Program PWSCF v.5.4.0 starts on 3Aug2017 at 18:48:49 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxBH4x2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 124 70 20 3916 1664 258 Max 125 71 21 3918 1675 261 Sum 4469 2537 733 141019 60139 9327 bravais-lattice index = 14 lattice parameter (alat) = 13.1353 a.u. unit-cell volume = 1424.4288 (a.u.)^3 number of atoms/cell = 22 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.135296 celldm(2)= 1.000000 celldm(3)= 0.628523 celldm(4)= 0.000000 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.628523 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.591032 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Ca 10.00 40.07800 Ca( 1.00) B 3.00 10.81100 B( 1.00) 8 Sym. Ops., with inversion, found ( 4 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 90 deg rotation - cart. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3142615 ) isym = 4 90 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3142615 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3142615 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3142615 ) double point group C_4h (4/m) there are 16 classes and 8 irreducible representations the character table: E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3 G_5+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71 G_6+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71 G_7+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71 G_8+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71 G_5- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 G_6- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 G_7- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 G_8- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 s_h -s_h S4 -S4 G_5+ 0.00 0.00 0.71 -0.71 G_6+ 0.00 0.00 0.71 -0.71 G_7+ 0.00 0.00 -0.71 0.71 G_8+ 0.00 0.00 -0.71 0.71 G_5- 0.00 0.00 -0.71 0.71 G_6- 0.00 0.00 -0.71 0.71 G_7- 0.00 0.00 0.71 -0.71 G_8- 0.00 0.00 0.71 -0.71 imaginary part E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3 G_5+ 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 0.71 -0.71 G_6+ 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 -0.71 0.71 G_7+ 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 -0.71 0.71 G_8+ 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 0.71 -0.71 G_5- 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 G_6- 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 G_7- 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 G_8- 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 s_h -s_h S4 -S4 G_5+ 1.00 -1.00 -0.71 0.71 G_6+ -1.00 1.00 0.71 -0.71 G_7+ 1.00 -1.00 0.71 -0.71 G_8+ -1.00 1.00 -0.71 0.71 G_5- -1.00 1.00 0.71 -0.71 G_6- 1.00 -1.00 -0.71 0.71 G_7- -1.00 1.00 -0.71 0.71 G_8- 1.00 -1.00 0.71 -0.71 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C4 4 90 deg rotation - cart. axis [0,0,1] -C4 -4 90 deg rotation - cart. axis [0,0,1] E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E C4^3 3 90 deg rotation - cart. axis [0,0,-1] -C4^3 -3 90 deg rotation - cart. axis [0,0,-1] E i 5 inversion -i -5 inversion E S4^3 8 inv. 90 deg rotation - cart. axis [0,0,1] -S4^3 -8 inv. 90 deg rotation - cart. axis [0,0,1] E s_h 6 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -6 inv. 180 deg rotation - cart. axis [0,0,1] E S4 7 inv. 90 deg rotation - cart. axis [0,0,-1] -S4 -7 inv. 90 deg rotation - cart. axis [0,0,-1] E Cartesian axes number of k points= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0036630 k( 3) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0036630 k( 4) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0036630 k( 5) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0036630 k( 6) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0036630 k( 7) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0036630 k( 8) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0036630 k( 9) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0036630 k( 10) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0036630 k( 11) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0036630 k( 12) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0036630 k( 13) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0036630 k( 14) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0036630 k( 15) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0036630 k( 16) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0036630 k( 17) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0036630 k( 18) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0036630 k( 19) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0036630 k( 20) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0036630 k( 21) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0036630 k( 22) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0036630 k( 23) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0036630 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036630 k( 25) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036630 k( 26) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0036630 k( 27) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0036630 k( 28) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0036630 k( 29) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0036630 k( 30) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0036630 k( 31) = ( 0.1304348 0.5000000 -0.0000000), wk = 0.0036630 k( 32) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0036630 k( 33) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0036630 