072 -0.9072 -0.4662 -0.4662 -0.4055 -0.4055 0.4181 0.4181 0.4847 0.4847 1.1647 1.1647 1.3912 1.3912 1.8407 1.8407 1.8721 1.8721 3.2704 3.2704 3.3629 3.3629 3.4039 3.4039 3.4965 3.4965 3.6056 3.6056 3.6961 3.6961 4.0504 4.0504 4.1360 4.1360 4.7211 4.7211 5.0158 5.0158 12.9593 12.9593 13.2486 13.2486 15.0386 15.0386 15.3570 15.3570 k = 0.4143 0.6837 0.4180 ( 2788 PWs) bands (ev): -17.9878 -17.9878 -17.9743 -17.9743 -17.7782 -17.7782 -17.7248 -17.7248 -1.9481 -1.9481 -1.8177 -1.8177 -0.9279 -0.9279 -0.9080 -0.9080 -0.4680 -0.4680 -0.4150 -0.4150 0.4293 0.4293 0.4865 0.4865 1.1874 1.1874 1.3821 1.3821 1.8487 1.8487 1.8749 1.8749 3.2870 3.2870 3.3672 3.3672 3.4052 3.4052 3.4949 3.4949 3.6011 3.6011 3.6855 3.6855 4.0651 4.0651 4.1444 4.1444 4.7248 4.7248 4.9842 4.9842 12.9735 12.9735 13.2227 13.2227 15.0953 15.0953 15.3913 15.3913 k = 0.4286 0.6837 0.4180 ( 2782 PWs) bands (ev): -17.9871 -17.9871 -17.9757 -17.9757 -17.7732 -17.7732 -17.7286 -17.7286 -1.9450 -1.9450 -1.8365 -1.8365 -0.9273 -0.9273 -0.9092 -0.9092 -0.4689 -0.4689 -0.4239 -0.4239 0.4396 0.4396 0.4874 0.4874 1.2093 1.2093 1.3719 1.3719 1.8557 1.8557 1.8770 1.8770 3.3029 3.3029 3.3703 3.3703 3.4074 3.4074 3.4905 3.4905 3.5995 3.5995 3.6750 3.6750 4.0795 4.0795 4.1502 4.1502 4.7317 4.7317 4.9531 4.9531 12.9888 12.9888 13.1974 13.1974 15.1530 15.1530 15.4242 15.4242 k = 0.4429 0.6837 0.4180 ( 2778 PWs) bands (ev): -17.9863 -17.9863 -17.9771 -17.9771 -17.7684 -17.7684 -17.7326 -17.7326 -1.9405 -1.9405 -1.8539 -1.8539 -0.9261 -0.9261 -0.9107 -0.9107 -0.4688 -0.4688 -0.4322 -0.4322 0.4489 0.4489 0.4872 0.4872 1.2302 1.2302 1.3606 1.3606 1.8617 1.8617 1.8785 1.8785 3.3178 3.3178 3.3719 3.3719 3.4108 3.4108 3.4834 3.4834 3.6009 3.6009 3.6646 3.6646 4.0933 4.0933 4.1531 4.1531 4.7420 4.7420 4.9227 4.9227 13.0052 13.0052 13.1727 13.1727 15.2112 15.2112 15.4546 15.4546 k = 0.4571 0.6837 0.4180 ( 2778 PWs) bands (ev): -17.9855 -17.9855 -17.9785 -17.9785 -17.7636 -17.7636 -17.7367 -17.7367 -1.9347 -1.9347 -1.8698 -1.8698 -0.9246 -0.9246 -0.9125 -0.9125 -0.4676 -0.4676 -0.4398 -0.4398 0.4573 0.4573 0.4860 0.4860 1.2503 1.2503 1.3482 1.3482 1.8669 1.8669 1.8792 1.8792 3.3314 3.3314 3.3718 3.3718 3.4158 3.4158 3.4742 3.4742 3.6048 3.6048 3.6544 3.6544 4.1064 4.1064 4.1533 4.1533 4.7556 4.7556 4.8933 4.8933 13.0227 13.0227 13.1487 13.1487 15.2697 15.2697 15.4794 15.4794 k = 0.4714 0.6837 0.4180 ( 2776 PWs) bands (ev): -17.9845 -17.9845 -17.9799 -17.9799 -17.7589 -17.7589 -17.7409 -17.7409 -1.9275 -1.9275 -1.8843 -1.8843 -0.9228 -0.9228 -0.9144 -0.9144 -0.4654 -0.4654 -0.4467 -0.4467 0.4646 0.4646 0.4838 0.4838 1.2693 1.2693 1.3347 1.3347 1.8711 1.8711 1.8792 1.8792 3.3432 3.3432 3.3699 3.3699 3.4227 3.4227 3.4636 3.4636 3.6107 3.6107 3.6445 3.6445 4.1185 4.1185 4.1507 4.1507 4.7723 4.7723 4.8652 4.8652 13.0413 13.0413 13.1254 13.1254 15.3278 15.3278 15.4904 15.4904 k = 0.4857 0.6837 0.4180 ( 2774 PWs) bands (ev): -17.9834 -17.9834 -17.9811 -17.9811 -17.7542 -17.7542 -17.7453 -17.7453 -1.9189 -1.9189 -1.8973 -1.8973 -0.9208 -0.9208 -0.9166 -0.9166 -0.4622 -0.4622 -0.4528 -0.4528 0.4710 0.4710 0.4806 0.4806 1.2873 1.2873 1.3200 1.3200 1.8744 1.8744 1.8785 1.8785 3.3530 3.3530 3.3662 3.3662 3.4314 3.4314 3.4524 3.4524 3.6179 3.6179 3.6351 3.6351 4.1293 4.1293 4.1457 4.1457 4.7919 4.7919 4.8388 4.8388 13.0609 13.0609 13.1030 13.1030 15.3841 15.3841 15.4753 15.4753 k = 0.5000 0.6837 0.4180 ( 2776 PWs) bands (ev): -17.9823 -17.9823 -17.9823 -17.9823 -17.7497 -17.7497 -17.7497 -17.7497 -1.9088 -1.9088 -1.9088 -1.9088 -0.9187 -0.9187 -0.9187 -0.9187 -0.4580 -0.4580 -0.4580 -0.4580 0.4763 0.4763 0.4763 0.4763 1.3042 1.3042 1.3042 1.3042 1.8769 1.8769 1.8769 1.8769 3.3606 3.3606 3.3606 3.3606 3.4414 3.4414 3.4414 3.4414 3.6261 3.6261 3.6261 3.6261 4.1385 4.1385 4.1385 4.1385 4.8142 4.8142 4.8142 4.8142 13.0815 13.0815 13.0815 13.0815 15.4357 15.4357 15.4357 15.4357 k = 0.5000 0.6837 0.4180 ( 2776 PWs) bands (ev): -17.9823 -17.9823 -17.9823 -17.9823 -17.7497 -17.7497 -17.7497 -17.7497 -1.9088 -1.9088 -1.9088 -1.9088 -0.9187 -0.9187 -0.9187 -0.9187 -0.4580 -0.4580 -0.4580 -0.4580 0.4763 0.4763 0.4763 0.4763 1.3042 1.3042 1.3042 1.3042 1.8769 1.8769 1.8769 1.8769 3.3606 3.3606 3.3606 3.3606 3.4414 3.4414 3.4414 3.4414 3.6261 3.6261 3.6261 3.6261 4.1385 4.1385 4.1385 4.1385 4.8142 4.8142 4.8142 4.8142 13.0815 13.0815 13.0815 13.0815 15.4357 15.4357 15.4357 15.4357 k = 0.5000 0.6907 0.4065 ( 2772 PWs) bands (ev): -17.9822 -17.9822 -17.9822 -17.9822 -17.7499 -17.7499 -17.7498 -17.7498 -1.9085 -1.9085 -1.9083 -1.9083 -0.9192 -0.9192 -0.9188 -0.9188 -0.4567 -0.4567 -0.4567 -0.4567 0.4757 0.4757 0.4761 0.4761 1.3039 1.3039 1.3044 1.3044 1.8754 1.8754 1.8761 1.8761 3.3592 3.3592 3.3608 3.3608 3.4361 3.4361 3.4471 3.4471 3.6203 3.6203 3.6329 3.6329 4.1363 4.1363 4.1391 4.1391 4.8136 4.8136 4.8164 4.8164 13.0819 13.0819 13.0819 13.0819 15.4354 15.4354 15.4359 15.4359 k = 0.5000 0.6977 0.3951 ( 2776 PWs) bands (ev): -17.9820 -17.9820 -17.9818 -17.9818 -17.7504 -17.7504 -17.7503 -17.7503 -1.9074 -1.9074 -1.9071 -1.9071 -0.9201 -0.9201 -0.9194 -0.9194 -0.4530 -0.4530 -0.4530 -0.4530 0.4744 0.4744 0.4752 0.4752 1.3036 1.3036 1.3044 1.3044 1.8718 1.8718 1.8731 1.8731 3.3563 3.3563 3.3597 3.3597 3.4312 3.4312 3.4527 3.4527 3.6156 3.6156 3.6404 3.6404 4.1328 4.1328 4.1384 4.1384 4.8144 4.8144 4.8200 4.8200 13.0831 13.0831 13.0832 13.0832 15.4351 15.4351 15.4359 15.4359 k = 0.5000 0.7047 0.3837 ( 2782 PWs) bands (ev): -17.9815 -17.9815 -17.9813 -17.9813 -17.7511 -17.7511 -17.7510 -17.7510 -1.9056 -1.9056 -1.9051 -1.9051 -0.9216 -0.9216 -0.9206 -0.9206 -0.4469 -0.4469 -0.4469 -0.4469 0.4724 0.4724 0.4735 0.4735 1.3030 1.3030 1.3043 1.3043 1.8659 1.8659 1.8679 1.8679 3.3519 3.3519 3.3576 3.3576 3.4271 3.4271 3.4579 3.4579 3.6123 3.6123 3.6485 3.6485 4.1280 4.1280 4.1363 4.1363 4.8168 4.8168 4.8250 4.8250 13.0852 13.0852 13.0854 13.0854 15.4343 15.4343 15.4354 15.4354 k = 0.5000 0.7117 0.3723 ( 2784 PWs) bands (ev): -17.9808 -17.9808 -17.9805 -17.9805 -17.7522 -17.7522 -17.7520 -17.7520 -1.9030 -1.9030 -1.9024 -1.9024 -0.9235 -0.9235 -0.9221 -0.9221 -0.4384 -0.4384 -0.4384 -0.4384 0.4696 0.4696 0.4711 0.4711 1.3023 1.3023 1.3040 1.3040 1.8580 1.8580 1.8606 1.8606 3.3463 3.3463 3.3547 3.3547 3.4238 3.4238 3.4623 3.4623 3.6106 3.6106 3.6571 3.6571 4.1221 4.1221 4.1329 4.1329 4.8206 4.8206 4.8313 4.8313 13.0879 13.0879 13.0882 13.0882 15.4329 15.4329 15.4339 15.4339 k = 0.5000 0.7186 0.3609 ( 2780 PWs) bands (ev): -17.9800 -17.9800 -17.9796 -17.9796 -17.7536 -17.7536 -17.7533 -17.7533 -1.8996 -1.8996 -1.8989 -1.8989 -0.9257 -0.9257 -0.9240 -0.9240 -0.4277 -0.4277 -0.4277 -0.4277 0.4661 0.4661 0.4680 0.4680 1.3015 1.3015 1.3036 1.3036 1.8480 1.8480 1.8513 1.8513 3.3394 3.3394 3.3509 3.3509 3.4212 3.4212 3.4657 3.4657 3.6105 3.6105 3.6660 3.6660 4.1152 4.1152 4.1284 4.1284 4.8257 4.8257 4.8388 4.8388 13.0912 13.0912 13.0915 13.0915 15.4298 15.4298 15.4304 15.4304 k = 0.5000 0.7256 0.3494 ( 2780 PWs) bands (ev): -17.9789 -17.9789 -17.9784 -17.9784 -17.7552 -17.7552 -17.7549 -17.7549 -1.8955 -1.8955 -1.8946 -1.8946 -0.9282 -0.9282 -0.9262 -0.9262 -0.4148 -0.4148 -0.4148 -0.4148 0.4618 0.4618 0.4641 0.4641 1.3003 1.3003 1.3029 1.3029 1.8361 1.8361 1.8401 1.8401 3.3317 3.3317 3.3464 3.3464 3.4191 3.4191 3.4680 3.4680 3.6121 3.6121 3.6751 3.6751 4.1074 4.1074 4.1230 4.1230 4.8320 4.8320 4.8473 4.8473 13.0948 13.0948 13.0953 13.0953 15.4234 15.4234 15.4238 15.4238 k = 0.5000 0.7326 0.3380 ( 2776 PWs) bands (ev): -17.9777 -17.9777 -17.9771 -17.9771 -17.7571 -17.7571 -17.7568 -17.7568 -1.8906 -1.8906 -1.8895 -1.8895 -0.9308 -0.9308 -0.9286 -0.9286 -0.4000 -0.4000 -0.4000 -0.4000 0.4569 0.4569 0.4596 0.4596 1.2989 1.2989 1.3019 1.3019 1.8224 1.8224 1.8271 1.8271 3.3233 3.3233 3.3413 3.3413 3.4173 3.4173 3.4691 3.4691 3.6154 3.6154 3.6843 3.6843 4.0991 4.0991 4.1169 4.1169 4.8393 4.8393 4.8567 4.8567 13.0985 13.0985 13.0992 13.0992 15.4110 15.4110 15.4128 15.4128 k = 0.5000 0.7326 0.3380 ( 2776 PWs) bands (ev): -17.9777 -17.9777 -17.9771 -17.9771 -17.7571 -17.7571 -17.7568 -17.7568 -1.8906 -1.8906 -1.8895 -1.8895 -0.9308 -0.9308 -0.9286 -0.9286 -0.4000 -0.4000 -0.4000 -0.4000 0.4569 0.4569 0.4596 0.4596 1.2989 1.2989 1.3019 1.3019 1.8224 1.8224 1.8271 1.8271 3.3233 3.3233 3.3413 3.3413 3.4173 3.4173 3.4691 3.4691 3.6154 3.6154 3.6843 3.6843 4.0991 4.0991 4.1169 4.1169 4.8393 4.8393 4.8567 4.8567 13.0985 13.0985 13.0992 13.0992 15.4110 15.4110 15.4128 15.4128 k = 0.5000 0.7310 0.3241 ( 2778 PWs) bands (ev): -17.9762 -17.9762 -17.9755 -17.9755 -17.7588 -17.7588 -17.7584 -17.7584 -1.8835 -1.8835 -1.8822 -1.8822 -0.9315 -0.9315 -0.9292 -0.9292 -0.3905 -0.3905 -0.3904 -0.3904 0.4469 0.4469 0.4504 0.4504 1.2968 1.2968 1.3005 1.3005 1.8128 1.8128 1.8185 1.8185 3.3149 3.3149 3.3351 3.3351 3.4146 3.4146 3.4676 3.4676 3.6211 3.6211 3.6942 3.6942 4.0863 4.0863 4.1049 4.1049 4.8517 4.8517 4.8704 4.8704 13.1086 13.1086 13.1094 13.1094 15.3703 15.3703 15.3755 15.3755 k = 0.5000 0.7294 0.3101 ( 2776 PWs) bands (ev): -17.9746 -17.9746 -17.9738 -17.9738 -17.7606 -17.7606 -17.7602 -17.7602 -1.8751 -1.8751 -1.8736 -1.8736 -0.9317 -0.9317 -0.9294 -0.9294 -0.3805 -0.3805 -0.3803 -0.3803 0.4355 0.4355 0.4399 0.4399 1.2940 1.2940 1.2983 1.2983 1.8026 1.8026 1.8092 1.8092 3.3060 3.3060 3.3282 3.3282 3.4118 3.4118 3.4655 3.4655 3.6280 3.6280 3.7043 3.7043 4.0725 4.0725 4.0919 4.0919 4.8656 4.8656 4.8855 4.8855 13.1193 13.1193 13.1203 13.1203 15.3165 15.3165 15.3245 15.3245 k = 0.5000 0.7277 0.2962 ( 2770 PWs) bands (ev): -17.9729 -17.9729 -17.9720 -17.9720 -17.7625 -17.7625 -17.7621 -17.7621 -1.8654 -1.8654 -1.8638 -1.8638 -0.9316 -0.9316 -0.9291 -0.9291 -0.3700 -0.3700 -0.3698 -0.3698 0.4229 0.4229 0.4281 0.4281 1.2904 1.2904 1.2952 1.2952 1.7919 1.7919 1.7994 1.7994 3.2968 3.2968 3.3207 3.3207 3.4091 3.4091 3.4631 3.4631 3.6357 3.6357 3.7145 3.7145 4.0580 4.0580 4.0781 4.0781 4.8808 4.8808 4.9017 4.9017 13.1306 13.1306 13.1318 13.1318 15.2595 15.2595 15.2684 15.2684 k = 0.5000 0.7261 0.2823 ( 2762 PWs) bands (ev): -17.9711 -17.9711 -17.9701 -17.9701 -17.7645 -17.7645 -17.7641 -17.7641 -1.8546 -1.8546 -1.8527 -1.8527 -0.9310 -0.9310 -0.9284 -0.9284 -0.3592 -0.3592 -0.3590 -0.3590 0.4091 0.4091 0.4152 0.4152 1.2859 1.2859 1.2913 1.2913 1.7807 1.7807 1.7892 1.7892 3.2873 3.2873 3.3125 3.3125 3.4063 3.4063 3.4605 3.4605 3.6440 3.6440 3.7247 3.7247 4.0430 4.0430 4.0638 4.0638 4.8968 4.8968 4.9188 4.9188 13.1426 13.1426 13.1440 13.1440 15.2017 15.2017 15.2110 15.2110 k = 0.5000 0.7245 0.2683 ( 2766 PWs) bands (ev): -17.9692 -17.9692 -17.9682 -17.9682 -17.7667 -17.7667 -17.7662 -17.7662 -1.8426 -1.8426 -1.8406 -1.8406 -0.9300 -0.9300 -0.9273 -0.9273 -0.3482 -0.3482 -0.3479 -0.3479 0.3942 0.3942 0.4012 0.4012 1.2805 1.2805 1.2865 1.2865 1.7692 1.7692 1.7786 1.7786 3.2776 3.2776 3.3038 3.3038 3.4034 3.4034 3.4579 3.4579 3.6526 3.6526 3.7347 3.7347 4.0276 4.0276 4.0491 4.0491 4.9137 4.9137 4.9365 4.9365 13.1552 13.1552 13.1568 13.1568 15.1441 15.1441 15.1534 15.1534 k = 0.5000 0.7228 0.2544 ( 2764 PWs) bands (ev): -17.9672 -17.9672 -17.9661 -17.9661 -17.7689 -17.7689 -17.7684 -17.7684 -1.8295 -1.8295 -1.8273 -1.8273 -0.9285 -0.9285 -0.9258 -0.9258 -0.3369 -0.3369 -0.3367 -0.3367 0.3784 0.3784 0.3863 0.3863 1.2741 1.2741 1.2807 1.2807 1.7575 1.7575 1.7679 1.7679 3.2678 3.2678 3.2946 3.2946 3.4006 3.4006 3.4553 3.4553 3.6614 3.6614 3.7445 3.7445 4.0120 4.0120 4.0344 4.0344 4.9310 4.9310 4.9547 4.9547 13.1683 13.1683 13.1702 13.1702 15.0871 15.0871 15.0963 15.0963 k = 0.5000 0.7212 0.2405 ( 2768 PWs) bands (ev): -17.9652 -17.9652 -17.9639 -17.9639 -17.7713 -17.7713 -17.7708 -17.7708 -1.8154 -1.8154 -1.8131 -1.8131 -0.9267 -0.9267 -0.9238 -0.9238 -0.3257 -0.3257 -0.3256 -0.3256 0.3618 0.3618 0.3707 0.3707 1.2668 1.2668 1.2738 1.2738 1.7457 1.7457 1.7571 1.7571 3.2578 3.2578 3.2850 3.2850 3.3977 3.3977 3.4528 3.4528 3.6702 3.6702 3.7540 3.7540 3.9966 3.9966 4.0199 4.0199 4.9487 4.9487 4.9731 4.9731 13.1820 13.1820 13.1842 13.1842 15.0310 15.0310 15.0401 15.0401 k = 0.5000 0.7196 0.2266 ( 2766 PWs) bands (ev): -17.9630 -17.9630 -17.9617 -17.9617 -17.7737 -17.7737 -17.7732 -17.7732 -1.8004 -1.8004 -1.7978 -1.7978 -0.9244 -0.9244 -0.9215 -0.9215 -0.3145 -0.3145 -0.3145 -0.3145 0.3447 0.3447 0.3547 0.3547 1.2584 1.2584 1.2658 1.2658 1.7340 1.7340 1.7463 1.7463 3.2479 3.2479 3.2752 3.2752 3.3948 3.3948 3.4505 3.4505 3.6789 3.6789 3.7632 3.7632 3.9814 3.9814 4.0057 4.0057 4.9666 4.9666 4.9917 4.9917 13.1962 13.1962 13.1987 13.1987 14.9759 14.9759 14.9849 14.9849 k = 0.5000 0.7179 0.2126 ( 2764 PWs) bands (ev): -17.9608 -17.9608 -17.9594 -17.9594 -17.7763 -17.7763 -17.7757 -17.7757 -1.7844 -1.7844 -1.7817 -1.7817 -0.9217 -0.9217 -0.9187 -0.9187 -0.3038 -0.3038 -0.3037 -0.3037 0.3272 0.3272 0.3383 0.3383 1.2490 1.2490 1.2567 1.2567 1.7225 1.7225 1.7357 1.7357 3.2380 3.2380 3.2651 3.2651 3.3919 3.3919 3.4483 3.4483 3.6874 3.6874 3.7718 3.7718 3.9665 3.9665 3.9920 3.9920 4.9845 4.9845 5.0103 5.0103 13.2108 13.2108 13.2136 13.2136 14.9221 14.9221 14.9309 14.9309 k = 0.5000 0.7163 0.1987 ( 2762 PWs) bands (ev): -17.9586 -17.9586 -17.9571 -17.9571 -17.7789 -17.7789 -17.7783 -17.7783 -1.7677 -1.7677 -1.7649 -1.7649 -0.9186 -0.9186 -0.9155 -0.9155 -0.2937 -0.2937 -0.2933 -0.2933 0.3097 0.3097 0.3220 0.3220 1.2385 1.2385 1.2465 1.2465 1.7114 1.7114 1.7253 1.7253 3.2281 3.2281 3.2550 3.2550 3.3890 3.3890 3.4462 3.4462 3.6956 3.6956 3.7798 3.7798 3.9521 3.9521 3.9791 3.9791 5.0023 5.0023 5.0287 5.0287 13.2258 13.2258 13.2289 13.2289 14.8695 14.8695 14.8782 14.8782 k = 0.5000 0.7147 0.1848 ( 2760 PWs) bands (ev): -17.9563 -17.9563 -17.9547 -17.9547 -17.7815 -17.7815 -17.7810 -17.7810 -1.7503 -1.7503 -1.7474 -1.7474 -0.9151 -0.9151 -0.9119 -0.9119 -0.2843 -0.2843 -0.2836 -0.2836 0.2924 0.2924 0.3060 0.3060 1.2269 1.2269 1.2352 1.2352 1.7006 1.7006 1.7152 1.7152 3.2184 3.2184 3.2448 3.2448 3.3861 3.3861 3.4443 3.4443 3.7034 3.7034 3.7870 3.7870 3.9384 3.9384 3.9671 3.9671 5.0199 5.0199 5.0468 5.0468 13.2412 13.2412 13.2447 13.2447 14.8183 14.8183 14.8269 14.8269 k = 0.5000 0.7131 0.1708 ( 2762 PWs) bands (ev): -17.9539 -17.9539 -17.9522 -17.9522 -17.7842 -17.7842 -17.7837 -17.7837 -1.7323 -1.7323 -1.7293 -1.7293 -0.9112 -0.9112 -0.9078 -0.9078 -0.2761 -0.2761 -0.2750 -0.2750 0.2757 0.2757 0.2906 0.2906 1.2144 1.2144 1.2227 1.2227 1.6903 1.6903 1.7056 1.7056 3.2087 3.2087 3.2346 3.2346 3.3832 3.3832 3.4425 3.4425 3.7107 3.7107 3.7933 3.7933 3.9254 3.9254 3.9562 3.9562 5.0371 5.0371 5.0645 5.0645 13.2569 13.2569 13.2607 13.2607 14.7686 14.7686 14.7771 14.7771 k = 0.5000 0.7114 0.1569 ( 2768 PWs) bands (ev): -17.9515 -17.9515 -17.9497 -17.9497 -17.7870 -17.7870 -17.7864 -17.7864 -1.7139 -1.7139 -1.7107 -1.7107 -0.9068 -0.9068 -0.9034 -0.9034 -0.2692 -0.2692 -0.2677 -0.2677 0.2599 0.2599 0.2762 0.2762 1.2008 1.2008 1.2091 1.2091 1.6806 1.6806 1.6965 1.6965 3.1993 3.1993 3.2246 3.2246 3.3804 3.3804 3.4408 3.4408 3.7174 3.7174 3.7986 3.7986 3.9133 3.9133 3.9466 3.9466 5.0538 5.0538 5.0817 5.0817 13.2728 13.2728 13.2770 13.2770 14.7205 14.7205 14.7289 14.7289 k = 0.5000 0.7098 0.1430 ( 2768 PWs) bands (ev): -17.9491 -17.9491 -17.9472 -17.9472 -17.7897 -17.7897 -17.7892 -17.7892 -1.6951 -1.6951 -1.6919 -1.6919 -0.9020 -0.9020 -0.8985 -0.8985 -0.2641 -0.2641 -0.2621 -0.2621 0.2455 0.2455 0.2632 0.2632 1.1864 1.1864 1.1945 1.1945 1.6716 1.6716 1.6880 1.6880 3.1901 3.1901 3.2148 3.2148 3.3776 3.3776 3.4392 3.4392 3.7235 3.7235 3.8026 3.8026 3.9021 3.9021 3.9385 3.9385 5.0701 5.0701 5.0984 5.0984 13.2889 13.2889 13.2935 13.2935 14.6740 14.6740 14.6824 14.6824 k = 0.5000 0.7082 0.1290 ( 2764 PWs) bands (ev): -17.9467 -17.9467 -17.9447 -17.9447 -17.7925 -17.7925 -17.7920 -17.7920 -1.6762 -1.6762 -1.6729 -1.6729 -0.8968 -0.8968 -0.8931 -0.8931 -0.2609 -0.2609 -0.2584 -0.2584 0.2328 0.2328 0.2520 0.2520 1.1711 1.1711 1.1791 1.1791 1.6633 1.6633 1.6801 1.6801 3.1813 3.1813 3.2052 3.2052 3.3749 3.3749 3.4377 3.4377 3.7288 3.7288 3.8053 3.8053 3.8921 3.8921 3.9321 3.9321 5.0856 5.0856 5.1144 5.1144 13.3051 13.3051 13.3101 13.3101 14.6292 14.6292 14.6376 14.6376 k = 0.5000 0.7065 0.1151 ( 2766 PWs) bands (ev): -17.9443 -17.9443 -17.9422 -17.9422 -17.7953 -17.7953 -17.7948 -17.7948 -1.6572 -1.6572 -1.6538 -1.6538 -0.8912 -0.8912 -0.8874 -0.8874 -0.2601 -0.2601 -0.2571 -0.2571 0.2223 0.2223 0.2429 0.2429 1.1552 1.1552 1.1628 1.1628 1.6556 1.6556 1.6728 1.6728 3.1727 3.1727 3.1959 3.1959 3.3723 3.3723 3.4364 3.4364 3.7332 3.7332 3.8066 3.8066 3.8832 3.8832 3.9274 3.9274 5.1005 5.1005 5.1297 5.1297 13.3214 13.3214 13.3268 13.3268 14.5862 14.5862 14.5947 14.5947 k = 0.5000 0.7049 0.1012 ( 2766 PWs) bands (ev): -17.9418 -17.9418 -17.9396 -17.9396 -17.7980 -17.7980 -17.7975 -17.7975 -1.6384 -1.6384 -1.6350 -1.6350 -0.8851 -0.8851 -0.8812 -0.8812 -0.2618 -0.2618 -0.2583 -0.2583 0.2140 0.2140 0.2361 0.2361 1.1388 1.1388 1.1459 1.1459 1.6487 1.6487 1.6661 1.6661 3.1645 3.1645 3.1870 3.1870 3.3698 3.3698 3.4351 3.4351 3.7368 3.7368 3.8064 3.8064 3.8756 3.8756 3.9244 3.9244 5.1146 5.1146 5.1442 5.1442 13.3375 13.3375 13.3434 13.3434 14.5451 14.5451 14.5537 14.5537 k = 0.5000 0.7033 0.0872 ( 2764 PWs) bands (ev): -17.9394 -17.9394 -17.9372 -17.9372 -17.8007 -17.8007 -17.8003 -17.8003 -1.6198 -1.6198 -1.6164 -1.6164 -0.8787 -0.8787 -0.8745 -0.8745 -0.2659 -0.2659 -0.2621 -0.2621 0.2083 0.2083 0.2318 0.2318 1.1221 1.1221 1.1287 1.1287 1.6424 1.6424 1.6601 1.6601 3.1568 3.1568 3.1786 3.1786 3.3674 3.3674 3.4340 3.4340 3.7394 3.7394 3.8051 3.8051 3.8693 3.8693 3.9229 3.9229 5.1279 5.1279 5.1578 5.1578 13.3535 13.3535 13.3598 13.3598 14.5060 14.5060 14.5147 14.5147 k = 0.5000 0.7017 0.0733 ( 2764 PWs) bands (ev): -17.9371 -17.9371 -17.9347 -17.9347 -17.8033 -17.8033 -17.8029 -17.8029 -1.6018 -1.6018 -1.5984 -1.5984 -0.8718 -0.8718 -0.8675 -0.8675 -0.2725 -0.2725 -0.2684 -0.2684 0.2051 0.2051 0.2299 0.2299 1.1053 1.1053 1.1112 1.1112 1.6368 1.6368 1.6546 1.6546 3.1495 3.1495 3.1706 3.1706 3.3652 3.3652 3.4329 3.4329 3.7410 3.7410 3.8029 3.8029 3.8643 3.8643 3.9226 3.9226 5.1403 5.1403 5.1705 5.1705 13.3692 13.3692 13.3760 13.3760 14.4690 14.4690 14.4779 14.4779 k = 0.5000 0.7000 0.0594 ( 2760 PWs) bands (ev): -17.9348 -17.9348 -17.9324 -17.9324 -17.8059 -17.8059 -17.8055 -17.8055 -1.5845 -1.5845 -1.5810 -1.5810 -0.8646 -0.8646 -0.8601 -0.8601 -0.2814 -0.2814 -0.2770 -0.2770 0.2044 0.2044 0.2303 0.2303 1.0885 1.0885 1.0938 1.0938 1.6318 1.6318 1.6498 1.6498 3.1427 3.1427 3.1632 3.1632 3.3631 3.3631 3.4319 3.4319 3.7417 3.7417 3.8000 3.8000 3.8605 3.8605 3.9233 3.9233 5.1518 5.1518 5.1823 5.1823 13.3845 13.3845 13.3917 13.3917 14.4343 14.4343 14.4433 14.4433 k = 0.5000 0.6984 0.0454 ( 2756 PWs) bands (ev): -17.9327 -17.9327 -17.9301 -17.9301 -17.8083 -17.8083 -17.8080 -17.8080 -1.5680 -1.5680 -1.5645 -1.5645 -0.8572 -0.8572 -0.8525 -0.8525 -0.2920 -0.2920 -0.2875 -0.2875 0.2057 0.2057 0.2326 0.2326 1.0721 1.0721 1.0766 1.0766 1.6275 1.6275 1.6455 1.6455 3.1364 3.1364 3.1563 3.1563 3.3611 3.3611 3.4310 3.4310 3.7417 3.7417 3.7968 3.7968 3.8578 3.8578 3.9245 3.9245 5.1623 5.1623 5.1931 5.1931 13.3992 13.3992 13.4069 13.4069 14.4019 14.4019 14.4112 14.4112 k = 0.5000 0.6968 0.0315 ( 2756 PWs) bands (ev): -17.9306 -17.9306 -17.9279 -17.9279 -17.8106 -17.8106 -17.8103 -17.8103 -1.5526 -1.5526 -1.5492 -1.5492 -0.8495 -0.8495 -0.8447 -0.8447 -0.3040 -0.3040 -0.2994 -0.2994 0.2086 0.2086 0.2366 0.2366 1.0563 1.0563 1.0600 1.0600 1.6237 1.6237 1.6418 1.6418 3.1307 3.1307 3.1501 3.1501 3.3593 3.3593 3.4302 3.4302 3.7410 3.7410 3.7934 3.7934 3.8561 3.8561 3.9262 3.9262 5.1718 5.1718 5.2028 5.2028 13.4132 13.4132 13.4214 13.4214 14.3721 14.3721 14.3817 14.3817 k = 0.5000 0.6951 0.0176 ( 2754 PWs) bands (ev): -17.9287 -17.9287 -17.9259 -17.9259 -17.8127 -17.8127 -17.8125 -17.8125 -1.5385 -1.5385 -1.5351 -1.5351 -0.8419 -0.8419 -0.8368 -0.8368 -0.3167 -0.3167 -0.3122 -0.3122 0.2128 0.2128 0.2416 0.2416 1.0414 1.0414 1.0444 1.0444 1.6205 1.6205 1.6385 1.6385 3.1256 3.1256 3.1445 3.1445 3.3577 3.3577 3.4295 3.4295 3.7399 3.7399 3.7902 3.7902 3.8551 3.8551 3.9280 3.9280 5.1803 5.1803 5.2115 5.2115 13.4262 13.4262 13.4349 13.4349 14.3451 14.3451 14.3549 14.3549 k = 0.5000 0.6935 0.0036 ( 2760 PWs) bands (ev): -17.9270 -17.9270 -17.9241 -17.9241 -17.8147 -17.8147 -17.8145 -17.8145 -1.5258 -1.5258 -1.5224 -1.5224 -0.8344 -0.8344 -0.8291 -0.8291 -0.3297 -0.3297 -0.3251 -0.3251 0.2177 0.2177 0.2472 0.2472 1.0276 1.0276 1.0299 1.0299 1.6178 1.6178 1.6358 1.6358 3.1210 3.1210 3.1396 3.1396 3.3563 3.3563 3.4288 3.4288 3.7385 3.7385 3.7871 3.7871 3.8546 3.8546 3.9298 3.9298 5.1877 5.1877 5.2190 5.2190 13.4382 13.4382 13.4473 13.4473 14.3210 14.3210 14.3311 14.3311 k = 0.5000 0.6919-0.0103 ( 2756 PWs) bands (ev): -17.9254 -17.9254 -17.9225 -17.9225 -17.8164 -17.8164 -17.8162 -17.8162 -1.5148 -1.5148 -1.5114 -1.5114 -0.8273 -0.8273 -0.8218 -0.8218 -0.3421 -0.3421 -0.3376 -0.3376 0.2228 0.2228 0.2530 0.2530 1.0154 1.0154 1.0169 1.0169 1.6155 1.6155 1.6335 1.6335 3.1172 3.1172 3.1354 3.1354 3.3551 3.3551 3.4283 3.4283 3.7372 3.7372 3.7844 3.7844 3.8545 3.8545 3.9315 3.9315 5.1940 5.1940 5.2255 5.2255 13.4488 13.4488 13.4583 13.4583 14.3001 14.3001 14.3105 14.3105 k = 0.5000 0.6903-0.0242 ( 2756 PWs) bands (ev): -17.9241 -17.9241 -17.9211 -17.9211 -17.8178 -17.8178 -17.8177 -17.8177 -1.5055 -1.5055 -1.5022 -1.5022 -0.8209 -0.8209 -0.8152 -0.8152 -0.3534 -0.3534 -0.3490 -0.3490 0.2277 0.2277 0.2585 0.2585 1.0049 1.0049 1.0058 1.0058 1.6137 1.6137 1.6317 1.6317 3.1140 3.1140 3.1319 3.1319 3.3540 3.3540 3.4279 3.4279 3.7358 3.7358 3.7820 3.7820 3.8546 3.8546 3.9331 3.9331 5.1991 5.1991 5.2308 5.2308 13.4578 13.4578 13.4677 13.4677 14.2826 14.2826 14.2932 14.2932 k = 0.5000 0.6886-0.0382 ( 2752 PWs) bands (ev): -17.9230 -17.9230 -17.9200 -17.9200 -17.8189 -17.8189 -17.8189 -17.8189 -1.4982 -1.4982 -1.4949 -1.4949 -0.8154 -0.8154 -0.8096 -0.8096 -0.3630 -0.3630 -0.3586 -0.3586 0.2319 0.2319 0.2633 0.2633 0.9964 0.9964 0.9967 0.9967 1.6123 1.6123 1.6303 1.6303 3.1115 3.1115 3.1292 3.1292 3.3533 3.3533 3.4275 3.4275 3.7347 3.7347 3.7802 3.7802 3.8548 3.8548 3.9343 3.9343 5.2032 5.2032 5.2349 5.2349 13.4651 13.4651 13.4753 13.4753 14.2687 14.2687 14.2795 14.2795 k = 0.5000 0.6870-0.0521 ( 2752 PWs) bands (ev): -17.9223 -17.9223 -17.9192 -17.9192 -17.8198 -17.8198 -17.8198 -17.8198 -1.4928 -1.4928 -1.4895 -1.4895 -0.8113 -0.8113 -0.8053 -0.8053 -0.3703 -0.3703 -0.3659 -0.3659 0.2352 0.2352 0.2669 0.2669 0.9901 0.9901 0.9902 0.9902 1.6113 1.6113 1.6293 1.6293 3.1097 3.1097 3.1272 3.1272 3.3527 3.3527 3.4273 3.4273 3.7338 3.7338 3.7788 3.7788 3.8550 3.8550 3.9352 3.9352 5.2061 5.2061 5.2379 5.2379 13.4705 13.4705 13.4809 13.4809 14.2586 14.2586 14.2696 14.2696 k = 0.5000 0.6854-0.0660 ( 2754 PWs) bands (ev): -17.9218 -17.9218 -17.9187 -17.9187 -17.8203 -17.8203 -17.8203 -17.8203 -1.4896 -1.4896 -1.4863 -1.4863 -0.8086 -0.8086 -0.8026 -0.8026 -0.3749 -0.3749 -0.3705 -0.3705 0.2373 0.2373 0.2692 0.2692 0.9860 0.9860 0.9863 0.9863 1.6108 1.6108 1.6288 1.6288 3.1086 3.1086 3.1260 3.1260 3.3523 3.3523 3.4271 3.4271 3.7333 3.7333 3.7780 3.7780 3.8551 3.8551 3.9358 3.9358 5.2078 5.2078 5.2397 5.2397 13.4737 13.4737 13.4843 13.4843 14.2524 14.2524 14.2636 14.2636 k = 0.5000 0.6837-0.0800 ( 2752 PWs) bands (ev): -17.9217 -17.9217 -17.9185 -17.9185 -17.8205 -17.8205 -17.8205 -17.8205 -1.4885 -1.4885 -1.4853 -1.4853 -0.8077 -0.8077 -0.8017 -0.8017 -0.3765 -0.3765 -0.3720 -0.3720 0.2380 0.2380 0.2700 0.2700 0.9846 0.9846 0.9851 0.9851 1.6106 1.6106 1.6286 1.6286 3.1083 3.1083 3.1256 3.1256 3.3522 3.3522 3.4271 3.4271 3.7331 3.7331 3.7778 3.7778 3.8552 3.8552 3.9359 3.9359 5.2084 5.2084 5.2403 5.2403 13.4748 13.4748 13.4855 13.4855 14.2504 14.2504 14.2616 14.2616 k = 0.5000 0.6837-0.0800 ( 2752 PWs) bands (ev): -17.9217 -17.9217 -17.9185 -17.9185 -17.8205 -17.8205 -17.8205 -17.8205 -1.4885 -1.4885 -1.4853 -1.4853 -0.8077 -0.8077 -0.8017 -0.8017 -0.3765 -0.3765 -0.3720 -0.3720 0.2380 0.2380 0.2700 0.2700 0.9846 0.9846 0.9851 0.9851 1.6106 1.6106 1.6286 1.6286 3.1083 3.1083 3.1256 3.1256 3.3522 3.3522 3.4271 3.4271 3.7331 3.7331 3.7778 3.7778 3.8552 3.8552 3.9359 3.9359 5.2084 5.2084 5.2403 5.2403 13.4748 13.4748 13.4855 13.4855 14.2504 14.2504 14.2616 14.2616 k = 0.4857 0.6837-0.0800 ( 2756 PWs) bands (ev): -17.9220 -17.9220 -17.9189 -17.9189 -17.8201 -17.8201 -17.8201 -17.8201 -1.4880 -1.4880 -1.4848 -1.4848 -0.8091 -0.8091 -0.8031 -0.8031 -0.3746 -0.3746 -0.3702 -0.3702 0.2375 0.2375 0.2695 0.2695 0.9848 0.9848 0.9852 0.9852 1.6094 1.6094 1.6273 1.6273 3.1092 3.1092 3.1265 3.1265 3.3523 3.3523 3.4272 3.4272 3.7333 3.7333 3.7780 3.7780 3.8553 3.8553 3.9359 3.9359 5.2074 5.2074 5.2393 5.2393 13.4688 13.4688 13.4795 13.4795 14.2578 14.2578 14.2689 14.2689 k = 0.4714 0.6837-0.0800 ( 2752 PWs) bands (ev): -17.9231 -17.9231 -17.9201 -17.9201 -17.8190 -17.8190 -17.8190 -17.8190 -1.4866 -1.4866 -1.4833 -1.4833 -0.8132 -0.8132 -0.8072 -0.8072 -0.3691 -0.3691 -0.3647 -0.3647 0.2360 0.2360 0.2680 0.2680 0.9854 0.9854 0.9857 0.9857 1.6058 1.6058 1.6237 1.6237 3.1121 3.1121 3.1292 3.1292 3.3527 3.3527 3.4276 3.4276 3.7338 3.7338 3.7788 3.7788 3.8555 3.8555 3.9358 3.9358 5.2045 5.2045 5.2364 5.2364 13.4514 13.4514 13.4621 13.4621 14.2793 14.2793 14.2903 14.2903 k = 0.4571 0.6837-0.0800 ( 2752 PWs) bands (ev): -17.9249 -17.9249 -17.9219 -17.9219 -17.8173 -17.8173 -17.8172 -17.8172 -1.4841 -1.4841 -1.4809 -1.4809 -0.8197 -0.8197 -0.8137 -0.8137 -0.3602 -0.3602 -0.3558 -0.3558 0.2335 0.2335 0.2655 0.2655 0.9862 0.9862 0.9863 0.9863 1.5999 1.5999 1.6177 1.6177 3.1168 3.1168 3.1335 3.1335 3.3532 3.3532 3.4283 3.4283 3.7346 3.7346 3.7801 3.7801 3.8560 3.8560 3.9357 3.9357 5.1996 5.1996 5.2315 5.2315 13.4244 13.4244 13.4351 13.4351 14.3131 14.3131 14.3240 14.3240 k = 0.4429 0.6837-0.0800 ( 2756 PWs) bands (ev): -17.9272 -17.9272 -17.9243 -17.9243 -17.8149 -17.8149 -17.8148 -17.8148 -1.4808 -1.4808 -1.4775 -1.4775 -0.8283 -0.8283 -0.8224 -0.8224 -0.3483 -0.3483 -0.3440 -0.3440 0.2300 0.2300 0.2620 0.2620 0.9871 0.9871 0.9873 0.9873 1.5918 1.5918 1.6095 1.6095 3.1233 3.1233 3.1395 3.1395 3.3539 3.3539 3.4292 3.4292 3.7358 3.7358 3.7819 3.7819 3.8566 3.8566 3.9354 3.9354 5.1928 5.1928 5.2247 5.2247 13.3900 13.3900 13.4007 13.4007 14.3570 14.3570 14.3676 14.3676 k = 0.4286 0.6837-0.0800 ( 2760 PWs) bands (ev): -17.9301 -17.9301 -17.9273 -17.9273 -17.8121 -17.8121 -17.8119 -17.8119 -1.4765 -1.4765 -1.4732 -1.4732 -0.8385 -0.8385 -0.8327 -0.8327 -0.3339 -0.3339 -0.3296 -0.3296 0.2257 0.2257 0.2577 0.2577 0.9880 0.9880 0.9885 0.9885 1.5818 1.5818 1.5992 1.5992 3.1315 3.1315 3.1470 3.1470 3.3549 3.3549 3.4304 3.4304 3.7372 3.7372 3.7841 3.7841 3.8575 3.8575 3.9352 3.9352 5.1841 5.1841 5.2161 5.2161 13.3503 13.3503 13.3610 13.3610 14.4087 14.4087 14.4191 14.4191 k = 0.4143 0.6837-0.0800 ( 2760 PWs) bands (ev): -17.9333 -17.9333 -17.9306 -17.9306 -17.8088 -17.8088 -17.8085 -17.8085 -1.4714 -1.4714 -1.4680 -1.4680 -0.8500 -0.8500 -0.8443 -0.8443 -0.3172 -0.3172 -0.3130 -0.3130 0.2207 0.2207 0.2527 0.2527 0.9888 0.9888 0.9897 0.9897 1.5699 1.5699 1.5871 1.5871 3.1412 3.1412 3.1559 3.1559 3.3560 3.3560 3.4319 3.4319 3.7388 3.7388 3.7869 3.7869 3.8587 3.8587 3.9349 3.9349 5.1735 5.1735 5.2056 5.2056 13.3071 13.3071 13.3177 13.3177 14.4665 14.4665 14.4766 14.4766 k = 0.4000 0.6837-0.0800 ( 2766 PWs) bands (ev): -17.9369 -17.9369 -17.9343 -17.9343 -17.8052 -17.8052 -17.8049 -17.8049 -1.4654 -1.4654 -1.4620 -1.4620 -0.8624 -0.8624 -0.8569 -0.8569 -0.2989 -0.2989 -0.2948 -0.2948 0.2150 0.2150 0.2470 0.2470 0.9892 0.9892 0.9907 0.9907 1.5566 1.5566 1.5734 1.5734 3.1522 3.1522 3.1660 3.1660 3.3574 3.3574 3.4336 3.4336 3.7406 3.7406 3.7901 3.7901 3.8602 3.8602 3.9347 3.9347 5.1611 5.1611 5.1932 5.1932 13.2617 13.2617 13.2722 13.2722 14.5289 14.5289 14.5387 14.5387 k = 0.3857 0.6837-0.0800 ( 2766 PWs) bands (ev): -17.9408 -17.9408 -17.9383 -17.9383 -17.8014 -17.8014 -17.8010 -17.8010 -1.4587 -1.4587 -1.4553 -1.4553 -0.8754 -0.8754 -0.8699 -0.8699 -0.2793 -0.2793 -0.2752 -0.2752 0.2088 0.2088 0.2409 0.2409 0.9893 0.9893 0.9914 0.9914 1.5420 1.5420 1.5583 1.5583 3.1646 3.1646 3.1773 3.1773 3.3590 3.3590 3.4356 3.4356 3.7425 3.7425 3.7937 3.7937 3.8623 3.8623 3.9345 3.9345 5.1469 5.1469 5.1792 5.1792 13.2151 13.2151 13.2255 13.2255 14.5946 14.5946 14.6040 14.6040 k = 0.3714 0.6837-0.0800 ( 2764 PWs) bands (ev): -17.9448 -17.9448 -17.9424 -17.9424 -17.7974 -17.7974 -17.7969 -17.7969 -1.4512 -1.4512 -1.4478 -1.4478 -0.8885 -0.8885 -0.8832 -0.8832 -0.2588 -0.2588 -0.2548 -0.2548 0.2023 0.2023 0.2343 0.2343 0.9886 0.9886 0.9915 0.9915 1.5264 1.5264 1.5423 1.5423 3.1780 3.1780 3.1895 3.1895 3.3609 3.3609 3.4380 3.4380 3.7444 3.7444 3.7976 3.7976 3.8649 3.8649 3.9345 3.9345 5.1311 5.1311 5.1634 5.1634 13.1682 13.1682 13.1785 13.1785 14.6629 14.6629 14.6719 14.6719 k = 0.3571 0.6837-0.0800 ( 2766 PWs) bands (ev): -17.9489 -17.9489 -17.9466 -17.9466 -17.7932 -17.7932 -17.7927 -17.7927 -1.4431 -1.4431 -1.4397 -1.4397 -0.9015 -0.9015 -0.8964 -0.8964 -0.2377 -0.2377 -0.2337 -0.2337 0.1957 0.1957 0.2276 0.2276 0.9871 0.9871 0.9908 0.9908 1.5103 1.5103 1.5255 1.5255 3.1923 3.1923 3.2025 3.2025 3.3630 3.3630 3.4406 3.4406 3.7462 3.7462 3.8019 3.8019 3.8681 3.8681 3.9347 3.9347 5.1136 5.1136 5.1460 5.1460 13.1215 13.1215 13.1316 13.1316 14.7328 14.7328 14.7414 14.7414 k = 0.3429 0.6837-0.0800 ( 2762 PWs) bands (ev): -17.9531 -17.9531 -17.9510 -17.9510 -17.7890 -17.7890 -17.7885 -17.7885 -1.4346 -1.4346 -1.4312 -1.4312 -0.9142 -0.9142 -0.9093 -0.9093 -0.2163 -0.2163 -0.2124 -0.2124 0.1891 0.1891 0.2209 0.2209 0.9845 0.9845 0.9892 0.9892 1.4940 1.4940 1.5084 1.5084 3.2073 3.2073 3.2161 3.2161 3.3653 3.3653 3.4436 3.4436 3.7478 3.7478 3.8063 3.8063 3.8721 3.8721 3.9352 3.9352 5.0945 5.0945 5.1270 5.1270 13.0755 13.0755 13.0854 13.0854 14.8039 14.8039 14.8120 14.8120 k = 0.3286 0.6837-0.0800 ( 2762 PWs) bands (ev): -17.9574 -17.9574 -17.9553 -17.9553 -17.7848 -17.7848 -17.7842 -17.7842 -1.4256 -1.4256 -1.4222 -1.4222 -0.9264 -0.9264 -0.9217 -0.9217 -0.1951 -0.1951 -0.1912 -0.1912 0.1827 0.1827 0.2143 0.2143 0.9806 0.9806 0.9863 0.9863 1.4778 1.4778 1.4913 1.4913 3.2229 3.2229 3.2301 3.2301 3.3679 3.3679 3.4469 3.4469 3.7492 3.7492 3.8109 3.8109 3.8769 3.8769 3.9361 3.9361 5.0740 5.0740 5.1065 5.1065 13.0303 13.0303 13.0400 13.0400 14.8755 14.8755 14.8832 14.8832 k = 0.3143 0.6837-0.0800 ( 2760 PWs) bands (ev): -17.9616 -17.9616 -17.9596 -17.9596 -17.7805 -17.7805 -17.7799 -17.7799 -1.4163 -1.4163 -1.4129 -1.4129 -0.9378 -0.9378 -0.9334 -0.9334 -0.1744 -0.1744 -0.1703 -0.1703 0.1768 0.1768 0.2081 0.2081 0.9752 0.9752 0.9821 0.9821 1.4620 1.4620 1.4745 1.4745 3.2388 3.2388 3.2443 3.2443 3.3708 3.3708 3.4506 3.4506 3.7502 3.7502 3.8153 3.8153 3.8827 3.8827 3.9376 3.9376 5.0521 5.0521 5.0847 5.0847 12.9864 12.9864 12.9959 12.9959 14.9472 14.9472 14.9543 14.9543 k = 0.3000 0.6837-0.0800 ( 2756 PWs) bands (ev): -17.9658 -17.9658 -17.9639 -17.9639 -17.7763 -17.7763 -17.7757 -17.7757 -1.4068 -1.4068 -1.4035 -1.4035 -0.9484 -0.9484 -0.9442 -0.9442 -0.1545 -0.1545 -0.1503 -0.1503 0.1718 0.1718 0.2026 0.2026 0.9681 0.9681 0.9762 0.9762 1.4469 1.4469 1.4584 1.4584 3.2548 3.2548 3.2585 3.2585 3.3741 3.3741 3.4547 3.4547 3.7509 3.7509 3.8196 3.8196 3.8894 3.8894 3.9399 3.9399 5.0288 5.0288 5.0615 5.0615 12.9439 12.9439 12.9531 12.9531 15.0184 15.0184 15.0250 15.0250 k = 0.2857 0.6837-0.0800 ( 2762 PWs) bands (ev): -17.9700 -17.9700 -17.9682 -17.9682 -17.7721 -17.7721 -17.7715 -17.7715 -1.3974 -1.3974 -1.3941 -1.3941 -0.9578 -0.9578 -0.9540 -0.9540 -0.1358 -0.1358 -0.1313 -0.1313 0.1678 0.1678 0.1980 0.1980 0.9592 0.9592 0.9685 0.9685 1.4328 1.4328 1.4432 1.4432 3.2707 3.2707 3.2725 3.2725 3.3778 3.3778 3.4594 3.4594 3.7511 3.7511 3.8234 3.8234 3.8971 3.8971 3.9431 3.9431 5.0044 5.0044 5.0371 5.0371 12.9030 12.9030 12.9119 12.9119 15.0887 15.0887 15.0948 15.0948 k = 0.2714 0.6837-0.0800 ( 2758 PWs) bands (ev): -17.9740 -17.9740 -17.9723 -17.9723 -17.7681 -17.7681 -17.7674 -17.7674 -1.3881 -1.3881 -1.3849 -1.3849 -0.9660 -0.9660 -0.9626 -0.9626 -0.1188 -0.1188 -0.1137 -0.1137 0.1653 0.1653 0.1946 0.1946 0.9485 0.9485 0.9591 0.9591 1.4199 1.4199 1.4291 1.4291 3.2862 3.2862 3.2862 3.2862 3.3823 3.3823 3.4647 3.4647 3.7508 3.7508 3.8265 3.8265 3.9059 3.9059 3.9475 3.9475 4.9789 4.9789 5.0116 5.0116 12.8637 12.8637 12.8723 12.8723 15.1578 15.1578 15.1633 15.1633 k = 0.2571 0.6837-0.0800 ( 2764 PWs) bands (ev): -17.9780 -17.9780 -17.9764 -17.9764 -17.7641 -17.7641 -17.7635 -17.7635 -1.3790 -1.3790 -1.3760 -1.3760 -0.9729 -0.9729 -0.9698 -0.9698 -0.1038 -0.1038 -0.0980 -0.0980 0.1645 0.1645 0.1926 0.1926 0.9361 0.9361 0.9479 0.9479 1.4083 1.4083 1.4163 1.4163 3.2993 3.2993 3.3010 3.3010 3.3875 3.3875 3.4706 3.4706 3.7501 3.7501 3.8289 3.8289 3.9156 3.9156 3.9531 3.9531 4.9525 4.9525 4.9851 4.9851 12.8262 12.8262 12.8344 12.8344 15.2250 15.2250 15.2300 15.2300 k = 0.2429 0.6837-0.0800 ( 2768 PWs) bands (ev): -17.9818 -17.9818 -17.9803 -17.9803 -17.7603 -17.7603 -17.7597 -17.7597 -1.3705 -1.3705 -1.3676 -1.3676 -0.9783 -0.9783 -0.9757 -0.9757 -0.0912 -0.0912 -0.0844 -0.0844 0.1658 0.1658 0.1924 0.1924 0.9221 0.9221 0.9349 0.9349 1.3981 1.3981 1.4049 1.4049 3.3117 3.3117 3.3148 3.3148 3.3937 3.3937 3.4772 3.4772 3.7489 3.7489 3.8303 3.8303 3.9264 3.9264 3.9602 3.9602 4.9251 4.9251 4.9577 4.9577 12.7905 12.7905 12.7984 12.7984 15.2901 15.2901 15.2945 15.2945 k = 0.2286 0.6837-0.0800 ( 2770 PWs) bands (ev): -17.9855 -17.9855 -17.9841 -17.9841 -17.7566 -17.7566 -17.7560 -17.7560 -1.3625 -1.3625 -1.3599 -1.3599 -0.9821 -0.9821 -0.9799 -0.9799 -0.0812 -0.0812 -0.0732 -0.0732 0.1692 0.1692 0.1941 0.1941 0.9066 0.9066 0.9204 0.9204 1.3892 1.3892 1.3949 1.3949 3.3232 3.3232 3.3271 3.3271 3.4014 3.4014 3.4847 3.4847 3.7474 3.7474 3.8308 3.8308 3.9382 3.9382 3.9687 3.9687 4.8972 4.8972 4.9296 4.9296 12.7567 12.7567 12.7642 12.7642 15.3526 15.3526 15.3564 15.3564 k = 0.2143 0.6837-0.0800 ( 2770 PWs) bands (ev): -17.9890 -17.9890 -17.9877 -17.9877 -17.7531 -17.7531 -17.7525 -17.7525 -1.3553 -1.3553 -1.3529 -1.3529 -0.9843 -0.9843 -0.9826 -0.9826 -0.0738 -0.0738 -0.0645 -0.0645 0.1749 0.1749 0.1977 0.1977 0.8900 0.8900 0.9045 0.9045 1.3815 1.3815 1.3863 1.3863 3.3337 3.3337 3.3377 3.3377 3.4105 3.4105 3.4928 3.4928 3.7455 3.7455 3.8303 3.8303 3.9508 3.9508 3.9786 3.9786 4.8686 4.8686 4.9009 4.9009 12.7249 12.7249 12.7320 12.7320 15.4120 15.4120 15.4152 15.4152 k = 0.2000 0.6837-0.0800 ( 2770 PWs) bands (ev): -17.9924 -17.9924 -17.9911 -17.9911 -17.7497 -17.7497 -17.7491 -17.7491 -1.3489 -1.3489 -1.3468 -1.3468 -0.9849 -0.9849 -0.9837 -0.9837 -0.0689 -0.0689 -0.0583 -0.0583 0.1826 0.1826 0.2032 0.2032 0.8725 0.8725 0.8875 0.8875 1.3750 1.3750 1.3789 1.3789 3.3430 3.3430 3.3465 3.3465 3.4212 3.4212 3.5018 3.5018 3.7433 3.7433 3.8289 3.8289 3.9643 3.9643 3.9899 3.9899 4.8397 4.8397 4.8717 4.8717 12.6950 12.6950 12.7018 12.7018 15.4681 15.4681 15.4707 15.4707 k = 0.1857 0.6837-0.0800 ( 2774 PWs) bands (ev): -17.9955 -17.9955 -17.9944 -17.9944 -17.7465 -17.7465 -17.7460 -17.7460 -1.3435 -1.3435 -1.3415 -1.3415 -0.9840 -0.9840 -0.9833 -0.9833 -0.0663 -0.0663 -0.0545 -0.0545 0.1919 0.1919 0.2103 0.2103 0.8545 0.8545 0.8698 0.8698 1.3695 1.3695 1.3726 1.3726 3.3513 3.3513 3.3536 3.3536 3.4332 3.4332 3.5114 3.5114 3.7409 3.7409 3.8265 3.8265 3.9786 3.9786 4.0024 4.0024 4.8105 4.8105 4.8421 4.8421 12.6672 12.6672 12.6735 12.6735 15.5204 15.5204 15.5226 15.5226 k = 0.1714 0.6837-0.0800 ( 2778 PWs) bands (ev): -17.9985 -17.9985 -17.9974 -17.9974 -17.7435 -17.7435 -17.7430 -17.7430 -1.3389 -1.3389 -1.3372 -1.3372 -0.9816 -0.9816 -0.9814 -0.9814 -0.0655 -0.0655 -0.0528 -0.0528 0.2023 0.2023 0.2187 0.2187 0.8364 0.8364 0.8518 0.8518 1.3648 1.3648 1.3673 1.3673 3.3584 3.3584 3.3594 3.3594 3.4460 3.4460 3.5215 3.5215 3.7383 3.7383 3.8234 3.8234 3.9936 3.9936 4.0160 4.0160 4.7813 4.7813 4.8124 4.8124 12.6414 12.6414 12.6473 12.6473 15.5687 15.5687 15.5705 15.5705 k = 0.1571 0.6837-0.0800 ( 2782 PWs) bands (ev): -18.0013 -18.0013 -18.0003 -18.0003 -17.7407 -17.7407 -17.7403 -17.7403 -1.3352 -1.3352 -1.3338 -1.3338 -0.9782 -0.9782 -0.9780 -0.9780 -0.0661 -0.0661 -0.0527 -0.0527 0.2135 0.2135 0.2279 0.2279 0.8184 0.8184 0.8337 0.8337 1.3609 1.3609 1.3629 1.3629 3.3641 3.3641 3.3644 3.3644 3.4594 3.4594 3.5319 3.5319 3.7356 3.7356 3.8195 3.8195 4.0093 4.0093 4.0304 4.0304 4.7522 4.7522 4.7827 4.7827 12.6176 12.6176 12.6231 12.6231 15.6129 15.6129 15.6142 15.6142 k = 0.1429 0.6837-0.0800 ( 2782 PWs) bands (ev): -18.0038 -18.0038 -18.0029 -18.0029 -17.7382 -17.7382 -17.7377 -17.7377 -1.3324 -1.3324 -1.3313 -1.3313 -0.9739 -0.9739 -0.9734 -0.9734 -0.0677 -0.0677 -0.0540 -0.0540 0.2249 0.2249 0.2374 0.2374 0.8011 0.8011 0.8159 0.8159 1.3577 1.3577 1.3592 1.3592 3.3681 3.3681 3.3695 3.3695 3.4730 3.4730 3.5424 3.5424 3.7331 3.7331 3.8151 3.8151 4.0254 4.0254 4.0456 4.0456 4.7235 4.7235 4.7533 4.7533 12.5959 12.5959 12.6009 12.6009 15.6527 15.6527 15.6537 15.6537 k = 0.1286 0.6837-0.0800 ( 2778 PWs) bands (ev): -18.0061 -18.0061 -18.0053 -18.0053 -17.7358 -17.7358 -17.7354 -17.7354 -1.3303 -1.3303 -1.3294 -1.3294 -0.9688 -0.9688 -0.9680 -0.9680 -0.0699 -0.0699 -0.0563 -0.0563 0.2362 0.2362 0.2470 0.2470 0.7846 0.7846 0.7987 0.7987 1.3549 1.3549 1.3561 1.3561 3.3715 3.3715 3.3738 3.3738 3.4865 3.4865 3.5526 3.5526 3.7307 3.7307 3.8100 3.8100 4.0420 4.0420 4.0613 4.0613 4.6955 4.6955 4.7243 4.7243 12.5763 12.5763 12.5808 12.5808 15.6882 15.6882 15.6888 15.6888 k = 0.1143 0.6837-0.0800 ( 2780 PWs) bands (ev): -18.0082 -18.0082 -18.0075 -18.0075 -17.7337 -17.7337 -17.7333 -17.7333 -1.3289 -1.3289 -1.3281 -1.3281 -0.9632 -0.9632 -0.9622 -0.9622 -0.0725 -0.0725 -0.0593 -0.0593 0.2469 0.2469 0.2563 0.2563 0.7692 0.7692 0.7824 0.7824 1.3526 1.3526 1.3536 1.3536 3.3744 3.3744 3.3772 3.3772 3.4998 3.4998 3.5621 3.5621 3.7287 3.7287 3.8043 3.8043 4.0587 4.0587 4.0772 4.0772 4.6685 4.6685 4.6961 4.6961 12.5588 12.5588 12.5628 12.5628 15.7193 15.7193 15.7197 15.7197 k = 0.1000 0.6837-0.0800 ( 2780 PWs) bands (ev): -18.0101 -18.0101 -18.0094 -18.0094 -17.7318 -17.7318 -17.7315 -17.7315 -1.3279 -1.3279 -1.3274 -1.3274 -0.9573 -0.9573 -0.9562 -0.9562 -0.0751 -0.0751 -0.0627 -0.0627 0.2569 0.2569 0.2648 0.2648 0.7553 0.7553 0.7674 0.7674 1.3507 1.3507 1.3514 1.3514 3.3769 3.3769 3.3800 3.3800 3.5126 3.5126 3.5707 3.5707 3.7273 3.7273 3.7982 3.7982 4.0754 4.0754 4.0929 4.0929 4.6429 4.6429 4.6688 4.6688 12.5434 12.5434 12.5469 12.5469 15.7462 15.7462 15.7464 15.7464 k = 0.0857 0.6837-0.0800 ( 2784 PWs) bands (ev): -18.0117 -18.0117 -18.0111 -18.0111 -17.7301 -17.7301 -17.7298 -17.7298 -1.3274 -1.3274 -1.3270 -1.3270 -0.9515 -0.9515 -0.9503 -0.9503 -0.0776 -0.0776 -0.0663 -0.0663 0.2659 0.2659 0.2725 0.2725 0.7430 0.7430 0.7538 0.7538 1.3491 1.3491 1.3496 1.3496 3.3790 3.3790 3.3822 3.3822 3.5249 3.5249 3.5780 3.5780 3.7268 3.7268 3.7917 3.7917 4.0918 4.0918 4.1082 4.1082 4.6190 4.6190 4.6430 4.6430 12.5300 12.5300 12.5331 12.5331 15.7689 15.7689 15.7690 15.7690 k = 0.0714 0.6837-0.0800 ( 2782 PWs) bands (ev): -18.0130 -18.0130 -18.0126 -18.0126 -17.7287 -17.7287 -17.7285 -17.7285 -1.3271 -1.3271 -1.3268 -1.3268 -0.9460 -0.9460 -0.9448 -0.9448 -0.0798 -0.0798 -0.0699 -0.0699 0.2738 0.2738 0.2792 0.2792 0.7325 0.7325 0.7418 0.7418 1.3478 1.3478 1.3482 1.3482 3.3809 3.3809 3.3839 3.3839 3.5365 3.5365 3.5835 3.5835 3.7274 3.7274 3.7848 3.7848 4.1076 4.1076 4.1225 4.1225 4.5975 4.5975 4.6190 4.6190 12.5187 12.5187 12.5213 12.5213 15.7878 15.7878 15.7878 15.7878 k = 0.0571 0.6837-0.0800 ( 2780 PWs) bands (ev): -18.0142 -18.0142 -18.0138 -18.0138 -17.7275 -17.7275 -17.7274 -17.7274 -1.3270 -1.3270 -1.3268 -1.3268 -0.9411 -0.9411 -0.9400 -0.9400 -0.0815 -0.0815 -0.0733 -0.0733 0.2805 0.2805 0.2846 0.2846 0.7240 0.7240 0.7316 0.7316 1.3468 1.3468 1.3470 1.3470 3.3825 3.3825 3.3851 3.3851 3.5473 3.5473 3.5871 3.5871 3.7292 3.7292 3.7776 3.7776 4.1222 4.1222 4.1352 4.1352 4.5790 4.5790 4.5975 4.5975 12.5096 12.5096 12.5116 12.5116 15.8028 15.8028 15.8028 15.8028 k = 0.0429 0.6837-0.0800 ( 2782 PWs) bands (ev): -18.0150 -18.0150 -18.0147 -18.0147 -17.7266 -17.7266 -17.7265 -17.7265 -1.3271 -1.3271 -1.3269 -1.3269 -0.9369 -0.9369 -0.9361 -0.9361 -0.0827 -0.0827 -0.0763 -0.0763 0.2858 0.2858 0.2888 0.2888 0.7175 0.7175 0.7233 0.7233 1.3460 1.3460 1.3461 1.3461 3.3838 3.3838 3.3859 3.3859 3.5573 3.5573 3.5884 3.5884 3.7324 3.7324 3.7703 3.7703 4.1351 4.1351 4.1457 4.1457 4.5642 4.5642 4.5789 4.5789 12.5025 12.5025 12.5041 12.5041 15.8142 15.8142 15.8143 15.8143 k = 0.0286 0.6837-0.0800 ( 2784 PWs) bands (ev): -18.0156 -18.0156 -18.0154 -18.0154 -17.7260 -17.7260 -17.7259 -17.7259 -1.3271 -1.3271 -1.3270 -1.3270 -0.9338 -0.9338 -0.9332 -0.9332 -0.0833 -0.0833 -0.0789 -0.0789 0.2897 0.2897 0.2917 0.2917 0.7131 0.7131 0.7170 0.7170 1.3454 1.3454 1.3455 1.3455 3.3849 3.3849 3.3863 3.3863 3.5662 3.5662 3.5876 3.5876 3.7368 3.7368 3.7629 3.7629 4.1456 4.1456 4.1531 4.1531 4.5537 4.5537 4.5640 4.5640 12.4975 12.4975 12.4986 12.4986 15.8223 15.8223 15.8224 15.8224 k = 0.0143 0.6837-0.0800 ( 2790 PWs) bands (ev): -18.0160 -18.0160 -18.0159 -18.0159 -17.7256 -17.7256 -17.7255 -17.7255 -1.3272 -1.3272 -1.3271 -1.3271 -0.9318 -0.9318 -0.9315 -0.9315 -0.0832 -0.0832 -0.0810 -0.0810 0.2923 0.2923 0.2933 0.2933 0.7109 0.7109 0.7129 0.7129 1.3451 1.3451 1.3451 1.3451 3.3857 3.3857 3.3864 3.3864 3.5738 3.5738 3.5848 3.5848 3.7423 3.7423 3.7556 3.7556 4.1531 4.1531 4.1570 4.1570 4.5483 4.5483 4.5536 4.5536 12.4947 12.4947 12.4952 12.4952 15.8271 15.8271 15.8272 15.8272 k = 0.0000 0.6837-0.0800 ( 2788 PWs) bands (ev): -18.0160 -18.0160 -18.0160 -18.0160 -17.7254 -17.7254 -17.7254 -17.7254 -1.3272 -1.3272 -1.3272 -1.3272 -0.9310 -0.9310 -0.9310 -0.9310 -0.0824 -0.0824 -0.0824 -0.0824 0.2935 0.2935 0.2935 0.2935 0.7108 0.7108 0.7108 0.7108 1.3450 1.3450 1.3450 1.3450 3.3862 3.3862 3.3862 3.3862 3.5801 3.5801 3.5801 3.5801 3.7487 3.7487 3.7487 3.7487 4.1571 4.1571 4.1571 4.1571 4.5483 4.5483 4.5483 4.5483 12.4939 12.4939 12.4939 12.4939 15.8287 15.8287 15.8287 15.8287 k = 0.0000 0.6837-0.0800 ( 2788 PWs) bands (ev): -18.0160 -18.0160 -18.0160 -18.0160 -17.7254 -17.7254 -17.7254 -17.7254 -1.3272 -1.3272 -1.3272 -1.3272 -0.9310 -0.9310 -0.9310 -0.9310 -0.0824 -0.0824 -0.0824 -0.0824 0.2935 0.2935 0.2935 0.2935 0.7108 0.7108 0.7108 0.7108 1.3450 1.3450 1.3450 1.3450 3.3862 3.3862 3.3862 3.3862 3.5801 3.5801 3.5801 3.5801 3.7487 3.7487 3.7487 3.7487 4.1571 4.1571 4.1571 4.1571 4.5483 4.5483 4.5483 4.5483 12.4939 12.4939 12.4939 12.4939 15.8287 15.8287 15.8287 15.8287 k = 0.0000 0.6854-0.0660 ( 2788 PWs) bands (ev): -18.0172 -18.0172 -18.0146 -18.0146 -17.7304 -17.7304 -17.7206 -17.7206 -1.3317 -1.3317 -1.3226 -1.3226 -0.9448 -0.9448 -0.9176 -0.9176 -0.0842 -0.0842 -0.0817 -0.0817 0.2765 0.2765 0.3101 0.3101 0.7074 0.7074 0.7165 0.7165 1.3385 1.3385 1.3515 1.3515 3.3843 3.3843 3.3878 3.3878 3.5699 3.5699 3.5892 3.5892 3.7414 3.7414 3.7561 3.7561 4.1482 4.1482 4.1628 4.1628 4.5283 4.5283 4.5728 4.5728 12.4923 12.4923 12.4973 12.4973 15.7717 15.7717 15.8844 15.8844 k = 0.0000 0.6870-0.0521 ( 2785 PWs) bands (ev): -18.0182 -18.0182 -18.0130 -18.0130 -17.7356 -17.7356 -17.7161 -17.7161 -1.3363 -1.3363 -1.3178 -1.3178 -0.9588 -0.9588 -0.9049 -0.9049 -0.0871 -0.0871 -0.0822 -0.0822 0.2591 0.2591 0.3264 0.3264 0.7060 0.7060 0.7247 0.7247 1.3322 1.3322 1.3580 1.3580 3.3823 3.3823 3.3893 3.3893 3.5588 3.5588 3.5969 3.5969 3.7346 3.7346 3.7634 3.7634 4.1371 4.1371 4.1647 4.1647 4.5136 4.5136 4.6009 4.6009 12.4925 12.4925 12.5027 12.5027 15.7132 15.7132 15.9388 15.9388 k = 0.0000 0.6886-0.0382 ( 2788 PWs) bands (ev): -18.0189 -18.0189 -18.0111 -18.0111 -17.7411 -17.7411 -17.7118 -17.7118 -1.3412 -1.3412 -1.3127 -1.3127 -0.9726 -0.9726 -0.8931 -0.8931 -0.0911 -0.0911 -0.0838 -0.0838 0.2411 0.2411 0.3424 0.3424 0.7064 0.7064 0.7356 0.7356 1.3260 1.3260 1.3643 1.3643 3.3801 3.3801 3.3906 3.3906 3.5468 3.5468 3.6030 3.6030 3.7283 3.7283 3.7707 3.7707 4.1243 4.1243 4.1621 4.1621 4.5047 4.5047 4.6320 4.6320 12.4946 12.4946 12.5100 12.5100 15.6533 15.6533 15.9917 15.9917 k = 0.0000 0.6903-0.0242 ( 2794 PWs) bands (ev): -18.0194 -18.0194 -18.0090 -18.0090 -17.7467 -17.7467 -17.7077 -17.7077 -1.3466 -1.3466 -1.3071 -1.3071 -0.9861 -0.9861 -0.8824 -0.8824 -0.0959 -0.0959 -0.0864 -0.0864 0.2223 0.2223 0.3581 0.3581 0.7083 0.7083 0.7492 0.7492 1.3202 1.3202 1.3705 1.3705 3.3777 3.3777 3.3916 3.3916 3.5342 3.5342 3.6070 3.6070 3.7231 3.7231 3.7777 3.7777 4.1103 4.1103 4.1551 4.1551 4.5018 4.5018 4.6653 4.6653 12.4985 12.4985 12.5193 12.5193 15.5920 15.5920 16.0432 16.0432 k = 0.0000 0.6919-0.0103 ( 2792 PWs) bands (ev): -18.0197 -18.0197 -18.0067 -18.0067 -17.7526 -17.7526 -17.7039 -17.7039 -1.3527 -1.3527 -1.3011 -1.3011 -0.9988 -0.9988 -0.8728 -0.8728 -0.1015 -0.1015 -0.0897 -0.0897 0.2027 0.2027 0.3735 0.3735 0.7115 0.7115 0.7657 0.7657 1.3149 1.3149 1.3765 1.3765 3.3750 3.3750 3.3924 3.3924 3.5210 3.5210 3.6088 3.6088 3.7193 3.7193 3.7845 3.7845 4.0958 4.0958 4.1441 4.1441 4.5045 4.5045 4.7004 4.7004 12.5042 12.5042 12.5305 12.5305 15.5293 15.5293 16.0932 16.0932 k = 0.0000 0.6935 0.0036 ( 2792 PWs) bands (ev): -18.0197 -18.0197 -18.0042 -18.0042 -17.7586 -17.7586 -17.7002 -17.7002 -1.3596 -1.3596 -1.2944 -1.2944 -1.0105 -1.0105 -0.8646 -0.8646 -0.1076 -0.1076 -0.0935 -0.0935 0.1822 0.1822 0.3884 0.3884 0.7156 0.7156 0.7849 0.7849 1.3102 1.3102 1.3822 1.3822 3.3721 3.3721 3.3929 3.3929 3.5074 3.5074 3.6079 3.6079 3.7172 3.7172 3.7909 3.7909 4.0808 4.0808 4.1296 4.1296 4.5121 4.5121 4.7369 4.7369 12.5117 12.5117 12.5437 12.5437 15.4652 15.4652 16.1415 16.1415 k = 0.0000 0.6951 0.0176 ( 2788 PWs) bands (ev): -18.0194 -18.0194 -18.0015 -18.0015 -17.7649 -17.7649 -17.6968 -17.6968 -1.3677 -1.3677 -1.2871 -1.2871 -1.0208 -1.0208 -0.8578 -0.8578 -0.1143 -0.1143 -0.0975 -0.0975 0.1608 0.1608 0.4026 0.4026 0.7204 0.7204 0.8067 0.8067 1.3063 1.3063 1.3877 1.3877 3.3689 3.3689 3.3931 3.3931 3.4935 3.4935 3.6044 3.6044 3.7169 3.7169 3.7971 3.7971 4.0658 4.0658 4.1128 4.1128 4.5237 4.5237 4.7744 4.7744 12.5208 12.5208 12.5589 12.5589 15.3997 15.3997 16.1878 16.1878 k = 0.0000 0.6968 0.0315 ( 2788 PWs) bands (ev): -18.0190 -18.0190 -17.9987 -17.9987 -17.7714 -17.7714 -17.6937 -17.6937 -1.3771 -1.3771 -1.2792 -1.2792 -1.0294 -1.0294 -0.8524 -0.8524 -0.1215 -0.1215 -0.1014 -0.1014 0.1383 0.1383 0.4160 0.4160 0.7256 0.7256 0.8312 0.8312 1.3032 1.3032 1.3928 1.3928 3.3653 3.3653 3.3927 3.3927 3.4794 3.4794 3.5985 3.5985 3.7181 3.7181 3.8029 3.8029 4.0507 4.0507 4.0945 4.0945 4.5384 4.5384 4.8126 4.8126 12.5317 12.5317 12.5762 12.5762 15.3328 15.3328 16.2316 16.2316 k = 0.0000 0.6984 0.0454 ( 2782 PWs) bands (ev): -18.0182 -18.0182 -17.9956 -17.9956 -17.7780 -17.7780 -17.6907 -17.6907 -1.3880 -1.3880 -1.2704 -1.2704 -1.0363 -1.0363 -0.8486 -0.8486 -0.1292 -0.1292 -0.1050 -0.1050 0.1150 0.1150 0.4284 0.4284 0.7311 0.7311 0.8580 0.8580 1.3013 1.3013 1.3975 1.3975 3.3611 3.3611 3.3918 3.3918 3.4654 3.4654 3.5908 3.5908 3.7205 3.7205 3.8084 3.8084 4.0360 4.0360 4.0754 4.0754 4.5553 4.5553 4.8514 4.8514 12.5442 12.5442 12.5955 12.5955 15.2646 15.2646 16.2722 16.2722 k = 0.0000 0.7000 0.0594 ( 2779 PWs) bands (ev): -18.0173 -18.0173 -17.9924 -17.9924 -17.7848 -17.7848 -17.6880 -17.6880 -1.4002 -1.4002 -1.2610 -1.2610 -1.0411 -1.0411 -0.8462 -0.8462 -0.1372 -0.1372 -0.1082 -0.1082 0.0909 0.0909 0.4397 0.4397 0.7366 0.7366 0.8869 0.8869 1.3005 1.3005 1.4019 1.4019 3.3563 3.3563 3.3901 3.3901 3.4518 3.4518 3.5815 3.5815 3.7236 3.7236 3.8136 3.8136 4.0214 4.0214 4.0561 4.0561 4.5740 4.5740 4.8905 4.8905 12.5584 12.5584 12.6169 12.6169 15.1953 15.1953 16.3081 16.3081 k = 0.0000 0.7017 0.0733 ( 2780 PWs) bands (ev): -18.0161 -18.0161 -17.9890 -17.9890 -17.7918 -17.7918 -17.6855 -17.6855 -1.4140 -1.4140 -1.2508 -1.2508 -1.0440 -1.0440 -0.8453 -0.8453 -0.1456 -0.1456 -0.1108 -0.1108 0.0661 0.0661 0.4498 0.4498 0.7418 0.7418 0.9178 0.9178 1.3012 1.3012 1.4059 1.4059 3.3504 3.3504 3.3873 3.3873 3.4392 3.4392 3.5712 3.5712 3.7272 3.7272 3.8183 3.8183 4.0071 4.0071 4.0371 4.0371 4.5938 4.5938 4.9297 4.9297 12.5741 12.5741 12.6404 12.6404 15.1248 15.1248 16.3372 16.3372 k = 0.0000 0.7033 0.0872 ( 2774 PWs) bands (ev): -18.0146 -18.0146 -17.9855 -17.9855 -17.7990 -17.7990 -17.6832 -17.6832 -1.4290 -1.4290 -1.2397 -1.2397 -1.0448 -1.0448 -0.8457 -0.8457 -0.1542 -0.1542 -0.1130 -0.1130 0.0410 0.0410 0.4585 0.4585 0.7467 0.7467 0.9506 0.9506 1.3034 1.3034 1.4095 1.4095 3.3433 3.3433 3.3831 3.3831 3.4281 3.4281 3.5603 3.5603 3.7310 3.7310 3.8227 3.8227 3.9931 3.9931 4.0190 4.0190 4.6145 4.6145 4.9688 4.9688 12.5913 12.5913 12.6660 12.6660 15.0534 15.0534 16.3561 16.3561 k = 0.0000 0.7049 0.1012 ( 2777 PWs) bands (ev): -18.0130 -18.0130 -17.9818 -17.9818 -17.8064 -17.8064 -17.6811 -17.6811 -1.4453 -1.4453 -1.2279 -1.2279 -1.0438 -1.0438 -0.8474 -0.8474 -0.1631 -0.1631 -0.1151 -0.1151 0.0159 0.0159 0.4659 0.4659 0.7508 0.7508 0.9848 0.9848 1.3072 1.3072 1.4128 1.4128 3.3344 3.3344 3.3773 3.3773 3.4191 3.4191 3.5491 3.5491 3.7348 3.7348 3.8266 3.8266 3.9793 3.9793 4.0021 4.0021 4.6357 4.6357 5.0077 5.0077 12.6100 12.6100 12.6938 12.6938 14.9810 14.9810 16.3604 16.3604 k = 0.0000 0.7065 0.1151 ( 2771 PWs) bands (ev): -18.0111 -18.0111 -17.9781 -17.9781 -17.8138 -17.8138 -17.6792 -17.6792 -1.4625 -1.4625 -1.2153 -1.2153 -1.0411 -1.0411 -0.8503 -0.8503 -0.1722 -0.1722 -0.1179 -0.1179 -0.0081 -0.0081 0.4720 0.4720 0.7542 0.7542 1.0203 1.0203 1.3127 1.3127 1.4157 1.4157 3.3236 3.3236 3.3701 3.3701 3.4122 3.4122 3.5380 3.5380 3.7385 3.7385 3.8301 3.8301 3.9655 3.9655 3.9867 3.9867 4.6571 4.6571 5.0463 5.0463 12.6300 12.6300 12.7238 12.7238 14.9080 14.9080 16.3460 16.3460 k = 0.0000 0.7082 0.1290 ( 2769 PWs) bands (ev): -18.0090 -18.0090 -17.9742 -17.9742 -17.8214 -17.8214 -17.6775 -17.6775 -1.4805 -1.4805 -1.2018 -1.2018 -1.0367 -1.0367 -0.8541 -0.8541 -0.1813 -0.1813 -0.1229 -0.1229 -0.0297 -0.0297 0.4767 0.4767 0.7565 0.7565 1.0569 1.0569 1.3199 1.3199 1.4182 1.4182 3.3106 3.3106 3.3621 3.3621 3.4068 3.4068 3.5272 3.5272 3.7419 3.7419 3.8331 3.8331 3.9518 3.9518 3.9731 3.9731 4.6786 4.6786 5.0843 5.0843 12.6513 12.6513 12.7559 12.7559 14.8345 14.8345 16.3119 16.3119 k = 0.0000 0.7098 0.1430 ( 2773 PWs) bands (ev): -18.0066 -18.0066 -17.9702 -17.9702 -17.8292 -17.8292 -17.6760 -17.6760 -1.4992 -1.4992 -1.1875 -1.1875 -1.0310 -1.0310 -0.8588 -0.8588 -0.1906 -0.1906 -0.1324 -0.1324 -0.0463 -0.0463 0.4801 0.4801 0.7579 0.7579 1.0943 1.0943 1.3287 1.3287 1.4204 1.4204 3.2957 3.2957 3.3536 3.3536 3.4023 3.4023 3.5169 3.5169 3.7450 3.7450 3.8355 3.8355 3.9383 3.9383 3.9613 3.9613 4.6998 4.6998 5.1217 5.1217 12.6737 12.6737 12.7903 12.7903 14.7607 14.7607 16.2609 16.2609 k = 0.0000 0.7114 0.1569 ( 2768 PWs) bands (ev): -18.0041 -18.0041 -17.9661 -17.9661 -17.8370 -17.8370 -17.6746 -17.6746 -1.5182 -1.5182 -1.1725 -1.1725 -1.0241 -1.0241 -0.8641 -0.8641 -0.2000 -0.2000 -0.1484 -0.1484 -0.0559 -0.0559 0.4824 0.4824 0.7581 0.7581 1.1324 1.1324 1.3391 1.3391 1.4223 1.4223 3.2792 3.2792 3.3447 3.3447 3.3985 3.3985 3.5074 3.5074 3.7477 3.7477 3.8373 3.8373 3.9253 3.9253 3.9513 3.9513 4.7207 4.7207 5.1584 5.1584 12.6972 12.6972 12.8268 12.8268 14.6869 14.6869 16.1975 16.1975 k = 0.0000 0.7131 0.1708 ( 2766 PWs) bands (ev): -18.0013 -18.0013 -17.9620 -17.9620 -17.8450 -17.8450 -17.6735 -17.6735 -1.5373 -1.5373 -1.1566 -1.1566 -1.0162 -1.0162 -0.8699 -0.8699 -0.2095 -0.2095 -0.1703 -0.1703 -0.0591 -0.0591 0.4836 0.4836 0.7572 0.7572 1.1709 1.1709 1.3508 1.3508 1.4240 1.4240 3.2616 3.2616 3.3352 3.3352 3.3948 3.3948 3.4987 3.4987 3.7500 3.7500 3.8385 3.8385 3.9131 3.9131 3.9428 3.9428 4.7411 4.7411 5.1942 5.1942 12.7215 12.7215 12.8656 12.8656 14.6133 14.6133 16.1260 16.1260 k = 0.0000 0.7147 0.1848 ( 2768 PWs) bands (ev): -17.9983 -17.9983 -17.9578 -17.9578 -17.8531 -17.8531 -17.6725 -17.6725 -1.5565 -1.5565 -1.1399 -1.1399 -1.0074 -1.0074 -0.8760 -0.8760 -0.2197 -0.2197 -0.1954 -0.1954 -0.0579 -0.0579 0.4838 0.4838 0.7553 0.7553 1.2094 1.2094 1.3638 1.3638 1.4256 1.4256 3.2430 3.2430 3.3251 3.3251 3.3914 3.3914 3.4910 3.4910 3.7518 3.7518 3.8389 3.8389 3.9018 3.9018 3.9357 3.9357 4.7609 4.7609 5.2289 5.2289 12.7464 12.7464 12.9066 12.9066 14.5403 14.5403 16.0492 16.0492 k = 0.0000 0.7163 0.1987 ( 2770 PWs) bands (ev): -17.9952 -17.9952 -17.9536 -17.9536 -17.8612 -17.8612 -17.6716 -17.6716 -1.5756 -1.5756 -1.1226 -1.1226 -0.9980 -0.9980 -0.8822 -0.8822 -0.2339 -0.2339 -0.2187 -0.2187 -0.0541 -0.0541 0.4831 0.4831 0.7524 0.7524 1.2477 1.2477 1.3777 1.3777 1.4272 1.4272 3.2239 3.2239 3.3143 3.3143 3.3881 3.3881 3.4843 3.4843 3.7531 3.7531 3.8386 3.8386 3.8918 3.8918 3.9300 3.9300 4.7799 4.7799 5.2626 5.2626 12.7716 12.7716 12.9498 12.9498 14.4683 14.4683 15.9691 15.9691 k = 0.0000 0.7179 0.2126 ( 2772 PWs) bands (ev): -17.9918 -17.9918 -17.9494 -17.9494 -17.8694 -17.8694 -17.6709 -17.6709 -1.5944 -1.5944 -1.1046 -1.1046 -0.9882 -0.9882 -0.8883 -0.8883 -0.2588 -0.2588 -0.2324 -0.2324 -0.0487 -0.0487 0.4816 0.4816 0.7487 0.7487 1.2853 1.2853 1.3924 1.3924 1.4292 1.4292 3.2042 3.2042 3.3028 3.3028 3.3850 3.3850 3.4784 3.4784 3.7540 3.7540 3.8374 3.8374 3.8830 3.8830 3.9255 3.9255 4.7980 4.7980 5.2950 5.2950 12.7968 12.7968 12.9953 12.9953 14.3976 14.3976 15.8870 15.8870 k = 0.0000 0.7196 0.2266 ( 2772 PWs) bands (ev): -17.9883 -17.9883 -17.9451 -17.9451 -17.8776 -17.8776 -17.6704 -17.6704 -1.6127 -1.6127 -1.0860 -1.0860 -0.9781 -0.9781 -0.8940 -0.8940 -0.2884 -0.2884 -0.2420 -0.2420 -0.0421 -0.0421 0.4795 0.4795 0.7442 0.7442 1.3212 1.3212 1.4075 1.4075 1.4322 1.4322 3.1843 3.1843 3.2909 3.2909 3.3820 3.3820 3.4734 3.4734 3.7543 3.7543 3.8355 3.8355 3.8756 3.8756 3.9222 3.9222 4.8152 4.8152 5.3262 5.3262 12.8216 12.8216 13.0429 13.0429 14.3289 14.3289 15.8039 15.8039 k = 0.0000 0.7212 0.2405 ( 2770 PWs) bands (ev): -17.9847 -17.9847 -17.9409 -17.9409 -17.8858 -17.8858 -17.6700 -17.6700 -1.6306 -1.6306 -1.0670 -1.0670 -0.9678 -0.9678 -0.8992 -0.8992 -0.3192 -0.3192 -0.2506 -0.2506 -0.0347 -0.0347 0.4767 0.4767 0.7392 0.7392 1.3539 1.3539 1.4226 1.4226 1.4378 1.4378 3.1643 3.1643 3.2786 3.2786 3.3793 3.3793 3.4691 3.4691 3.7543 3.7543 3.8329 3.8329 3.8695 3.8695 3.9200 3.9200 4.8313 4.8313 5.3559 5.3559 12.8454 12.8454 13.0928 13.0928 14.2628 14.2628 15.7205 15.7205 k = 0.0000 0.7228 0.2544 ( 2772 PWs) bands (ev): -17.9809 -17.9809 -17.9367 -17.9367 -17.8940 -17.8940 -17.6696 -17.6696 -1.6478 -1.6478 -1.0478 -1.0478 -0.9576 -0.9576 -0.9035 -0.9035 -0.3505 -0.3505 -0.2586 -0.2586 -0.0268 -0.0268 0.4734 0.4734 0.7338 0.7338 1.3799 1.3799 1.4369 1.4369 1.4500 1.4500 3.1443 3.1443 3.2662 3.2662 3.3767 3.3767 3.4654 3.4654 3.7538 3.7538 3.8298 3.8298 3.8647 3.8647 3.9185 3.9185 4.8462 4.8462 5.3841 5.3841 12.8677 12.8677 13.1447 13.1447 14.1999 14.1999 15.6372 15.6372 k = 0.0000 0.7245 0.2683 ( 2769 PWs) bands (ev): -17.9771 -17.9771 -17.9326 -17.9326 -17.9022 -17.9022 -17.6694 -17.6694 -1.6644 -1.6644 -1.0289 -1.0289 -0.9477 -0.9477 -0.9062 -0.9062 -0.3820 -0.3820 -0.2660 -0.2660 -0.0186 -0.0186 0.4696 0.4696 0.7282 0.7282 1.3957 1.3957 1.4505 1.4505 1.4716 1.4716 3.1244 3.1244 3.2539 3.2539 3.3743 3.3743 3.4622 3.4622 3.7530 3.7530 3.8265 3.8265 3.8609 3.8609 3.9178 3.9178 4.8598 4.8598 5.4107 5.4107 12.8875 12.8875 13.1989 13.1989 14.1413 14.1413 15.5545 15.5545 k = 0.0000 0.7261 0.2823 ( 2772 PWs) bands (ev): -17.9732 -17.9732 -17.9286 -17.9286 -17.9102 -17.9102 -17.6693 -17.6693 -1.6802 -1.6802 -1.0110 -1.0110 -0.9382 -0.9382 -0.9067 -0.9067 -0.4135 -0.4135 -0.2727 -0.2727 -0.0101 -0.0101 0.4655 0.4655 0.7224 0.7224 1.4031 1.4031 1.4642 1.4642 1.4996 1.4996 3.1047 3.1047 3.2419 3.2419 3.3721 3.3721 3.4594 3.4594 3.7520 3.7520 3.8233 3.8233 3.8581 3.8581 3.9175 3.9175 4.8721 4.8721 5.4357 5.4357 12.9040 12.9040 13.2550 13.2550 14.0878 14.0878 15.4727 15.4727 k = 0.0000 0.7277 0.2962 ( 2770 PWs) bands (ev): -17.9694 -17.9694 -17.9248 -17.9248 -17.9177 -17.9177 -17.6692 -17.6692 -1.6951 -1.6951 -0.9954 -0.9954 -0.9293 -0.9293 -0.9036 -0.9036 -0.4450 -0.4450 -0.2788 -0.2788 -0.0016 -0.0016 0.4610 0.4610 0.7167 0.7167 1.4063 1.4063 1.4771 1.4771 1.5303 1.5303 3.0855 3.0855 3.2304 3.2304 3.3700 3.3700 3.4570 3.4570 3.7508 3.7508 3.8203 3.8203 3.8561 3.8561 3.9176 3.9176 4.8829 4.8829 5.4589 5.4589 12.9162 12.9162 13.3131 13.3131 14.0407 14.0407 15.3921 15.3921 k = 0.0000 0.7294 0.3101 ( 2768 PWs) bands (ev): -17.9660 -17.9660 -17.9257 -17.9257 -17.9202 -17.9202 -17.6692 -17.6692 -1.7092 -1.7092 -0.9834 -0.9834 -0.9212 -0.9212 -0.8956 -0.8956 -0.4763 -0.4763 -0.2840 -0.2840 0.0069 0.0069 0.4564 0.4564 0.7111 0.7111 1.4076 1.4076 1.4890 1.4890 1.5612 1.5612 3.0670 3.0670 3.2195 3.2195 3.3682 3.3682 3.4549 3.4549 3.7495 3.7495 3.8177 3.8177 3.8546 3.8546 3.9180 3.9180 4.8924 4.8924 5.4803 5.4803 12.9228 12.9228 13.3731 13.3731 14.0012 14.0012 15.3130 15.3130 k = 0.0000 0.7310 0.3241 ( 2766 PWs) bands (ev): -17.9635 -17.9635 -17.9317 -17.9317 -17.9167 -17.9167 -17.6692 -17.6692 -1.7223 -1.7223 -0.9755 -0.9755 -0.9139 -0.9139 -0.8820 -0.8820 -0.5073 -0.5073 -0.2884 -0.2884 0.0154 0.0154 0.4515 0.4515 0.7057 0.7057 1.4079 1.4079 1.4995 1.4995 1.5912 1.5912 3.0492 3.0492 3.2095 3.2095 3.3664 3.3664 3.4530 3.4530 3.7483 3.7483 3.8156 3.8156 3.8537 3.8537 3.9185 3.9185 4.9003 4.9003 5.4998 5.4998 12.9229 12.9229 13.4349 13.4349 13.9705 13.9705 15.2356 15.2356 k = 0.0000 0.7326 0.3380 ( 2771 PWs) bands (ev): -17.9629 -17.9629 -17.9357 -17.9357 -17.9132 -17.9132 -17.6693 -17.6693 -1.7345 -1.7345 -0.9712 -0.9712 -0.9077 -0.9077 -0.8636 -0.8636 -0.5380 -0.5380 -0.2917 -0.2917 0.0236 0.0236 0.4465 0.4465 0.7007 0.7007 1.4077 1.4077 1.5084 1.5084 1.6196 1.6196 3.0323 3.0323 3.2004 3.2004 3.3648 3.3648 3.4513 3.4513 3.7471 3.7471 3.8141 3.8141 3.8530 3.8530 3.9191 3.9191 4.9066 4.9066 5.5173 5.5173 12.9154 12.9154 13.4981 13.4981 13.9493 13.9493 15.1603 15.1603 k = 0.5000 0.6349 0.4979 ( 2776 PWs) bands (ev): -17.9777 -17.9777 -17.9771 -17.9771 -17.7571 -17.7571 -17.7568 -17.7568 -1.8906 -1.8906 -1.8895 -1.8895 -0.9308 -0.9308 -0.9286 -0.9286 -0.4000 -0.4000 -0.4000 -0.4000 0.4569 0.4569 0.4596 0.4596 1.2989 1.2989 1.3019 1.3019 1.8224 1.8224 1.8271 1.8271 3.3233 3.3233 3.3413 3.3413 3.4173 3.4173 3.4691 3.4691 3.6154 3.6154 3.6843 3.6843 4.0991 4.0991 4.1169 4.1169 4.8393 4.8393 4.8567 4.8567 13.0985 13.0985 13.0992 13.0992 15.4110 15.4110 15.4128 15.4128 k = 0.5000 0.6204 0.4979 ( 2776 PWs) bands (ev): -17.9776 -17.9776 -17.9771 -17.9771 -17.7583 -17.7583 -17.7580 -17.7580 -1.8904 -1.8904 -1.8894 -1.8894 -0.9338 -0.9338 -0.9314 -0.9314 -0.3853 -0.3853 -0.3852 -0.3852 0.4612 0.4612 0.4636 0.4636 1.2980 1.2980 1.3010 1.3010 1.8094 1.8094 1.8140 1.8140 3.3198 3.3198 3.3398 3.3398 3.4183 3.4183 3.4716 3.4716 3.6153 3.6153 3.6864 3.6864 4.1021 4.1021 4.1224 4.1224 4.8361 4.8361 4.8549 4.8549 13.0895 13.0895 13.0901 13.0901 15.3861 15.3861 15.4008 15.4008 k = 0.5000 0.6060 0.4979 ( 2774 PWs) bands (ev): -17.9778 -17.9778 -17.9773 -17.9773 -17.7596 -17.7596 -17.7592 -17.7592 -1.8899 -1.8899 -1.8889 -1.8889 -0.9363 -0.9363 -0.9336 -0.9336 -0.3694 -0.3694 -0.3692 -0.3692 0.4664 0.4664 0.4685 0.4685 1.2963 1.2963 1.2993 1.2993 1.7946 1.7946 1.7992 1.7992 3.3162 3.3162 3.3382 3.3382 3.4197 3.4197 3.4739 3.4739 3.6155 3.6155 3.6883 3.6883 4.1062 4.1062 4.1290 4.1290 4.8326 4.8326 4.8527 4.8527 13.0770 13.0770 13.0777 13.0777 15.3256 15.3256 15.3411 15.3411 k = 0.5000 0.5916 0.4979 ( 2772 PWs) bands (ev): -17.9782 -17.9782 -17.9777 -17.9777 -17.7608 -17.7608 -17.7604 -17.7604 -1.8890 -1.8890 -1.8880 -1.8880 -0.9381 -0.9381 -0.9352 -0.9352 -0.3523 -0.3523 -0.3521 -0.3521 0.4726 0.4726 0.4743 0.4743 1.2939 1.2939 1.2968 1.2968 1.7782 1.7782 1.7827 1.7827 3.3124 3.3124 3.3365 3.3365 3.4213 3.4213 3.4760 3.4760 3.6161 3.6161 3.6902 3.6902 4.1115 4.1115 4.1369 4.1369 4.8286 4.8286 4.8502 4.8502 13.0613 13.0613 13.0620 13.0620 15.2546 15.2546 15.2688 15.2688 k = 0.5000 0.5771 0.4979 ( 2768 PWs) bands (ev): -17.9789 -17.9789 -17.9784 -17.9784 -17.7620 -17.7620 -17.7616 -17.7616 -1.8878 -1.8878 -1.8868 -1.8868 -0.9391 -0.9391 -0.9361 -0.9361 -0.3342 -0.3342 -0.3338 -0.3338 0.4796 0.4796 0.4810 0.4810 1.2907 1.2907 1.2936 1.2936 1.7601 1.7601 1.7646 1.7646 3.3085 3.3085 3.3345 3.3345 3.4231 3.4231 3.4779 3.4779 3.6171 3.6171 3.6919 3.6919 4.1179 4.1179 4.1460 4.1460 4.8243 4.8243 4.8474 4.8474 13.0425 13.0425 13.0433 13.0433 15.1805 15.1805 15.1935 15.1935 k = 0.5000 0.5627 0.4979 ( 2772 PWs) bands (ev): -17.9799 -17.9799 -17.9794 -17.9794 -17.7633 -17.7633 -17.7628 -17.7628 -1.8863 -1.8863 -1.8853 -1.8853 -0.9393 -0.9393 -0.9362 -0.9362 -0.3150 -0.3150 -0.3145 -0.3145 0.4874 0.4874 0.4885 0.4885 1.2868 1.2868 1.2896 1.2896 1.7406 1.7406 1.7450 1.7450 3.3044 3.3044 3.3322 3.3322 3.4249 3.4249 3.4794 3.4794 3.6185 3.6185 3.6934 3.6934 4.1254 4.1254 4.1562 4.1562 4.8196 4.8196 4.8441 4.8441 13.0209 13.0209 13.0217 13.0217 15.1052 15.1052 15.1174 15.1174 k = 0.5000 0.5483 0.4979 ( 2776 PWs) bands (ev): -17.9811 -17.9811 -17.9806 -17.9806 -17.7645 -17.7645 -17.7640 -17.7640 -1.8847 -1.8847 -1.8837 -1.8837 -0.9387 -0.9387 -0.9355 -0.9355 -0.2949 -0.2949 -0.2942 -0.2942 0.4962 0.4962 0.4969 0.4969 1.2821 1.2821 1.2849 1.2849 1.7196 1.7196 1.7239 1.7239 3.3001 3.3001 3.3297 3.3297 3.4267 3.4267 3.4804 3.4804 3.6204 3.6204 3.6949 3.6949 4.1339 4.1339 4.1675 4.1675 4.8144 4.8144 4.8406 4.8406 12.9967 12.9967 12.9976 12.9976 15.0296 15.0296 15.0411 15.0411 k = 0.5000 0.5339 0.4979 ( 2774 PWs) bands (ev): -17.9825 -17.9825 -17.9821 -17.9821 -17.7657 -17.7657 -17.7651 -17.7651 -1.8828 -1.8828 -1.8818 -1.8818 -0.9370 -0.9370 -0.9338 -0.9338 -0.2739 -0.2739 -0.2730 -0.2730 0.5057 0.5057 0.5062 0.5062 1.2768 1.2768 1.2794 1.2794 1.6974 1.6974 1.7016 1.7016 3.2958 3.2958 3.3269 3.3269 3.4284 3.4284 3.4810 3.4810 3.6228 3.6228 3.6964 3.6964 4.1435 4.1435 4.1799 4.1799 4.8089 4.8089 4.8368 4.8368 12.9702 12.9702 12.9712 12.9712 14.9541 14.9541 14.9649 14.9649 k = 0.5000 0.5194 0.4979 ( 2774 PWs) bands (ev): -17.9842 -17.9842 -17.9838 -17.9838 -17.7670 -17.7670 -17.7663 -17.7663 -1.8809 -1.8809 -1.8799 -1.8799 -0.9344 -0.9344 -0.9311 -0.9311 -0.2520 -0.2520 -0.2509 -0.2509 0.5161 0.5161 0.5162 0.5162 1.2707 1.2707 1.2732 1.2732 1.6740 1.6740 1.6782 1.6782 3.2913 3.2913 3.3237 3.3237 3.4299 3.4299 3.4811 3.4811 3.6257 3.6257 3.6980 3.6980 4.1539 4.1539 4.1933 4.1933 4.8030 4.8030 4.8327 4.8327 12.9416 12.9416 12.9426 12.9426 14.8787 14.8787 14.8890 14.8890 k = 0.5000 0.5050 0.4979 ( 2774 PWs) bands (ev): -17.9861 -17.9861 -17.9857 -17.9857 -17.7681 -17.7681 -17.7675 -17.7675 -1.8789 -1.8789 -1.8779 -1.8779 -0.9306 -0.9306 -0.9273 -0.9273 -0.2293 -0.2293 -0.2280 -0.2280 0.5270 0.5270 0.5271 0.5271 1.2639 1.2639 1.2663 1.2663 1.6496 1.6496 1.6537 1.6537 3.2866 3.2866 3.3202 3.3202 3.4311 3.4311 3.4806 3.4806 3.6291 3.6291 3.6996 3.6996 4.1652 4.1652 4.2076 4.2076 4.7968 4.7968 4.8284 4.8284 12.9110 12.9110 12.9121 12.9121 14.8037 14.8037 14.8136 14.8136 k = 0.5000 0.4906 0.4979 ( 2772 PWs) bands (ev): -17.9882 -17.9882 -17.9878 -17.9878 -17.7693 -17.7693 -17.7686 -17.7686 -1.8770 -1.8770 -1.8759 -1.8759 -0.9258 -0.9258 -0.9225 -0.9225 -0.2058 -0.2058 -0.2042 -0.2042 0.5385 0.5385 0.5388 0.5388 1.2563 1.2563 1.2586 1.2586 1.6244 1.6244 1.6283 1.6283 3.2817 3.2817 3.3164 3.3164 3.4321 3.4321 3.4796 3.4796 3.6331 3.6331 3.7013 3.7013 4.1772 4.1772 4.2228 4.2228 4.7902 4.7902 4.8239 4.8239 12.8788 12.8788 12.8799 12.8799 14.7291 14.7291 14.7386 14.7386 k = 0.5000 0.4761 0.4979 ( 2778 PWs) bands (ev): -17.9904 -17.9904 -17.9901 -17.9901 -17.7705 -17.7705 -17.7697 -17.7697 -1.8751 -1.8751 -1.8740 -1.8740 -0.9197 -0.9197 -0.9165 -0.9165 -0.1817 -0.1817 -0.1798 -0.1798 0.5505 0.5505 0.5511 0.5511 1.2481 1.2481 1.2502 1.2502 1.5984 1.5984 1.6023 1.6023 3.2766 3.2766 3.3121 3.3121 3.4326 3.4326 3.4779 3.4779 3.6375 3.6375 3.7032 3.7032 4.1898 4.1898 4.2386 4.2386 4.7834 4.7834 4.8193 4.8193 12.8451 12.8451 12.8463 12.8463 14.6551 14.6551 14.6642 14.6642 k = 0.5000 0.4617 0.4979 ( 2780 PWs) bands (ev): -17.9929 -17.9929 -17.9926 -17.9926 -17.7716 -17.7716 -17.7708 -17.7708 -1.8733 -1.8733 -1.8722 -1.8722 -0.9124 -0.9124 -0.9093 -0.9093 -0.1569 -0.1569 -0.1548 -0.1548 0.5632 0.5632 0.5640 0.5640 1.2391 1.2391 1.2410 1.2410 1.5720 1.5720 1.5758 1.5758 3.2714 3.2714 3.3075 3.3075 3.4327 3.4327 3.4757 3.4757 3.6423 3.6423 3.7053 3.7053 4.2028 4.2028 4.2549 4.2549 4.7764 4.7764 4.8146 4.8146 12.8102 12.8102 12.8114 12.8114 14.5816 14.5816 14.5905 14.5905 k = 0.5000 0.4473 0.4979 ( 2782 PWs) bands (ev): -17.9955 -17.9955 -17.9952 -17.9952 -17.7728 -17.7728 -17.7719 -17.7719 -1.8717 -1.8717 -1.8706 -1.8706 -0.9039 -0.9039 -0.9008 -0.9008 -0.1315 -0.1315 -0.1291 -0.1291 0.5762 0.5762 0.5772 0.5772 1.2294 1.2294 1.2311 1.2311 1.5454 1.5454 1.5490 1.5490 3.2659 3.2659 3.3025 3.3025 3.4323 3.4323 3.4730 3.4730 3.6476 3.6476 3.7076 3.7076 4.2162 4.2162 4.2717 4.2717 4.7693 4.7693 4.8100 4.8100 12.7743 12.7743 12.7755 12.7755 14.5089 14.5089 14.5174 14.5174 k = 0.5000 0.4329 0.4979 ( 2782 PWs) bands (ev): -17.9983 -17.9983 -17.9980 -17.9980 -17.7739 -17.7739 -17.7730 -17.7730 -1.8703 -1.8703 -1.8691 -1.8691 -0.8941 -0.8941 -0.8911 -0.8911 -0.1055 -0.1055 -0.1028 -0.1028 0.5896 0.5896 0.5907 0.5907 1.2189 1.2189 1.2203 1.2203 1.5186 1.5186 1.5222 1.5222 3.2602 3.2602 3.2971 3.2971 3.4314 3.4314 3.4697 3.4697 3.6533 3.6533 3.7103 3.7103 4.2296 4.2296 4.2887 4.2887 4.7621 4.7621 4.8056 4.8056 12.7374 12.7374 12.7388 12.7388 14.4368 14.4368 14.4451 14.4451 k = 0.5000 0.4184 0.4979 ( 2778 PWs) bands (ev): -18.0012 -18.0012 -18.0009 -18.0009 -17.7749 -17.7749 -17.7740 -17.7740 -1.8692 -1.8692 -1.8680 -1.8680 -0.8829 -0.8829 -0.8800 -0.8800 -0.0791 -0.0791 -0.0760 -0.0760 0.6032 0.6032 0.6044 0.6044 1.2076 1.2076 1.2087 1.2087 1.4922 1.4922 1.4955 1.4955 3.2544 3.2544 3.2914 3.2914 3.4299 3.4299 3.4660 3.4660 3.6592 3.6592 3.7132 3.7132 4.2430 4.2430 4.3057 4.3057 4.7551 4.7551 4.8014 4.8014 12.7000 12.7000 12.7013 12.7013 14.3656 14.3656 14.3737 14.3737 k = 0.5000 0.4040 0.4979 ( 2772 PWs) bands (ev): -18.0042 -18.0042 -18.0040 -18.0040 -17.7760 -17.7760 -17.7750 -17.7750 -1.8683 -1.8683 -1.8670 -1.8670 -0.8704 -0.8704 -0.8677 -0.8677 -0.0522 -0.0522 -0.0489 -0.0489 0.6168 0.6168 0.6180 0.6180 1.1956 1.1956 1.1962 1.1962 1.4662 1.4662 1.4694 1.4694 3.2483 3.2483 3.2853 3.2853 3.4279 3.4279 3.4618 3.4618 3.6655 3.6655 3.7164 3.7164 4.2562 4.2562 4.3225 4.3225 4.7484 4.7484 4.7976 4.7976 12.6620 12.6620 12.6635 12.6635 14.2953 14.2953 14.3032 14.3032 k = 0.5000 0.3896 0.4979 ( 2770 PWs) bands (ev): -18.0074 -18.0074 -18.0071 -18.0071 -17.7770 -17.7770 -17.7760 -17.7760 -1.8677 -1.8677 -1.8664 -1.8664 -0.8566 -0.8566 -0.8540 -0.8540 -0.0250 -0.0250 -0.0213 -0.0213 0.6302 0.6302 0.6314 0.6314 1.1827 1.1827 1.1829 1.1829 1.4409 1.4409 1.4440 1.4440 3.2420 3.2420 3.2789 3.2789 3.4254 3.4254 3.4572 3.4572 3.6720 3.6720 3.7199 3.7199 4.2688 4.2688 4.3388 4.3388 4.7421 4.7421 4.7944 4.7944 12.6238 12.6238 12.6253 12.6253 14.2259 14.2259 14.2336 14.2336 k = 0.5000 0.3751 0.4979 ( 2766 PWs) bands (ev): -18.0106 -18.0106 -18.0103 -18.0103 -17.7780 -17.7780 -17.7770 -17.7770 -1.8675 -1.8675 -1.8661 -1.8661 -0.8415 -0.8415 -0.8391 -0.8391 0.0025 0.0025 0.0064 0.0064 0.6432 0.6432 0.6442 0.6442 1.1688 1.1688 1.1691 1.1691 1.4167 1.4167 1.4197 1.4197 3.2355 3.2355 3.2721 3.2721 3.4223 3.4223 3.4523 3.4523 3.6786 3.6786 3.7237 3.7237 4.2807 4.2807 4.3543 4.3543 4.7366 4.7366 4.7919 4.7919 12.5854 12.5854 12.5869 12.5869 14.1576 14.1576 14.1652 14.1652 k = 0.5000 0.3607 0.4979 ( 2768 PWs) bands (ev): -18.0138 -18.0138 -18.0136 -18.0136 -17.7790 -17.7790 -17.7780 -17.7780 -1.8675 -1.8675 -1.8661 -1.8661 -0.8251 -0.8251 -0.8229 -0.8229 0.0300 0.0300 0.0342 0.0342 0.6556 0.6556 0.6563 0.6563 1.1540 1.1540 1.1549 1.1549 1.3938 1.3938 1.3966 1.3966 3.2288 3.2288 3.2651 3.2651 3.4187 3.4187 3.4469 3.4469 3.6853 3.6853 3.7277 3.7277 4.2916 4.2916 4.3687 4.3687 4.7320 4.7320 4.7903 4.7903 12.5471 12.5471 12.5486 12.5486 14.0904 14.0904 14.0979 14.0979 k = 0.5000 0.3463 0.4979 ( 2770 PWs) bands (ev): -18.0171 -18.0171 -18.0169 -18.0169 -17.7800 -17.7800 -17.7789 -17.7789 -1.8679 -1.8679 -1.8664 -1.8664 -0.8074 -0.8074 -0.8054 -0.8054 0.0576 0.0576 0.0620 0.0620 0.6670 0.6670 0.6673 0.6673 1.1387 1.1387 1.1403 1.1403 1.3724 1.3724 1.3750 1.3750 3.2220 3.2220 3.2578 3.2578 3.4145 3.4145 3.4412 3.4412 3.6922 3.6922 3.7320 3.7320 4.3013 4.3013 4.3816 4.3816 4.7287 4.7287 4.7897 4.7897 12.5090 12.5090 12.5106 12.5106 14.0245 14.0245 14.0318 14.0318 k = 0.5000 0.3319 0.4979 ( 2768 PWs) bands (ev): -18.0205 -18.0205 -18.0203 -18.0203 -17.7809 -17.7809 -17.7798 -17.7798 -1.8686 -1.8686 -1.8670 -1.8670 -0.7885 -0.7885 -0.7866 -0.7866 0.0850 0.0850 0.0896 0.0896 0.6767 0.6767 0.6770 0.6770 1.1233 1.1233 1.1257 1.1257 1.3525 1.3525 1.3551 1.3551 3.2150 3.2150 3.2503 3.2503 3.4099 3.4099 3.4352 3.4352 3.6991 3.6991 3.7365 3.7365 4.3098 4.3098 4.3928 4.3928 4.7270 4.7270 4.7902 4.7902 12.4712 12.4712 12.4728 12.4728 13.9599 13.9599 13.9671 13.9671 k = 0.5000 0.3174 0.4979 ( 2774 PWs) bands (ev): -18.0238 -18.0238 -18.0236 -18.0236 -17.7818 -17.7818 -17.7807 -17.7807 -1.8696 -1.8696 -1.8679 -1.8679 -0.7683 -0.7683 -0.7666 -0.7666 0.1121 0.1121 0.1169 0.1169 0.6842 0.6842 0.6852 0.6852 1.1082 1.1082 1.1114 1.1114 1.3345 1.3345 1.3370 1.3370 3.2078 3.2078 3.2426 3.2426 3.4047 3.4047 3.4289 3.4289 3.7059 3.7059 3.7412 3.7412 4.3166 4.3166 4.4017 4.4017 4.7271 4.7271 4.7921 4.7921 12.4340 12.4340 12.4356 12.4356 13.8968 13.8968 13.9039 13.9039 k = 0.5000 0.3030 0.4979 ( 2778 PWs) bands (ev): -18.0271 -18.0271 -18.0270 -18.0270 -17.7827 -17.7827 -17.7815 -17.7815 -1.8708 -1.8708 -1.8691 -1.8691 -0.7469 -0.7469 -0.7454 -0.7454 0.1386 0.1386 0.1435 0.1435 0.6893 0.6893 0.6913 0.6913 1.0940 1.0940 1.0981 1.0981 1.3181 1.3181 1.3206 1.3206 3.2005 3.2005 3.2347 3.2347 3.3992 3.3992 3.4223 3.4223 3.7127 3.7127 3.7460 3.7460 4.3218 4.3218 4.4082 4.4082 4.7293 4.7293 4.7953 4.7953 12.3973 12.3973 12.3990 12.3990 13.8353 13.8353 13.8422 13.8422 k = 0.5000 0.2886 0.4979 ( 2776 PWs) bands (ev): -18.0304 -18.0304 -18.0303 -18.0303 -17.7836 -17.7836 -17.7824 -17.7824 -1.8723 -1.8723 -1.8706 -1.8706 -0.7244 -0.7244 -0.7231 -0.7231 0.1644 0.1644 0.1692 0.1692 0.6917 0.6917 0.6948 0.6948 1.0812 1.0812 1.0863 1.0863 1.3035 1.3035 1.3061 1.3061 3.1932 3.1932 3.2267 3.2267 3.3934 3.3934 3.4156 3.4156 3.7195 3.7195 3.7509 3.7509 4.3254 4.3254 4.4123 4.4123 4.7337 4.7337 4.8000 4.8000 12.3615 12.3615 12.3631 12.3631 13.7754 13.7754 13.7823 13.7823 k = 0.5000 0.2741 0.4979 ( 2768 PWs) bands (ev): -18.0337 -18.0337 -18.0336 -18.0336 -17.7844 -17.7844 -17.7831 -17.7831 -1.8740 -1.8740 -1.8722 -1.8722 -0.7008 -0.7008 -0.6997 -0.6997 0.1890 0.1890 0.1937 0.1937 0.6911 0.6911 0.6956 0.6956 1.0705 1.0705 1.0766 1.0766 1.2905 1.2905 1.2933 1.2933 3.1858 3.1858 3.2187 3.2187 3.3872 3.3872 3.4087 3.4087 3.7262 3.7262 3.7559 3.7559 4.3272 4.3272 4.4138 4.4138 4.7402 4.7402 4.8060 4.8060 12.3265 12.3265 12.3282 12.3282 13.7173 13.7173 13.7241 13.7241 k = 0.5000 0.2597 0.4979 ( 2768 PWs) bands (ev): -18.0369 -18.0369 -18.0368 -18.0368 -17.7852 -17.7852 -17.7839 -17.7839 -1.8759 -1.8759 -1.8741 -1.8741 -0.6761 -0.6761 -0.6752 -0.6752 0.2120 0.2120 0.2165 0.2165 0.6874 0.6874 0.6935 0.6935 1.0621 1.0621 1.0691 1.0691 1.2791 1.2791 1.2822 1.2822 3.1784 3.1784 3.2106 3.2106 3.3808 3.3808 3.4016 3.4016 3.7327 3.7327 3.7609 3.7609 4.3274 4.3274 4.4130 4.4130 4.7487 4.7487 4.8132 4.8132 12.2926 12.2926 12.2943 12.2943 13.6612 13.6612 13.6679 13.6679 k = 0.5000 0.2453 0.4979 ( 2762 PWs) bands (ev): -18.0400 -18.0400 -18.0399 -18.0399 -17.7859 -17.7859 -17.7847 -17.7847 -1.8780 -1.8780 -1.8761 -1.8761 -0.6504 -0.6504 -0.6497 -0.6497 0.2331 0.2331 0.2372 0.2372 0.6811 0.6811 0.6889 0.6889 1.0564 1.0564 1.0641 1.0641 1.2693 1.2693 1.2728 1.2728 3.1710 3.1710 3.2026 3.2026 3.3742 3.3742 3.3944 3.3944 3.7390 3.7390 3.7658 3.7658 4.3262 4.3262 4.4100 4.4100 4.7589 4.7589 4.8217 4.8217 12.2599 12.2599 12.2616 12.2616 13.6071 13.6071 13.6137 13.6137 k = 0.5000 0.2309 0.4979 ( 2762 PWs) bands (ev): -18.0430 -18.0430 -18.0429 -18.0429 -17.7867 -17.7867 -17.7854 -17.7854 -1.8801 -1.8801 -1.8782 -1.8782 -0.6237 -0.6237 -0.6232 -0.6232 0.2515 0.2515 0.2550 0.2550 0.6727 0.6727 0.6824 0.6824 1.0531 1.0531 1.0614 1.0614 1.2610 1.2610 1.2651 1.2651 3.1636 3.1636 3.1947 3.1947 3.3674 3.3674 3.3871 3.3871 3.7451 3.7451 3.7707 3.7707 4.3235 4.3235 4.4053 4.4053 4.7703 4.7703 4.8310 4.8310 12.2284 12.2284 12.2301 12.2301 13.5551 13.5551 13.5617 13.5617 k = 0.5000 0.2164 0.4979 ( 2758 PWs) bands (ev): -18.0460 -18.0460 -18.0459 -18.0459 -17.7874 -17.7874 -17.7860 -17.7860 -1.8824 -1.8824 -1.8804 -1.8804 -0.5961 -0.5961 -0.5959 -0.5959 0.2666 0.2666 0.2693 0.2693 0.6632 0.6632 0.6750 0.6750 1.0519 1.0519 1.0606 1.0606 1.2542 1.2542 1.2589 1.2589 3.1563 3.1563 3.1869 3.1869 3.3606 3.3606 3.3797 3.3797 3.7510 3.7510 3.7754 3.7754 4.3197 4.3197 4.3993 4.3993 4.7828 4.7828 4.8411 4.8411 12.1983 12.1983 12.2000 12.2000 13.5055 13.5055 13.5121 13.5121 k = 0.5000 0.2020 0.4979 ( 2760 PWs) bands (ev): -18.0488 -18.0488 -18.0487 -18.0487 -17.7880 -17.7880 -17.7867 -17.7867 -1.8847 -1.8847 -1.8827 -1.8827 -0.5678 -0.5678 -0.5677 -0.5677 0.2775 0.2775 0.2792 0.2792 0.6539 0.6539 0.6678 0.6678 1.0523 1.0523 1.0612 1.0612 1.2489 1.2489 1.2545 1.2545 3.1491 3.1491 3.1792 3.1792 3.3537 3.3537 3.3724 3.3724 3.7566 3.7566 3.7800 3.7800 4.3150 4.3150 4.3921 4.3921 4.7958 4.7958 4.8517 4.8517 12.1696 12.1696 12.1714 12.1714 13.4583 13.4583 13.4648 13.4648 k = 0.5000 0.1876 0.4979 ( 2766 PWs) bands (ev): -18.0515 -18.0515 -18.0514 -18.0514 -17.7887 -17.7887 -17.7873 -17.7873 -1.8871 -1.8871 -1.8850 -1.8850 -0.5388 -0.5388 -0.5387 -0.5387 0.2835 0.2835 0.2841 0.2841 0.6458 0.6458 0.6619 0.6619 1.0538 1.0538 1.0626 1.0626 1.2450 1.2450 1.2516 1.2516 3.1421 3.1421 3.1717 3.1717 3.3468 3.3468 3.3651 3.3651 3.7619 3.7619 3.7844 3.7844 4.3095 4.3095 4.3841 4.3841 4.8091 4.8091 4.8627 4.8627 12.1426 12.1426 12.1443 12.1443 13.4137 13.4137 13.4202 13.4202 k = 0.5000 0.1731 0.4979 ( 2766 PWs) bands (ev): -18.0540 -18.0540 -18.0539 -18.0539 -17.7892 -17.7892 -17.7879 -17.7879 -1.8894 -1.8894 -1.8873 -1.8873 -0.5093 -0.5093 -0.5089 -0.5089 0.2834 0.2834 0.2839 0.2839 0.6402 0.6402 0.6583 0.6583 1.0558 1.0558 1.0644 1.0644 1.2426 1.2426 1.2503 1.2503 3.1353 3.1353 3.1645 3.1645 3.3400 3.3400 3.3580 3.3580 3.7669 3.7669 3.7886 3.7886 4.3035 4.3035 4.3758 4.3758 4.8225 4.8225 4.8737 4.8737 12.1172 12.1172 12.1189 12.1189 13.3718 13.3718 13.3782 13.3782 k = 0.5000 0.1587 0.4979 ( 2762 PWs) bands (ev): -18.0564 -18.0564 -18.0563 -18.0563 -17.7898 -17.7898 -17.7884 -17.7884 -1.8916 -1.8916 -1.8895 -1.8895 -0.4792 -0.4792 -0.4785 -0.4785 0.2769 0.2769 0.2785 0.2785 0.6375 0.6375 0.6575 0.6575 1.0580 1.0580 1.0661 1.0661 1.2416 1.2416 1.2504 1.2504 3.1288 3.1288 3.1577 3.1577 3.3335 3.3335 3.3510 3.3510 3.7716 3.7716 3.7926 3.7926 4.2972 4.2972 4.3673 4.3673 4.8356 4.8356 4.8847 4.8847 12.0935 12.0935 12.0952 12.0952 13.3327 13.3327 13.3391 13.3391 k = 0.5000 0.1443 0.4979 ( 2764 PWs) bands (ev): -18.0586 -18.0586 -18.0585 -18.0585 -17.7903 -17.7903 -17.7889 -17.7889 -1.8938 -1.8938 -1.8917 -1.8917 -0.4486 -0.4486 -0.4478 -0.4478 0.2651 0.2651 0.2674 0.2674 0.6379 0.6379 0.6595 0.6595 1.0600 1.0600 1.0676 1.0676 1.2419 1.2419 1.2519 1.2519 3.1226 3.1226 3.1512 3.1512 3.3271 3.3271 3.3443 3.3443 3.7760 3.7760 3.7963 3.7963 4.2907 4.2907 4.3588 4.3588 4.8482 4.8482 4.8953 4.8953 12.0716 12.0716 12.0734 12.0734 13.2965 13.2965 13.3029 13.3029 k = 0.5000 0.1299 0.4979 ( 2762 PWs) bands (ev): -18.0606 -18.0606 -18.0605 -18.0605 -17.7907 -17.7907 -17.7893 -17.7893 -1.8959 -1.8959 -1.8937 -1.8937 -0.4177 -0.4177 -0.4167 -0.4167 0.2485 0.2485 0.2513 0.2513 0.6410 0.6410 0.6640 0.6640 1.0615 1.0615 1.0686 1.0686 1.2433 1.2433 1.2545 1.2545 3.1168 3.1168 3.1452 3.1452 3.3211 3.3211 3.3380 3.3380 3.7799 3.7799 3.7997 3.7997 4.2844 4.2844 4.3506 4.3506 4.8601 4.8601 4.9055 4.9055 12.0517 12.0517 12.0534 12.0534 13.2634 13.2634 13.2697 13.2697 k = 0.5000 0.1154 0.4979 ( 2764 PWs) bands (ev): -18.0624 -18.0624 -18.0624 -18.0624 -17.7912 -17.7912 -17.7897 -17.7897 -1.8978 -1.8978 -1.8956 -1.8956 -0.3868 -0.3868 -0.3855 -0.3855 0.2281 0.2281 0.2311 0.2311 0.6461 0.6461 0.6701 0.6701 1.0625 1.0625 1.0691 1.0691 1.2456 1.2456 1.2579 1.2579 3.1114 3.1114 3.1396 3.1396 3.3155 3.3155 3.3320 3.3320 3.7835 3.7835 3.8028 3.8028 4.2783 4.2783 4.3429 4.3429 4.8712 4.8712 4.9150 4.9150 12.0336 12.0336 12.0354 12.0354 13.2334 13.2334 13.2397 13.2397 k = 0.5000 0.1010 0.4979 ( 2766 PWs) bands (ev): -18.0641 -18.0641 -18.0640 -18.0640 -17.7915 -17.7915 -17.7901 -17.7901 -1.8995 -1.8995 -1.8973 -1.8973 -0.3560 -0.3560 -0.3545 -0.3545 0.2049 0.2049 0.2081 0.2081 0.6525 0.6525 0.6773 0.6773 1.0631 1.0631 1.0692 1.0692 1.2485 1.2485 1.2618 1.2618 3.1065 3.1065 3.1346 3.1346 3.3103 3.3103 3.3265 3.3265 3.7867 3.7867 3.8056 3.8056 4.2725 4.2725 4.3357 4.3357 4.8812 4.8812 4.9237 4.9237 12.0176 12.0176 12.0193 12.0193 13.2068 13.2068 13.2130 13.2130 k = 0.5000 0.0866 0.4979 ( 2764 PWs) bands (ev): -18.0655 -18.0655 -18.0655 -18.0655 -17.7918 -17.7918 -17.7904 -17.7904 -1.9011 -1.9011 -1.8989 -1.8989 -0.3257 -0.3257 -0.3239 -0.3239 0.1801 0.1801 0.1831 0.1831 0.6594 0.6594 0.6849 0.6849 1.0632 1.0632 1.0690 1.0690 1.2517 1.2517 1.2658 1.2658 3.1021 3.1021 3.1301 3.1301 3.3057 3.3057 3.3215 3.3215 3.7895 3.7895 3.8080 3.8080 4.2673 4.2673 4.3292 4.3292 4.8902 4.8902 4.9315 4.9315 12.0036 12.0036 12.0054 12.0054 13.1834 13.1834 13.1897 13.1897 k = 0.5000 0.0721 0.4979 ( 2764 PWs) bands (ev): -18.0667 -18.0667 -18.0667 -18.0667 -17.7921 -17.7921 -17.7907 -17.7907 -1.9025 -1.9025 -1.9002 -1.9002 -0.2964 -0.2964 -0.2944 -0.2944 0.1545 0.1545 0.1575 0.1575 0.6661 0.6661 0.6922 0.6922 1.0631 1.0631 1.0685 1.0685 1.2549 1.2549 1.2698 1.2698 3.0984 3.0984 3.1263 3.1263 3.3016 3.3016 3.3172 3.3172 3.7919 3.7919 3.8101 3.8101 4.2627 4.2627 4.3235 4.3235 4.8980 4.8980 4.9383 4.9383 11.9917 11.9917 11.9934 11.9934 13.1635 13.1635 13.1698 13.1698 k = 0.5000 0.0577 0.4979 ( 2766 PWs) bands (ev): -18.0677 -18.0677 -18.0677 -18.0677 -17.7923 -17.7923 -17.7909 -17.7909 -1.9036 -1.9036 -1.9014 -1.9014 -0.2689 -0.2689 -0.2666 -0.2666 0.1296 0.1296 0.1323 0.1323 0.6723 0.6723 0.6988 0.6988 1.0627 1.0627 1.0680 1.0680 1.2579 1.2579 1.2735 1.2735 3.0952 3.0952 3.1231 3.1231 3.2982 3.2982 3.3135 3.3135 3.7939 3.7939 3.8118 3.8118 4.2588 4.2588 4.3188 4.3188 4.9044 4.9044 4.9440 4.9440 11.9819 11.9819 11.9836 11.9836 13.1472 13.1472 13.1534 13.1534 k = 0.5000 0.0433 0.4979 ( 2764 PWs) bands (ev): -18.0685 -18.0685 -18.0685 -18.0685 -17.7925 -17.7925 -17.7911 -17.7911 -1.9045 -1.9045 -1.9023 -1.9023 -0.2442 -0.2442 -0.2416 -0.2416 0.1066 0.1066 0.1091 0.1091 0.6775 0.6775 0.7043 0.7043 1.0623 1.0623 1.0674 1.0674 1.2605 1.2605 1.2765 1.2765 3.0927 3.0927 3.1206 3.1206 3.2955 3.2955 3.3106 3.3106 3.7954 3.7954 3.8132 3.8132 4.2557 4.2557 4.3150 4.3150 4.9096 4.9096 4.9485 4.9485 11.9743 11.9743 11.9760 11.9760 13.1344 13.1344 13.1406 13.1406 k = 0.5000 0.0289 0.4979 ( 2766 PWs) bands (ev): -18.0691 -18.0691 -18.0691 -18.0691 -17.7926 -17.7926 -17.7912 -17.7912 -1.9052 -1.9052 -1.9029 -1.9029 -0.2240 -0.2240 -0.2212 -0.2212 0.0874 0.0874 0.0897 0.0897 0.6814 0.6814 0.7084 0.7084 1.0619 1.0619 1.0669 1.0669 1.2624 1.2624 1.2788 1.2788 3.0909 3.0909 3.1188 3.1188 3.2936 3.2936 3.3085 3.3085 3.7965 3.7965 3.8141 3.8141 4.2535 4.2535 4.3123 4.3123 4.9132 4.9132 4.9517 4.9517 11.9688 11.9688 11.9705 11.9705 13.1252 13.1252 13.1314 13.1314 k = 0.5000 0.0144 0.4979 ( 2758 PWs) bands (ev): -18.0694 -18.0694 -18.0694 -18.0694 -17.7927 -17.7927 -17.7913 -17.7913 -1.9056 -1.9056 -1.9033 -1.9033 -0.2104 -0.2104 -0.2075 -0.2075 0.0745 0.0745 0.0765 0.0765 0.6838 0.6838 0.7110 0.7110 1.0617 1.0617 1.0666 1.0666 1.2637 1.2637 1.2803 1.2803 3.0898 3.0898 3.1177 3.1177 3.2924 3.2924 3.3073 3.3073 3.7972 3.7972 3.8147 3.8147 4.2521 4.2521 4.3106 4.3106 4.9155 4.9155 4.9537 4.9537 11.9655 11.9655 11.9672 11.9672 13.1197 13.1197 13.1259 13.1259 k = 0.5000-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.0695 -18.0695 -18.0695 -18.0695 -17.7927 -17.7927 -17.7913 -17.7913 -1.9057 -1.9057 -1.9034 -1.9034 -0.2056 -0.2056 -0.2026 -0.2026 0.0698 0.0698 0.0718 0.0718 0.6846 0.6846 0.7119 0.7119 1.0616 1.0616 1.0665 1.0665 1.2641 1.2641 1.2808 1.2808 3.0894 3.0894 3.1173 3.1173 3.2920 3.2920 3.3069 3.3069 3.7974 3.7974 3.8149 3.8149 4.2517 4.2517 4.3101 4.3101 4.9162 4.9162 4.9544 4.9544 11.9644 11.9644 11.9661 11.9661 13.1178 13.1178 13.1241 13.1241 k = 0.5000-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.0695 -18.0695 -18.0695 -18.0695 -17.7927 -17.7927 -17.7913 -17.7913 -1.9057 -1.9057 -1.9034 -1.9034 -0.2056 -0.2056 -0.2026 -0.2026 0.0698 0.0698 0.0718 0.0718 0.6846 0.6846 0.7119 0.7119 1.0616 1.0616 1.0665 1.0665 1.2641 1.2641 1.2808 1.2808 3.0894 3.0894 3.1173 3.1173 3.2920 3.2920 3.3069 3.3069 3.7974 3.7974 3.8149 3.8149 4.2517 4.2517 4.3101 4.3101 4.9162 4.9162 4.9544 4.9544 11.9644 11.9644 11.9661 11.9661 13.1178 13.1178 13.1241 13.1241 k = 0.5000-0.0000 0.4837 ( 2762 PWs) bands (ev): -18.0698 -18.0698 -18.0698 -18.0698 -17.7924 -17.7924 -17.7910 -17.7910 -1.9051 -1.9051 -1.9028 -1.9028 -0.2056 -0.2056 -0.2026 -0.2026 0.0690 0.0690 0.0711 0.0711 0.6830 0.6830 0.7100 0.7100 1.0626 1.0626 1.0672 1.0672 1.2642 1.2642 1.2810 1.2810 3.0900 3.0900 3.1180 3.1180 3.2925 3.2925 3.3073 3.3073 3.7972 3.7972 3.8148 3.8148 4.2521 4.2521 4.3105 4.3105 4.9161 4.9161 4.9543 4.9543 11.9593 11.9593 11.9611 11.9611 13.1233 13.1233 13.1295 13.1295 k = 0.5000-0.0000 0.4695 ( 2760 PWs) bands (ev): -18.0707 -18.0707 -18.0707 -18.0707 -17.7915 -17.7915 -17.7901 -17.7901 -1.9033 -1.9033 -1.9010 -1.9010 -0.2056 -0.2056 -0.2025 -0.2025 0.0667 0.0667 0.0687 0.0687 0.6781 0.6781 0.7045 0.7045 1.0654 1.0654 1.0690 1.0690 1.2648 1.2648 1.2819 1.2819 3.0919 3.0919 3.1199 3.1199 3.2941 3.2941 3.3089 3.3089 3.7967 3.7967 3.8144 3.8144 4.2534 4.2534 4.3119 4.3119 4.9157 4.9157 4.9541 4.9541 11.9445 11.9445 11.9462 11.9462 13.1395 13.1395 13.1457 13.1457 k = 0.5000-0.0000 0.4552 ( 2758 PWs) bands (ev): -18.0721 -18.0721 -18.0721 -18.0721 -17.7901 -17.7901 -17.7886 -17.7886 -1.9003 -1.9003 -1.8981 -1.8981 -0.2055 -0.2055 -0.2025 -0.2025 0.0629 0.0629 0.0649 0.0649 0.6704 0.6704 0.6957 0.6957 1.0691 1.0691 1.0714 1.0714 1.2663 1.2663 1.2838 1.2838 3.0949 3.0949 3.1231 3.1231 3.2967 3.2967 3.3115 3.3115 3.7959 3.7959 3.8137 3.8137 4.2555 4.2555 4.3142 4.3142 4.9152 4.9152 4.9537 4.9537 11.9206 11.9206 11.9223 11.9223 13.1655 13.1655 13.1717 13.1717 k = 0.5000-0.0000 0.4410 ( 2758 PWs) bands (ev): -18.0741 -18.0741 -18.0740 -18.0740 -17.7881 -17.7881 -17.7866 -17.7866 -1.8961 -1.8961 -1.8939 -1.8939 -0.2054 -0.2054 -0.2024 -0.2024 0.0576 0.0576 0.0596 0.0596 0.6601 0.6601 0.6842 0.6842 1.0726 1.0726 1.0734 1.0734 1.2694 1.2694 1.2872 1.2872 3.0991 3.0991 3.1275 3.1275 3.3002 3.3002 3.3150 3.3150 3.7948 3.7948 3.8128 3.8128 4.2585 4.2585 4.3175 4.3175 4.9144 4.9144 4.9531 4.9531 11.8890 11.8890 11.8907 11.8907 13.2001 13.2001 13.2064 13.2064 k = 0.5000-0.0000 0.4268 ( 2752 PWs) bands (ev): -18.0765 -18.0765 -18.0765 -18.0765 -17.7855 -17.7855 -17.7841 -17.7841 -1.8908 -1.8908 -1.8886 -1.8886 -0.2053 -0.2053 -0.2023 -0.2023 0.0509 0.0509 0.0529 0.0529 0.6478 0.6478 0.6705 0.6705 1.0741 1.0741 1.0747 1.0747 1.2749 1.2749 1.2929 1.2929 3.1045 3.1045 3.1330 3.1330 3.3047 3.3047 3.3195 3.3195 3.7933 3.7933 3.8116 3.8116 4.2623 4.2623 4.3216 4.3216 4.9134 4.9134 4.9525 4.9525 11.8508 11.8508 11.8525 11.8525 13.2421 13.2421 13.2484 13.2484 k = 0.5000-0.0000 0.4126 ( 2758 PWs) bands (ev): -18.0794 -18.0794 -18.0793 -18.0793 -17.7825 -17.7825 -17.7812 -17.7812 -1.8843 -1.8843 -1.8821 -1.8821 -0.2053 -0.2053 -0.2024 -0.2024 0.0429 0.0429 0.0449 0.0449 0.6337 0.6337 0.6552 0.6552 1.0725 1.0725 1.0742 1.0742 1.2836 1.2836 1.3013 1.3013 3.1108 3.1108 3.1394 3.1394 3.3100 3.3100 3.3248 3.3248 3.7915 3.7915 3.8100 3.8100 4.2670 4.2670 4.3265 4.3265 4.9122 4.9122 4.9517 4.9517 11.8075 11.8075 11.8092 11.8092 13.2900 13.2900 13.2964 13.2964 k = 0.5000-0.0000 0.3983 ( 2756 PWs) bands (ev): -18.0826 -18.0826 -18.0826 -18.0826 -17.7791 -17.7791 -17.7778 -17.7778 -1.8767 -1.8767 -1.8745 -1.8745 -0.2053 -0.2053 -0.2025 -0.2025 0.0336 0.0336 0.0356 0.0356 0.6184 0.6184 0.6385 0.6385 1.0682 1.0682 1.0704 1.0704 1.2957 1.2957 1.3128 1.3128 3.1180 3.1180 3.1468 3.1468 3.3160 3.3160 3.3309 3.3309 3.7893 3.7893 3.8082 3.8082 4.2724 4.2724 4.3324 4.3324 4.9109 4.9109 4.9509 4.9509 11.7603 11.7603 11.7619 11.7619 13.3428 13.3428 13.3493 13.3493 k = 0.5000-0.0000 0.3841 ( 2756 PWs) bands (ev): -18.0863 -18.0863 -18.0862 -18.0862 -17.7754 -17.7754 -17.7741 -17.7741 -1.8680 -1.8680 -1.8658 -1.8658 -0.2056 -0.2056 -0.2028 -0.2028 0.0232 0.0232 0.0252 0.0252 0.6021 0.6021 0.6211 0.6211 1.0608 1.0608 1.0632 1.0632 1.3113 1.3113 1.3275 1.3275 3.1261 3.1261 3.1550 3.1550 3.3226 3.3226 3.3377 3.3377 3.7868 3.7868 3.8062 3.8062 4.2786 4.2786 4.3390 4.3390 4.9095 4.9095 4.9500 4.9500 11.7100 11.7100 11.7116 11.7116 13.3994 13.3994 13.4059 13.4059 k = 0.5000-0.0000 0.3699 ( 2752 PWs) bands (ev): -18.0902 -18.0902 -18.0901 -18.0901 -17.7713 -17.7713 -17.7700 -17.7700 -1.8581 -1.8581 -1.8560 -1.8560 -0.2060 -0.2060 -0.2033 -0.2033 0.0117 0.0117 0.0138 0.0138 0.5851 0.5851 0.6030 0.6030 1.0507 1.0507 1.0529 1.0529 1.3299 1.3299 1.3449 1.3449 3.1350 3.1350 3.1638 3.1638 3.3297 3.3297 3.3451 3.3451 3.7840 3.7840 3.8038 3.8038 4.2856 4.2856 4.3465 4.3465 4.9080 4.9080 4.9491 4.9491 11.6576 11.6576 11.6592 11.6592 13.4589 13.4589 13.4655 13.4655 k = 0.5000-0.0000 0.3557 ( 2750 PWs) bands (ev): -18.0943 -18.0943 -18.0942 -18.0942 -17.7669 -17.7669 -17.7657 -17.7657 -1.8473 -1.8473 -1.8451 -1.8451 -0.2069 -0.2069 -0.2042 -0.2042 -0.0005 -0.0005 0.0016 0.0016 0.5676 0.5676 0.5845 0.5845 1.0380 1.0380 1.0398 1.0398 1.3510 1.3510 1.3646 1.3646 3.1446 3.1446 3.1733 3.1733 3.3372 3.3372 3.3529 3.3529 3.7808 3.7808 3.8010 3.8010 4.2933 4.2933 4.3546 4.3546 4.9066 4.9066 4.9482 4.9482 11.6038 11.6038 11.6053 11.6053 13.5206 13.5206 13.5273 13.5273 k = 0.5000-0.0000 0.3414 ( 2754 PWs) bands (ev): -18.0987 -18.0987 -18.0986 -18.0986 -17.7624 -17.7624 -17.7612 -17.7612 -1.8354 -1.8354 -1.8333 -1.8333 -0.2082 -0.2082 -0.2056 -0.2056 -0.0133 -0.0133 -0.0112 -0.0112 0.5498 0.5498 0.5658 0.5658 1.0233 1.0233 1.0246 1.0246 1.3740 1.3740 1.3863 1.3863 3.1547 3.1547 3.1831 3.1831 3.3448 3.3448 3.3612 3.3612 3.7774 3.7774 3.7980 3.7980 4.3015 4.3015 4.3633 4.3633 4.9052 4.9052 4.9474 4.9474 11.5492 11.5492 11.5506 11.5506 13.5839 13.5839 13.5907 13.5907 k = 0.5000-0.0000 0.3272 ( 2760 PWs) bands (ev): -18.1031 -18.1031 -18.1030 -18.1030 -17.7577 -17.7577 -17.7566 -17.7566 -1.8226 -1.8226 -1.8205 -1.8205 -0.2102 -0.2102 -0.2078 -0.2078 -0.0265 -0.0265 -0.0243 -0.0243 0.5317 0.5317 0.5470 0.5470 1.0071 1.0071 1.0078 1.0078 1.3983 1.3983 1.4094 1.4094 3.1653 3.1653 3.1932 3.1932 3.3526 3.3526 3.3696 3.3696 3.7735 3.7735 3.7947 3.7947 4.3104 4.3104 4.3725 4.3725 4.9039 4.9039 4.9467 4.9467 11.4943 11.4943 11.4956 11.4956 13.6483 13.6483 13.6552 13.6552 k = 0.5000-0.0000 0.3130 ( 2756 PWs) bands (ev): -18.1077 -18.1077 -18.1076 -18.1076 -17.7529 -17.7529 -17.7518 -17.7518 -1.8088 -1.8088 -1.8068 -1.8068 -0.2131 -0.2131 -0.2108 -0.2108 -0.0397 -0.0397 -0.0374 -0.0374 0.5137 0.5137 0.5282 0.5282 0.9896 0.9896 0.9899 0.9899 1.4237 1.4237 1.4336 1.4336 3.1763 3.1763 3.2037 3.2037 3.3605 3.3605 3.3782 3.3782 3.7695 3.7695 3.7912 3.7912 4.3197 4.3197 4.3822 4.3822 4.9028 4.9028 4.9461 4.9461 11.4395 11.4395 11.4407 11.4407 13.7133 13.7133 13.7202 13.7202 k = 0.5000-0.0000 0.2988 ( 2762 PWs) bands (ev): -18.1123 -18.1123 -18.1122 -18.1122 -17.7481 -17.7481 -17.7470 -17.7470 -1.7942 -1.7942 -1.7922 -1.7922 -0.2173 -0.2173 -0.2151 -0.2151 -0.0525 -0.0525 -0.0501 -0.0501 0.4956 0.4956 0.5095 0.5095 0.9711 0.9711 0.9714 0.9714 1.4496 1.4496 1.4585 1.4585 3.1877 3.1877 3.2143 3.2143 3.3682 3.3682 3.3868 3.3868 3.7652 3.7652 3.7873 3.7873 4.3294 4.3294 4.3920 4.3920 4.9020 4.9020 4.9458 4.9458 11.3851 11.3851 11.3863 11.3863 13.7785 13.7785 13.7855 13.7855 k = 0.5000-0.0000 0.2845 ( 2766 PWs) bands (ev): -18.1170 -18.1170 -18.1168 -18.1168 -17.7432 -17.7432 -17.7422 -17.7422 -1.7788 -1.7788 -1.7768 -1.7768 -0.2230 -0.2230 -0.2209 -0.2209 -0.0646 -0.0646 -0.0620 -0.0620 0.4776 0.4776 0.4910 0.4910 0.9520 0.9520 0.9526 0.9526 1.4759 1.4759 1.4838 1.4838 3.1993 3.1993 3.2250 3.2250 3.3757 3.3757 3.3953 3.3953 3.7607 3.7607 3.7832 3.7832 4.3393 4.3393 4.4021 4.4021 4.9016 4.9016 4.9456 4.9456 11.3315 11.3315 11.3327 11.3327 13.8435 13.8435 13.8506 13.8506 k = 0.5000-0.0000 0.2703 ( 2770 PWs) bands (ev): -18.1216 -18.1216 -18.1215 -18.1215 -17.7383 -17.7383 -17.7374 -17.7374 -1.7626 -1.7626 -1.7607 -1.7607 -0.2305 -0.2305 -0.2286 -0.2286 -0.0754 -0.0754 -0.0727 -0.0727 0.4599 0.4599 0.4726 0.4726 0.9326 0.9326 0.9337 0.9337 1.5022 1.5022 1.5092 1.5092 3.2111 3.2111 3.2357 3.2357 3.3829 3.3829 3.4036 3.4036 3.7560 3.7560 3.7790 3.7790 4.3494 4.3494 4.4120 4.4120 4.9015 4.9015 4.9457 4.9457 11.2790 11.2790 11.2800 11.2800 13.9081 13.9081 13.9153 13.9153 k = 0.5000-0.0000 0.2561 ( 2770 PWs) bands (ev): -18.1262 -18.1262 -18.1260 -18.1260 -17.7335 -17.7335 -17.7326 -17.7326 -1.7458 -1.7458 -1.7439 -1.7439 -0.2402 -0.2402 -0.2385 -0.2385 -0.0847 -0.0847 -0.0819 -0.0819 0.4423 0.4423 0.4546 0.4546 0.9134 0.9134 0.9148 0.9148 1.5284 1.5284 1.5346 1.5346 3.2230 3.2230 3.2463 3.2463 3.3898 3.3898 3.4116 3.4116 3.7512 3.7512 3.7746 3.7746 4.3596 4.3596 4.4219 4.4219 4.9019 4.9019 4.9462 4.9462 11.2278 11.2278 11.2287 11.2287 13.9719 13.9719 13.9791 13.9791 k = 0.5000-0.0000 0.2418 ( 2770 PWs) bands (ev): -18.1306 -18.1306 -18.1305 -18.1305 -17.7288 -17.7288 -17.7280 -17.7280 -1.7284 -1.7284 -1.7266 -1.7266 -0.2521 -0.2521 -0.2505 -0.2505 -0.0922 -0.0922 -0.0894 -0.0894 0.4251 0.4251 0.4369 0.4369 0.8946 0.8946 0.8962 0.8962 1.5543 1.5543 1.5598 1.5598 3.2350 3.2350 3.2568 3.2568 3.3962 3.3962 3.4192 3.4192 3.7464 3.7464 3.7700 3.7700 4.3697 4.3697 4.4313 4.4313 4.9029 4.9029 4.9469 4.9469 11.1780 11.1780 11.1790 11.1790 14.0347 14.0347 14.0418 14.0418 k = 0.5000-0.0000 0.2276 ( 2772 PWs) bands (ev): -18.1350 -18.1350 -18.1348 -18.1348 -17.7242 -17.7242 -17.7234 -17.7234 -1.7106 -1.7106 -1.7088 -1.7088 -0.2660 -0.2660 -0.2645 -0.2645 -0.0981 -0.0981 -0.0952 -0.0952 0.4084 0.4084 0.4196 0.4196 0.8762 0.8762 0.8781 0.8781 1.5797 1.5797 1.5845 1.5845 3.2469 3.2469 3.2672 3.2672 3.4022 3.4022 3.4263 3.4263 3.7416 3.7416 3.7654 3.7654 4.3796 4.3796 4.4403 4.4403 4.9045 4.9045 4.9480 4.9480 11.1301 11.1301 11.1309 11.1309 14.0961 14.0961 14.1032 14.1032 k = 0.5000-0.0000 0.2134 ( 2776 PWs) bands (ev): -18.1392 -18.1392 -18.1390 -18.1390 -17.7198 -17.7198 -17.7190 -17.7190 -1.6924 -1.6924 -1.6906 -1.6906 -0.2818 -0.2818 -0.2804 -0.2804 -0.1023 -0.1023 -0.0995 -0.0995 0.3920 0.3920 0.4027 0.4027 0.8585 0.8585 0.8606 0.8606 1.6044 1.6044 1.6087 1.6087 3.2588 3.2588 3.2772 3.2772 3.4076 3.4076 3.4328 3.4328 3.7369 3.7369 3.7608 3.7608 4.3893 4.3893 4.4487 4.4487 4.9066 4.9066 4.9494 4.9494 11.0840 11.0840 11.0848 11.0848 14.1558 14.1558 14.1629 14.1629 k = 0.5000-0.0000 0.1992 ( 2776 PWs) bands (ev): -18.1432 -18.1432 -18.1430 -18.1430 -17.7155 -17.7155 -17.7148 -17.7148 -1.6739 -1.6739 -1.6723 -1.6723 -0.2991 -0.2991 -0.2977 -0.2977 -0.1051 -0.1051 -0.1024 -0.1024 0.3763 0.3763 0.3865 0.3865 0.8416 0.8416 0.8438 0.8438 1.6283 1.6283 1.6320 1.6320 3.2704 3.2704 3.2870 3.2870 3.4126 3.4126 3.4388 3.4388 3.7323 3.7323 3.7561 3.7561 4.3986 4.3986 4.4563 4.4563 4.9095 4.9095 4.9511 4.9511 11.0401 11.0401 11.0408 11.0408 14.2137 14.2137 14.2206 14.2206 k = 0.5000-0.0000 0.1849 ( 2774 PWs) bands (ev): -18.1470 -18.1470 -18.1469 -18.1469 -17.7114 -17.7114 -17.7108 -17.7108 -1.6554 -1.6554 -1.6538 -1.6538 -0.3174 -0.3174 -0.3161 -0.3161 -0.1069 -0.1069 -0.1042 -0.1042 0.3612 0.3612 0.3708 0.3708 0.8256 0.8256 0.8278 0.8278 1.6513 1.6513 1.6545 1.6545 3.2817 3.2817 3.2964 3.2964 3.4171 3.4171 3.4440 3.4440 3.7280 3.7280 3.7516 3.7516 4.4074 4.4074 4.4630 4.4630 4.9129 4.9129 4.9532 4.9532 10.9984 10.9984 10.9990 10.9990 14.2693 14.2693 14.2761 14.2761 k = 0.5000-0.0000 0.1707 ( 2774 PWs) bands (ev): -18.1506 -18.1506 -18.1505 -18.1505 -17.7076 -17.7076 -17.7070 -17.7070 -1.6369 -1.6369 -1.6354 -1.6354 -0.3363 -0.3363 -0.3351 -0.3351 -0.1078 -0.1078 -0.1052 -0.1052 0.3468 0.3468 0.3559 0.3559 0.8106 0.8106 0.8129 0.8129 1.6731 1.6731 1.6760 1.6760 3.2927 3.2927 3.3053 3.3053 3.4210 3.4210 3.4486 3.4486 3.7240 3.7240 3.7471 3.7471 4.4158 4.4158 4.4689 4.4689 4.9169 4.9169 4.9554 4.9554 10.9591 10.9591 10.9597 10.9597 14.3225 14.3225 14.3291 14.3291 k = 0.5000-0.0000 0.1565 ( 2780 PWs) bands (ev): -18.1540 -18.1540 -18.1539 -18.1539 -17.7040 -17.7040 -17.7034 -17.7034 -1.6187 -1.6187 -1.6173 -1.6173 -0.3556 -0.3556 -0.3544 -0.3544 -0.1080 -0.1080 -0.1055 -0.1055 0.3332 0.3332 0.3417 0.3417 0.7967 0.7967 0.7989 0.7989 1.6938 1.6938 1.6962 1.6962 3.3032 3.3032 3.3138 3.3138 3.4245 3.4245 3.4524 3.4524 3.7203 3.7203 3.7427 3.7427 4.4236 4.4236 4.4738 4.4738 4.9214 4.9214 4.9578 4.9578 10.9224 10.9224 10.9229 10.9229 14.3728 14.3728 14.3792 14.3792 k = 0.5000-0.0000 0.1423 ( 2774 PWs) bands (ev): -18.1572 -18.1572 -18.1571 -18.1571 -17.7006 -17.7006 -17.7001 -17.7001 -1.6009 -1.6009 -1.5996 -1.5996 -0.3747 -0.3747 -0.3736 -0.3736 -0.1077 -0.1077 -0.1054 -0.1054 0.3206 0.3206 0.3284 0.3284 0.7838 0.7838 0.7860 0.7860 1.7131 1.7131 1.7152 1.7152 3.3133 3.3133 3.3218 3.3218 3.4276 3.4276 3.4555 3.4555 3.7171 3.7171 3.7386 3.7386 4.4309 4.4309 4.4778 4.4778 4.9263 4.9263 4.9603 4.9603 10.8884 10.8884 10.8888 10.8888 14.4202 14.4202 14.4263 14.4263 k = 0.5000-0.0000 0.1280 ( 2776 PWs) bands (ev): -18.1601 -18.1601 -18.1600 -18.1600 -17.6975 -17.6975 -17.6970 -17.6970 -1.5838 -1.5838 -1.5825 -1.5825 -0.3935 -0.3935 -0.3924 -0.3924 -0.1071 -0.1071 -0.1050 -0.1050 0.3089 0.3089 0.3160 0.3160 0.7722 0.7722 0.7742 0.7742 1.7310 1.7310 1.7328 1.7328 3.3226 3.3226 3.3292 3.3292 3.4303 3.4303 3.4578 3.4578 3.7143 3.7143 3.7346 3.7346 4.4377 4.4377 4.4808 4.4808 4.9314 4.9314 4.9628 4.9628 10.8572 10.8572 10.8576 10.8576 14.4641 14.4641 14.4699 14.4699 k = 0.5000-0.0000 0.1138 ( 2776 PWs) bands (ev): -18.1627 -18.1627 -18.1626 -18.1626 -17.6947 -17.6947 -17.6943 -17.6943 -1.5674 -1.5674 -1.5663 -1.5663 -0.4114 -0.4114 -0.4104 -0.4104 -0.1063 -0.1063 -0.1043 -0.1043 0.2982 0.2982 0.3047 0.3047 0.7617 0.7617 0.7636 0.7636 1.7473 1.7473 1.7488 1.7488 3.3313 3.3313 3.3360 3.3360 3.4328 3.4328 3.4594 3.4594 3.7119 3.7119 3.7308 3.7308 4.4438 4.4438 4.4830 4.4830 4.9368 4.9368 4.9652 4.9652 10.8290 10.8290 10.8294 10.8294 14.5045 14.5045 14.5098 14.5098 k = 0.5000-0.0000 0.0996 ( 2778 PWs) bands (ev): -18.1650 -18.1650 -18.1650 -18.1650 -17.6922 -17.6922 -17.6918 -17.6918 -1.5522 -1.5522 -1.5512 -1.5512 -0.4282 -0.4282 -0.4273 -0.4273 -0.1054 -0.1054 -0.1036 -0.1036 0.2887 0.2887 0.2944 0.2944 0.7524 0.7524 0.7541 0.7541 1.7619 1.7619 1.7632 1.7632 3.3392 3.3392 3.3422 3.3422 3.4350 3.4350 3.4602 3.4602 3.7101 3.7101 3.7273 3.7273 4.4495 4.4495 4.4844 4.4844 4.9421 4.9421 4.9674 4.9674 10.8038 10.8038 10.8041 10.8041 14.5410 14.5410 14.5458 14.5458 k = 0.5000-0.0000 0.0854 ( 2780 PWs) bands (ev): -18.1671 -18.1671 -18.1670 -18.1670 -17.6900 -17.6900 -17.6897 -17.6897 -1.5384 -1.5384 -1.5375 -1.5375 -0.4436 -0.4436 -0.4428 -0.4428 -0.1044 -0.1044 -0.1028 -0.1028 0.2804 0.2804 0.2853 0.2853 0.7443 0.7443 0.7459 0.7459 1.7748 1.7748 1.7759 1.7759 3.3461 3.3461 3.3477 3.3477 3.4372 3.4372 3.4604 3.4604 3.7088 3.7088 3.7240 3.7240 4.4546 4.4546 4.4850 4.4850 4.9474 4.9474 4.9693 4.9693 10.7818 10.7818 10.7821 10.7821 14.5732 14.5732 14.5775 14.5775 k = 0.5000-0.0000 0.0711 ( 2778 PWs) bands (ev): -18.1688 -18.1688 -18.1688 -18.1688 -17.6881 -17.6881 -17.6879 -17.6879 -1.5261 -1.5261 -1.5253 -1.5253 -0.4573 -0.4573 -0.4566 -0.4566 -0.1034 -0.1034 -0.1021 -0.1021 0.2733 0.2733 0.2775 0.2775 0.7375 0.7375 0.7388 0.7388 1.7859 1.7859 1.7868 1.7868 3.3520 3.3520 3.3526 3.3526 3.4393 3.4393 3.4600 3.4600 3.7079 3.7079 3.7210 3.7210 4.4593 4.4593 4.4849 4.4849 4.9523 4.9523 4.9708 4.9708 10.7631 10.7631 10.7633 10.7633 14.6011 14.6011 14.6048 14.6048 k = 0.5000-0.0000 0.0569 ( 2774 PWs) bands (ev): -18.1702 -18.1702 -18.1702 -18.1702 -17.6866 -17.6866 -17.6864 -17.6864 -1.5156 -1.5156 -1.5149 -1.5149 -0.4689 -0.4689 -0.4683 -0.4683 -0.1025 -0.1025 -0.1014 -0.1014 0.2675 0.2675 0.2709 0.2709 0.7320 0.7320 0.7331 0.7331 1.7951 1.7951 1.7958 1.7958 3.3567 3.3567 3.3569 3.3569 3.4415 3.4415 3.4590 3.4590 3.7076 3.7076 3.7183 3.7183 4.4636 4.4636 4.4843 4.4843 4.9570 4.9570 4.9719 4.9719 10.7476 10.7476 10.7478 10.7478 14.6243 14.6243 14.6273 14.6273 k = 0.5000-0.0000 0.0427 ( 2770 PWs) bands (ev): -18.1714 -18.1714 -18.1713 -18.1713 -17.6853 -17.6853 -17.6852 -17.6852 -1.5071 -1.5071 -1.5066 -1.5066 -0.4782 -0.4782 -0.4778 -0.4778 -0.1017 -0.1017 -0.1009 -0.1009 0.2631 0.2631 0.2656 0.2656 0.7277 0.7277 0.7285 0.7285 1.8023 1.8023 1.8028 1.8028 3.3601 3.3601 3.3606 3.3606 3.4438 3.4438 3.4575 3.4575 3.7076 3.7076 3.7158 3.7158 4.4675 4.4675 4.4831 4.4831 4.9611 4.9611 4.9724 4.9724 10.7355 10.7355 10.7357 10.7357 14.6427 14.6427 14.6450 14.6450 k = 0.5000-0.0000 0.0285 ( 2770 PWs) bands (ev): -18.1722 -18.1722 -18.1721 -18.1721 -17.6845 -17.6845 -17.6844 -17.6844 -1.5009 -1.5009 -1.5006 -1.5006 -0.4850 -0.4850 -0.4847 -0.4847 -0.1011 -0.1011 -0.1005 -0.1005 0.2600 0.2600 0.2617 0.2617 0.7247 0.7247 0.7252 0.7252 1.8076 1.8076 1.8079 1.8079 3.3626 3.3626 3.3631 3.3631 3.4462 3.4462 3.4556 3.4556 3.7081 3.7081 3.7136 3.7136 4.4710 4.4710 4.4814 4.4814 4.9647 4.9647 4.9722 4.9722 10.7269 10.7269 10.7270 10.7270 14.6561 14.6561 14.6576 14.6576 k = 0.5000-0.0000 0.0142 ( 2776 PWs) bands (ev): -18.1726 -18.1726 -18.1726 -18.1726 -17.6839 -17.6839 -17.6839 -17.6839 -1.4971 -1.4971 -1.4969 -1.4969 -0.4892 -0.4892 -0.4890 -0.4890 -0.1007 -0.1007 -0.1004 -0.1004 0.2583 0.2583 0.2591 0.2591 0.7229 0.7229 0.7232 0.7232 1.8107 1.8107 1.8109 1.8109 3.3642 3.3642 3.3645 3.3645 3.4486 3.4486 3.4534 3.4534 3.7089 3.7089 3.7117 3.7117 4.4741 4.4741 4.4794 4.4794 4.9675 4.9675 4.9713 4.9713 10.7217 10.7217 10.7217 10.7217 14.6643 14.6643 14.6651 14.6651 k = 0.5000-0.0000-0.0000 ( 2780 PWs) bands (ev): -18.1728 -18.1728 -18.1728 -18.1728 -17.6837 -17.6837 -17.6837 -17.6837 -1.4958 -1.4958 -1.4958 -1.4958 -0.4905 -0.4905 -0.4905 -0.4905 -0.1004 -0.1004 -0.1004 -0.1004 0.2580 0.2580 0.2580 0.2580 0.7224 0.7224 0.7224 0.7224 1.8118 1.8118 1.8118 1.8118 3.3648 3.3648 3.3648 3.3648 3.4510 3.4510 3.4510 3.4510 3.7102 3.7102 3.7102 3.7102 4.4769 4.4769 4.4769 4.4769 4.9698 4.9698 4.9698 4.9698 10.7199 10.7199 10.7199 10.7199 14.6673 14.6673 14.6673 14.6673 k = 0.0000 0.0000 0.4979 ( 2758 PWs) bands (ev): -18.1702 -18.1702 -18.1702 -18.1702 -17.6873 -17.6873 -17.6873 -17.6873 -1.4536 -1.4536 -1.4536 -1.4536 -0.5824 -0.5824 -0.5824 -0.5824 -0.0272 -0.0272 -0.0272 -0.0272 0.2978 0.2978 0.2978 0.2978 0.7032 0.7032 0.7032 0.7032 1.7628 1.7628 1.7628 1.7628 3.3741 3.3741 3.3741 3.3741 3.4569 3.4569 3.4569 3.4569 3.7131 3.7131 3.7131 3.7131 4.4969 4.4969 4.4969 4.4969 4.9257 4.9257 4.9257 4.9257 10.7025 10.7025 10.7025 10.7025 14.6442 14.6442 14.6442 14.6442 k = 0.0143-0.0000 0.4979 ( 2752 PWs) bands (ev): -18.1700 -18.1700 -18.1700 -18.1700 -17.6875 -17.6875 -17.6875 -17.6875 -1.4552 -1.4552 -1.4549 -1.4549 -0.5810 -0.5810 -0.5808 -0.5808 -0.0273 -0.0273 -0.0271 -0.0271 0.2982 0.2982 0.2991 0.2991 0.7035 0.7035 0.7039 0.7039 1.7618 1.7618 1.7619 1.7619 3.3735 3.3735 3.3736 3.3736 3.4548 3.4548 3.4590 3.4590 3.7119 3.7119 3.7146 3.7146 4.4941 4.4941 4.4993 4.4993 4.9236 4.9236 4.9274 4.9274 10.7043 10.7043 10.7043 10.7043 14.6416 14.6416 14.6418 14.6418 k = 0.0286-0.0000 0.4979 ( 2752 PWs) bands (ev): -18.1696 -18.1696 -18.1695 -18.1695 -17.6881 -17.6881 -17.6880 -17.6880 -1.4598 -1.4598 -1.4592 -1.4592 -0.5766 -0.5766 -0.5762 -0.5762 -0.0273 -0.0273 -0.0269 -0.0269 0.3000 0.3000 0.3019 0.3019 0.7047 0.7047 0.7054 0.7054 1.7590 1.7590 1.7592 1.7592 3.3719 3.3719 3.3719 3.3719 3.4526 3.4526 3.4608 3.4608 3.7111 3.7111 3.7163 3.7163 4.4908 4.4908 4.5011 4.5011 4.9211 4.9211 4.9286 4.9286 10.7096 10.7096 10.7096 10.7096 14.6338 14.6338 14.6343 14.6343 k = 0.0429-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1688 -18.1688 -18.1688 -18.1688 -17.6889 -17.6889 -17.6888 -17.6888 -1.4671 -1.4671 -1.4662 -1.4662 -0.5695 -0.5695 -0.5688 -0.5688 -0.0272 -0.0272 -0.0266 -0.0266 0.3034 0.3034 0.3062 0.3062 0.7068 0.7068 0.7078 0.7078 1.7544 1.7544 1.7548 1.7548 3.3691 3.3691 3.3694 3.3694 3.4504 3.4504 3.4623 3.4623 3.7106 3.7106 3.7183 3.7183 4.4870 4.4870 4.5024 4.5024 4.9181 4.9181 4.9293 4.9293 10.7184 10.7184 10.7185 10.7185 14.6211 14.6211 14.6218 14.6218 k = 0.0571-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.1677 -18.1677 -18.1677 -18.1677 -17.6901 -17.6901 -17.6899 -17.6899 -1.4770 -1.4770 -1.4759 -1.4759 -0.5597 -0.5597 -0.5589 -0.5589 -0.0270 -0.0270 -0.0263 -0.0263 0.3084 0.3084 0.3121 0.3121 0.7098 0.7098 0.7112 0.7112 1.7480 1.7480 1.7485 1.7485 3.3651 3.3651 3.3659 3.3659 3.4483 3.4483 3.4635 3.4635 3.7105 3.7105 3.7205 3.7205 4.4828 4.4828 4.5031 4.5031 4.9148 4.9148 4.9296 4.9296 10.7306 10.7306 10.7308 10.7308 14.6035 14.6035 14.6044 14.6044 k = 0.0714-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.1663 -18.1663 -18.1662 -18.1662 -17.6916 -17.6916 -17.6914 -17.6914 -1.4892 -1.4892 -1.4879 -1.4879 -0.5476 -0.5476 -0.5466 -0.5466 -0.0267 -0.0267 -0.0258 -0.0258 0.3148 0.3148 0.3194 0.3194 0.7138 0.7138 0.7154 0.7154 1.7399 1.7399 1.7406 1.7406 3.3600 3.3600 3.3616 3.3616 3.4462 3.4462 3.4642 3.4642 3.7109 3.7109 3.7230 3.7230 4.4780 4.4780 4.5032 4.5032 4.9112 4.9112 4.9296 4.9296 10.7463 10.7463 10.7465 10.7465 14.5811 14.5811 14.5822 14.5822 k = 0.0857-0.0000 0.4979 ( 2766 PWs) bands (ev): -18.1646 -18.1646 -18.1645 -18.1645 -17.6934 -17.6934 -17.6931 -17.6931 -1.5035 -1.5035 -1.5019 -1.5019 -0.5335 -0.5335 -0.5324 -0.5324 -0.0262 -0.0262 -0.0252 -0.0252 0.3226 0.3226 0.3282 0.3282 0.7187 0.7187 0.7206 0.7206 1.7302 1.7302 1.7310 1.7310 3.3538 3.3538 3.3565 3.3565 3.4441 3.4441 3.4644 3.4644 3.7117 3.7117 3.7258 3.7258 4.4727 4.4727 4.5025 4.5025 4.9075 4.9075 4.9293 4.9293 10.7654 10.7654 10.7656 10.7656 14.5542 14.5542 14.5555 14.5555 k = 0.1000-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1626 -18.1626 -18.1625 -18.1625 -17.6956 -17.6956 -17.6952 -17.6952 -1.5194 -1.5194 -1.5177 -1.5177 -0.5177 -0.5177 -0.5165 -0.5165 -0.0256 -0.0256 -0.0245 -0.0245 0.3318 0.3318 0.3384 0.3384 0.7246 0.7246 0.7268 0.7268 1.7188 1.7188 1.7198 1.7198 3.3466 3.3466 3.3506 3.3506 3.4420 3.4420 3.4640 3.4640 3.7129 3.7129 3.7288 3.7288 4.4668 4.4668 4.5011 4.5011 4.9037 4.9037 4.9288 4.9288 10.7877 10.7877 10.7880 10.7880 14.5229 14.5229 14.5244 14.5244 k = 0.1143-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1603 -18.1603 -18.1602 -18.1602 -17.6980 -17.6980 -17.6976 -17.6976 -1.5368 -1.5368 -1.5349 -1.5349 -0.5006 -0.5006 -0.4993 -0.4993 -0.0249 -0.0249 -0.0236 -0.0236 0.3423 0.3423 0.3499 0.3499 0.7314 0.7314 0.7339 0.7339 1.7060 1.7060 1.7071 1.7071 3.3385 3.3385 3.3440 3.3440 3.4397 3.4397 3.4630 3.4630 3.7146 3.7146 3.7320 3.7320 4.4603 4.4603 4.4989 4.4989 4.9001 4.9001 4.9282 4.9282 10.8133 10.8133 10.8135 10.8135 14.4876 14.4876 14.4893 14.4893 k = 0.1286-0.0000 0.4979 ( 2766 PWs) bands (ev): -18.1577 -18.1577 -18.1576 -18.1576 -17.7007 -17.7007 -17.7003 -17.7003 -1.5553 -1.5553 -1.5533 -1.5533 -0.4825 -0.4825 -0.4812 -0.4812 -0.0239 -0.0239 -0.0225 -0.0225 0.3541 0.3541 0.3626 0.3626 0.7392 0.7392 0.7420 0.7420 1.6917 1.6917 1.6930 1.6930 3.3296 3.3296 3.3366 3.3366 3.4371 3.4371 3.4613 3.4613 3.7168 3.7168 3.7354 3.7354 4.4532 4.4532 4.4957 4.4957 4.8966 4.8966 4.9276 4.9276 10.8420 10.8420 10.8422 10.8422 14.4483 14.4483 14.4502 14.4502 k = 0.1429-0.0000 0.4979 ( 2766 PWs) bands (ev): -18.1549 -18.1549 -18.1548 -18.1548 -17.7037 -17.7037 -17.7032 -17.7032 -1.5746 -1.5746 -1.5725 -1.5725 -0.4637 -0.4637 -0.4624 -0.4624 -0.0227 -0.0227 -0.0212 -0.0212 0.3669 0.3669 0.3764 0.3764 0.7480 0.7480 0.7510 0.7510 1.6760 1.6760 1.6776 1.6776 3.3199 3.3199 3.3286 3.3286 3.4342 3.4342 3.4589 3.4589 3.7195 3.7195 3.7390 3.7390 4.4455 4.4455 4.4915 4.4915 4.8934 4.8934 4.9270 4.9270 10.8736 10.8736 10.8739 10.8739 14.4055 14.4055 14.4076 14.4076 k = 0.1571-0.0000 0.4979 ( 2768 PWs) bands (ev): -18.1518 -18.1518 -18.1517 -18.1517 -17.7070 -17.7070 -17.7064 -17.7064 -1.5945 -1.5945 -1.5923 -1.5923 -0.4446 -0.4446 -0.4432 -0.4432 -0.0213 -0.0213 -0.0197 -0.0197 0.3807 0.3807 0.3912 0.3912 0.7578 0.7578 0.7610 0.7610 1.6592 1.6592 1.6609 1.6609 3.3096 3.3096 3.3200 3.3200 3.4309 3.4309 3.4558 3.4558 3.7225 3.7225 3.7428 3.7428 4.4371 4.4371 4.4864 4.4864 4.8907 4.8907 4.9265 4.9265 10.9082 10.9082 10.9084 10.9084 14.3593 14.3593 14.3616 14.3616 k = 0.1714-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.1485 -18.1485 -18.1484 -18.1484 -17.7105 -17.7105 -17.7099 -17.7099 -1.6148 -1.6148 -1.6125 -1.6125 -0.4253 -0.4253 -0.4240 -0.4240 -0.0195 -0.0195 -0.0179 -0.0179 0.3955 0.3955 0.4069 0.4069 0.7686 0.7686 0.7720 0.7720 1.6412 1.6412 1.6432 1.6432 3.2988 3.2988 3.3108 3.3108 3.4271 3.4271 3.4520 3.4520 3.7260 3.7260 3.7468 3.7468 4.4282 4.4282 4.4803 4.4803 4.8884 4.8884 4.9262 4.9262 10.9455 10.9455 10.9457 10.9457 14.3101 14.3101 14.3125 14.3125 k = 0.1857-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1450 -18.1450 -18.1448 -18.1448 -17.7142 -17.7142 -17.7135 -17.7135 -1.6352 -1.6352 -1.6329 -1.6329 -0.4062 -0.4062 -0.4049 -0.4049 -0.0175 -0.0175 -0.0158 -0.0158 0.4109 0.4109 0.4233 0.4233 0.7805 0.7805 0.7841 0.7841 1.6222 1.6222 1.6245 1.6245 3.2875 3.2875 3.3012 3.3012 3.4229 3.4229 3.4475 3.4475 3.7298 3.7298 3.7510 3.7510 4.4187 4.4187 4.4733 4.4733 4.8868 4.8868 4.9261 4.9261 10.9853 10.9853 10.9857 10.9857 14.2581 14.2581 14.2607 14.2607 k = 0.2000-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1412 -18.1412 -18.1411 -18.1411 -17.7182 -17.7182 -17.7174 -17.7174 -1.6556 -1.6556 -1.6532 -1.6532 -0.3874 -0.3874 -0.3861 -0.3861 -0.0151 -0.0151 -0.0134 -0.0134 0.4270 0.4270 0.4403 0.4403 0.7934 0.7934 0.7970 0.7970 1.6023 1.6023 1.6050 1.6050 3.2759 3.2759 3.2911 3.2911 3.4181 3.4181 3.4423 3.4423 3.7339 3.7339 3.7553 3.7553 4.4087 4.4087 4.4653 4.4653 4.8856 4.8856 4.9263 4.9263 11.0277 11.0277 11.0280 11.0280 14.2035 14.2035 14.2063 14.2063 k = 0.2143-0.0000 0.4979 ( 2758 PWs) bands (ev): -18.1373 -18.1373 -18.1371 -18.1371 -17.7223 -17.7223 -17.7215 -17.7215 -1.6758 -1.6758 -1.6734 -1.6734 -0.3692 -0.3692 -0.3679 -0.3679 -0.0123 -0.0123 -0.0107 -0.0107 0.4435 0.4435 0.4578 0.4578 0.8074 0.8074 0.8110 0.8110 1.5817 1.5817 1.5847 1.5847 3.2640 3.2640 3.2806 3.2806 3.4128 3.4128 3.4364 3.4364 3.7383 3.7383 3.7597 3.7597 4.3984 4.3984 4.4566 4.4566 4.8851 4.8851 4.9267 4.9267 11.0724 11.0724 11.0727 11.0727 14.1468 14.1468 14.1498 14.1498 k = 0.2286-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.1332 -18.1332 -18.1330 -18.1330 -17.7266 -17.7266 -17.7258 -17.7258 -1.6957 -1.6957 -1.6933 -1.6933 -0.3516 -0.3516 -0.3503 -0.3503 -0.0091 -0.0091 -0.0076 -0.0076 0.4603 0.4603 0.4755 0.4755 0.8223 0.8223 0.8258 0.8258 1.5604 1.5604 1.5639 1.5639 3.2519 3.2519 3.2699 3.2699 3.4069 3.4069 3.4299 3.4299 3.7428 3.7428 3.7642 3.7642 4.3876 4.3876 4.4472 4.4472 4.8852 4.8852 4.9275 4.9275 11.1191 11.1191 11.1195 11.1195 14.0881 14.0881 14.0912 14.0912 k = 0.2429-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1289 -18.1289 -18.1288 -18.1288 -17.7310 -17.7310 -17.7302 -17.7302 -1.7151 -1.7151 -1.7128 -1.7128 -0.3349 -0.3349 -0.3336 -0.3336 -0.0055 -0.0055 -0.0041 -0.0041 0.4773 0.4773 0.4934 0.4934 0.8381 0.8381 0.8415 0.8415 1.5387 1.5387 1.5426 1.5426 3.2396 3.2396 3.2589 3.2589 3.4005 3.4005 3.4228 3.4228 3.7474 3.7474 3.7686 3.7686 4.3766 4.3766 4.4372 4.4372 4.8858 4.8858 4.9285 4.9285 11.1679 11.1679 11.1682 11.1682 14.0277 14.0277 14.0310 14.0310 k = 0.2571-0.0000 0.4979 ( 2758 PWs) bands (ev): -18.1246 -18.1246 -18.1244 -18.1244 -17.7356 -17.7356 -17.7347 -17.7347 -1.7340 -1.7340 -1.7316 -1.7316 -0.3191 -0.3191 -0.3178 -0.3178 -0.0015 -0.0015 -0.0002 -0.0002 0.4944 0.4944 0.5113 0.5113 0.8547 0.8547 0.8579 0.8579 1.5166 1.5166 1.5210 1.5210 3.2274 3.2274 3.2478 3.2478 3.3936 3.3936 3.4152 3.4152 3.7520 3.7520 3.7730 3.7730 4.3656 4.3656 4.4268 4.4268 4.8868 4.8868 4.9297 4.9297 11.2183 11.2183 11.2187 11.2187 13.9659 13.9659 13.9693 13.9693 k = 0.2714-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1201 -18.1201 -18.1200 -18.1200 -17.7403 -17.7403 -17.7393 -17.7393 -1.7522 -1.7522 -1.7499 -1.7499 -0.3044 -0.3044 -0.3030 -0.3030 0.0029 0.0029 0.0041 0.0041 0.5113 0.5113 0.5290 0.5290 0.8721 0.8721 0.8750 0.8750 1.4943 1.4943 1.4992 1.4992 3.2151 3.2151 3.2366 3.2366 3.3863 3.3863 3.4072 3.4072 3.7566 3.7566 3.7774 3.7774 4.3545 4.3545 4.4162 4.4162 4.8883 4.8883 4.9312 4.9312 11.2703 11.2703 11.2707 11.2707 13.9030 13.9030 13.9066 13.9066 k = 0.2857-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1156 -18.1156 -18.1155 -18.1155 -17.7449 -17.7449 -17.7439 -17.7439 -1.7697 -1.7697 -1.7673 -1.7673 -0.2908 -0.2908 -0.2893 -0.2893 0.0077 0.0077 0.0087 0.0087 0.5280 0.5280 0.5464 0.5464 0.8899 0.8899 0.8925 0.8925 1.4720 1.4720 1.4775 1.4775 3.2030 3.2030 3.2254 3.2254 3.3787 3.3787 3.3988 3.3988 3.7612 3.7612 3.7816 3.7816 4.3436 4.3436 4.4054 4.4054 4.8901 4.8901 4.9329 4.9329 11.3237 11.3237 11.3241 11.3241 13.8392 13.8392 13.8430 13.8430 k = 0.3000-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1111 -18.1111 -18.1110 -18.1110 -17.7497 -17.7497 -17.7486 -17.7486 -1.7863 -1.7863 -1.7840 -1.7840 -0.2783 -0.2783 -0.2767 -0.2767 0.0129 0.0129 0.0136 0.0136 0.5443 0.5443 0.5636 0.5636 0.9082 0.9082 0.9103 0.9103 1.4499 1.4499 1.4560 1.4560 3.1910 3.1910 3.2143 3.2143 3.3707 3.3707 3.3902 3.3902 3.7655 3.7655 3.7857 3.7857 4.3329 4.3329 4.3948 4.3948 4.8922 4.8922 4.9347 4.9347 11.3780 11.3780 11.3785 11.3785 13.7749 13.7749 13.7788 13.7788 k = 0.3143-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1066 -18.1066 -18.1065 -18.1065 -17.7544 -17.7544 -17.7533 -17.7533 -1.8021 -1.8021 -1.7997 -1.7997 -0.2669 -0.2669 -0.2652 -0.2652 0.0184 0.0184 0.0188 0.0188 0.5603 0.5603 0.5802 0.5802 0.9266 0.9266 0.9282 0.9282 1.4280 1.4280 1.4348 1.4348 3.1793 3.1793 3.2034 3.2034 3.3626 3.3626 3.3814 3.3814 3.7697 3.7697 3.7896 3.7896 4.3226 4.3226 4.3844 4.3844 4.8945 4.8945 4.9367 4.9367 11.4332 11.4332 11.4337 11.4337 13.7104 13.7104 13.7145 13.7145 k = 0.3286-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1021 -18.1021 -18.1020 -18.1020 -17.7590 -17.7590 -17.7579 -17.7579 -1.8169 -1.8169 -1.8145 -1.8145 -0.2567 -0.2567 -0.2549 -0.2549 0.0241 0.0241 0.0243 0.0243 0.5757 0.5757 0.5964 0.5964 0.9449 0.9449 0.9459 0.9459 1.4066 1.4066 1.4142 1.4142 3.1679 3.1679 3.1927 3.1927 3.3544 3.3544 3.3726 3.3726 3.7737 3.7737 3.7932 3.7932 4.3127 4.3127 4.3743 4.3743 4.8969 4.8969 4.9387 4.9387 11.4888 11.4888 11.4893 11.4893 13.6460 13.6460 13.6503 13.6503 k = 0.3429-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.0978 -18.0978 -18.0977 -18.0977 -17.7635 -17.7635 -17.7623 -17.7623 -1.8307 -1.8307 -1.8283 -1.8283 -0.2476 -0.2476 -0.2456 -0.2456 0.0298 0.0298 0.0299 0.0299 0.5906 0.5906 0.6119 0.6119 0.9628 0.9628 0.9632 0.9632 1.3859 1.3859 1.3944 1.3944 3.1569 3.1569 3.1823 3.1823 3.3462 3.3462 3.3638 3.3638 3.7774 3.7774 3.7967 3.7967 4.3034 4.3034 4.3647 4.3647 4.8994 4.8994 4.9407 4.9407 11.5445 11.5445 11.5450 11.5450 13.5822 13.5822 13.5866 13.5866 k = 0.3571-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.0936 -18.0936 -18.0935 -18.0935 -17.7679 -17.7679 -17.7667 -17.7667 -1.8434 -1.8434 -1.8410 -1.8410 -0.2396 -0.2396 -0.2374 -0.2374 0.0354 0.0354 0.0357 0.0357 0.6048 0.6048 0.6268 0.6268 0.9797 0.9797 0.9801 0.9801 1.3662 1.3662 1.3756 1.3756 3.1465 3.1465 3.1724 3.1724 3.3382 3.3382 3.3553 3.3553 3.7809 3.7809 3.7998 3.7998 4.2948 4.2948 4.3557 4.3557 4.9019 4.9019 4.9427 4.9427 11.5998 11.5998 11.6004 11.6004 13.5194 13.5194 13.5240 13.5240 k = 0.3714-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.0895 -18.0895 -18.0894 -18.0894 -17.7721 -17.7721 -17.7708 -17.7708 -1.8550 -1.8550 -1.8527 -1.8527 -0.2325 -0.2325 -0.2303 -0.2303 0.0409 0.0409 0.0415 0.0415 0.6182 0.6182 0.6409 0.6409 0.9953 0.9953 0.9963 0.9963 1.3476 1.3476 1.3580 1.3580 3.1366 3.1366 3.1630 3.1630 3.3305 3.3305 3.3471 3.3471 3.7840 3.7840 3.8027 3.8027 4.2868 4.2868 4.3474 4.3474 4.9042 4.9042 4.9447 4.9447 11.6543 11.6543 11.6550 11.6550 13.4581 13.4581 13.4628 13.4628 k = 0.3857-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.0857 -18.0857 -18.0857 -18.0857 -17.7760 -17.7760 -17.7747 -17.7747 -1.8655 -1.8655 -1.8632 -1.8632 -0.2265 -0.2265 -0.2241 -0.2241 0.0462 0.0462 0.0471 0.0471 0.6307 0.6307 0.6542 0.6542 1.0096 1.0096 1.0113 1.0113 1.3304 1.3304 1.3418 1.3418 3.1275 3.1275 3.1542 3.1542 3.3232 3.3232 3.3394 3.3394 3.7868 3.7868 3.8053 3.8053 4.2795 4.2795 4.3397 4.3397 4.9065 4.9065 4.9465 4.9465 11.7073 11.7073 11.7081 11.7081 13.3989 13.3989 13.4038 13.4038 k = 0.4000-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.0822 -18.0822 -18.0822 -18.0822 -17.7797 -17.7797 -17.7783 -17.7783 -1.8748 -1.8748 -1.8725 -1.8725 -0.2213 -0.2213 -0.2188 -0.2188 0.0512 0.0512 0.0523 0.0523 0.6423 0.6423 0.6665 0.6665 1.0223 1.0223 1.0248 1.0248 1.3149 1.3149 1.3273 1.3273 3.1191 3.1191 3.1461 3.1461 3.3164 3.3164 3.3323 3.3323 3.7893 3.7893 3.8075 3.8075 4.2730 4.2730 4.3329 4.3329 4.9086 4.9086 4.9482 4.9482 11.7581 11.7581 11.7591 11.7591 13.3425 13.3425 13.3477 13.3477 k = 0.4143-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.0790 -18.0790 -18.0790 -18.0790 -17.7829 -17.7829 -17.7816 -17.7816 -1.8829 -1.8829 -1.8806 -1.8806 -0.2170 -0.2170 -0.2143 -0.2143 0.0558 0.0558 0.0572 0.0572 0.6528 0.6528 0.6776 0.6776 1.0333 1.0333 1.0365 1.0365 1.3013 1.3013 1.3147 1.3147 3.1116 3.1116 3.1389 3.1389 3.3103 3.3103 3.3259 3.3259 3.7915 3.7915 3.8096 3.8096 4.2674 4.2674 4.3269 4.3269 4.9105 4.9105 4.9498 4.9498 11.8060 11.8060 11.8070 11.8070 13.2899 13.2899 13.2953 13.2953 k = 0.4286-0.0000 0.4979 ( 2752 PWs) bands (ev): -18.0763 -18.0763 -18.0762 -18.0762 -17.7858 -17.7858 -17.7844 -17.7844 -1.8898 -1.8898 -1.8875 -1.8875 -0.2134 -0.2134 -0.2106 -0.2106 0.0599 0.0599 0.0614 0.0614 0.6621 0.6621 0.6875 0.6875 1.0425 1.0425 1.0462 1.0462 1.2897 1.2897 1.3040 1.3040 3.1050 3.1050 3.1325 3.1325 3.3049 3.3049 3.3203 3.3203 3.7933 3.7933 3.8112 3.8112 4.2626 4.2626 4.3218 4.3218 4.9122 4.9122 4.9511 4.9511 11.8497 11.8497 11.8509 11.8509 13.2421 13.2421 13.2476 13.2476 k = 0.4429-0.0000 0.4979 ( 2748 PWs) bands (ev): -18.0739 -18.0739 -18.0739 -18.0739 -17.7882 -17.7882 -17.7868 -17.7868 -1.8955 -1.8955 -1.8932 -1.8932 -0.2105 -0.2105 -0.2077 -0.2077 0.0634 0.0634 0.0651 0.0651 0.6699 0.6699 0.6960 0.6960 1.0497 1.0497 1.0539 1.0539 1.2803 1.2803 1.2954 1.2954 3.0996 3.0996 3.1272 3.1272 3.3004 3.3004 3.3155 3.3155 3.7948 3.7948 3.8126 3.8126 4.2587 4.2587 4.3176 4.3176 4.9137 4.9137 4.9523 4.9523 11.8882 11.8882 11.8896 11.8896 13.2002 13.2002 13.2059 13.2059 k = 0.4571-0.0000 0.4979 ( 2754 PWs) bands (ev): -18.0720 -18.0720 -18.0720 -18.0720 -17.7902 -17.7902 -17.7887 -17.7887 -1.8999 -1.8999 -1.8977 -1.8977 -0.2084 -0.2084 -0.2054 -0.2054 0.0661 0.0661 0.0680 0.0680 0.6762 0.6762 0.7028 0.7028 1.0551 1.0551 1.0597 1.0597 1.2731 1.2731 1.2889 1.2889 3.0952 3.0952 3.1229 3.1229 3.2968 3.2968 3.3118 3.3118 3.7959 3.7959 3.8136 3.8136 4.2556 4.2556 4.3143 4.3143 4.9148 4.9148 4.9532 4.9532 11.9202 11.9202 11.9217 11.9217 13.1655 13.1655 13.1715 13.1715 k = 0.4714-0.0000 0.4979 ( 2754 PWs) bands (ev): -18.0707 -18.0707 -18.0707 -18.0707 -17.7916 -17.7916 -17.7901 -17.7901 -1.9031 -1.9031 -1.9009 -1.9009 -0.2068 -0.2068 -0.2038 -0.2038 0.0682 0.0682 0.0701 0.0701 0.6808 0.6808 0.7078 0.7078 1.0588 1.0588 1.0636 1.0636 1.2680 1.2680 1.2843 1.2843 3.0920 3.0920 3.1199 3.1199 3.2941 3.2941 3.3090 3.3090 3.7967 3.7967 3.8144 3.8144 4.2535 4.2535 4.3120 4.3120 4.9156 4.9156 4.9539 4.9539 11.9443 11.9443 11.9459 11.9459 13.1395 13.1395 13.1456 13.1456 k = 0.4857-0.0000 0.4979 ( 2754 PWs) bands (ev): -18.0698 -18.0698 -18.0698 -18.0698 -17.7924 -17.7924 -17.7910 -17.7910 -1.9050 -1.9050 -1.9028 -1.9028 -0.2059 -0.2059 -0.2029 -0.2029 0.0694 0.0694 0.0714 0.0714 0.6837 0.6837 0.7108 0.7108 1.0609 1.0609 1.0658 1.0658 1.2651 1.2651 1.2816 1.2816 3.0901 3.0901 3.1180 3.1180 3.2925 3.2925 3.3074 3.3074 3.7972 3.7972 3.8148 3.8148 4.2521 4.2521 4.3106 4.3106 4.9161 4.9161 4.9543 4.9543 11.9593 11.9593 11.9610 11.9610 13.1233 13.1233 13.1295 13.1295 k = 0.5000-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.0695 -18.0695 -18.0695 -18.0695 -17.7927 -17.7927 -17.7913 -17.7913 -1.9057 -1.9057 -1.9034 -1.9034 -0.2056 -0.2056 -0.2026 -0.2026 0.0698 0.0698 0.0718 0.0718 0.6846 0.6846 0.7119 0.7119 1.0616 1.0616 1.0665 1.0665 1.2641 1.2641 1.2808 1.2808 3.0894 3.0894 3.1173 3.1173 3.2920 3.2920 3.3069 3.3069 3.7974 3.7974 3.8149 3.8149 4.2517 4.2517 4.3101 4.3101 4.9162 4.9162 4.9544 4.9544 11.9644 11.9644 11.9661 11.9661 13.1178 13.1178 13.1241 13.1241 Writing output data file CuF2.save init_run : 3.25s CPU 16.42s WALL ( 1 calls) electrons : 570.66s CPU 582.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 3.04s WALL ( 1 calls) potinit : 0.19s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 570.61s CPU 582.25s WALL ( 1 calls) v_of_rho : 0.07s CPU 1.02s WALL ( 1 calls) v_h : 0.02s CPU 0.05s WALL ( 1 calls) v_xc : 0.04s CPU 0.59s WALL ( 1 calls) newd : 0.23s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 348 calls) cegterg : 394.71s CPU 397.48s WALL ( 348 calls) Called by sum_band: Called by *egterg: h_psi : 130.96s CPU 135.33s WALL ( 5969 calls) s_psi : 15.09s CPU 15.49s WALL ( 5969 calls) g_psi : 0.35s CPU 0.38s WALL ( 5273 calls) cdiaghg : 195.91s CPU 194.58s WALL ( 5621 calls) cegterg:over : 38.55s CPU 37.12s WALL ( 5273 calls) cegterg:upda : 6.68s CPU 8.36s WALL ( 5273 calls) cegterg:last : 5.21s CPU 5.58s WALL ( 1046 calls) Called by h_psi: h_psi:vloc : 98.43s CPU 101.67s WALL ( 5969 calls) h_psi:vnl : 32.42s CPU 33.22s WALL ( 5969 calls) add_vuspsi : 9.93s CPU 11.87s WALL ( 5969 calls) General routines calbec : 22.46s CPU 21.20s WALL ( 5969 calls) fft : 0.12s CPU 1.26s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 93.41s CPU 95.87s WALL ( 895124 calls) interpolate : 0.04s CPU 0.08s WALL ( 4 calls) davcio : 0.05s CPU 9.55s WALL ( 696 calls) Parallel routines fft_scatter : 65.66s CPU 65.81s WALL ( 895147 calls) PWSCF : 11m 4.30s CPU 14m26.35s WALL This run was terminated on: 0:50:48 14Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=