k( 34) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0036630 k( 35) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0036630 k( 36) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0036630 k( 37) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0036630 k( 38) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0036630 k( 39) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0036630 k( 40) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0036630 k( 41) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0036630 k( 42) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0036630 k( 43) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0036630 k( 44) = ( 0.4130435 0.5000000 -0.0000000), wk = 0.0036630 k( 45) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0036630 k( 46) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0036630 k( 47) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0036630 k( 48) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036630 k( 49) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036630 k( 50) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0036630 k( 51) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0036630 k( 52) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0036630 k( 53) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0036630 k( 54) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0036630 k( 55) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0036630 k( 56) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0036630 k( 57) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0036630 k( 58) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0036630 k( 59) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0036630 k( 60) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0036630 k( 61) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0036630 k( 62) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0036630 k( 63) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0036630 k( 64) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0036630 k( 65) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036630 k( 66) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0036630 k( 67) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0036630 k( 68) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0036630 k( 69) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0036630 k( 70) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0036630 k( 71) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0036630 k( 72) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0036630 k( 73) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0036630 k( 74) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0036630 k( 75) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0036630 k( 76) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0036630 k( 77) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0036630 k( 78) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0036630 k( 79) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0036630 k( 80) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0036630 k( 81) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 83) = ( 0.0000000 0.0000000 0.0220977), wk = 0.0036630 k( 84) = ( 0.0000000 0.0000000 0.0441953), wk = 0.0036630 k( 85) = ( 0.0000000 0.0000000 0.0662930), wk = 0.0036630 k( 86) = ( 0.0000000 0.0000000 0.0883907), wk = 0.0036630 k( 87) = ( 0.0000000 0.0000000 0.1104883), wk = 0.0036630 k( 88) = ( 0.0000000 0.0000000 0.1325860), wk = 0.0036630 k( 89) = ( 0.0000000 0.0000000 0.1546836), wk = 0.0036630 k( 90) = ( 0.0000000 0.0000000 0.1767813), wk = 0.0036630 k( 91) = ( 0.0000000 0.0000000 0.1988790), wk = 0.0036630 k( 92) = ( 0.0000000 0.0000000 0.2209766), wk = 0.0036630 k( 93) = ( 0.0000000 0.0000000 0.2430743), wk = 0.0036630 k( 94) = ( 0.0000000 0.0000000 0.2651720), wk = 0.0036630 k( 95) = ( 0.0000000 0.0000000 0.2872696), wk = 0.0036630 k( 96) = ( 0.0000000 0.0000000 0.3093673), wk = 0.0036630 k( 97) = ( 0.0000000 0.0000000 0.3314650), wk = 0.0036630 k( 98) = ( 0.0000000 0.0000000 0.3535626), wk = 0.0036630 k( 99) = ( 0.0000000 0.0000000 0.3756603), wk = 0.0036630 k( 100) = ( 0.0000000 0.0000000 0.3977580), wk = 0.0036630 k( 101) = ( 0.0000000 0.0000000 0.4198556), wk = 0.0036630 k( 102) = ( 0.0000000 0.0000000 0.4419533), wk = 0.0036630 k( 103) = ( 0.0000000 0.0000000 0.4640510), wk = 0.0036630 k( 104) = ( 0.0000000 0.0000000 0.4861486), wk = 0.0036630 k( 105) = ( 0.0000000 0.0000000 0.5082463), wk = 0.0036630 k( 106) = ( 0.0000000 0.0000000 0.5303439), wk = 0.0036630 k( 107) = ( 0.0000000 0.0000000 0.5524416), wk = 0.0036630 k( 108) = ( 0.0000000 0.0000000 0.5745393), wk = 0.0036630 k( 109) = ( 0.0000000 0.0000000 0.5966369), wk = 0.0036630 k( 110) = ( 0.0000000 0.0000000 0.6187346), wk = 0.0036630 k( 111) = ( 0.0000000 0.0000000 0.6408323), wk = 0.0036630 k( 112) = ( 0.0000000 0.0000000 0.6629299), wk = 0.0036630 k( 113) = ( 0.0000000 0.0000000 0.6850276), wk = 0.0036630 k( 114) = ( 0.0000000 0.0000000 0.7071253), wk = 0.0036630 k( 115) = ( 0.0000000 0.0000000 0.7292229), wk = 0.0036630 k( 116) = ( 0.0000000 0.0000000 0.7513206), wk = 0.0036630 k( 117) = ( 0.0000000 0.0000000 0.7734183), wk = 0.0036630 k( 118) = ( 0.0000000 0.0000000 0.7955159), wk = 0.0036630 k( 119) = ( 0.0000000 0.0000000 0.7955159), wk = 0.0036630 k( 120) = ( 0.0000000 0.0217391 0.7955159), wk = 0.0036630 k( 121) = ( 0.0000000 0.0434783 0.7955159), wk = 0.0036630 k( 122) = ( 0.0000000 0.0652174 0.7955159), wk = 0.0036630 k( 123) = ( 0.0000000 0.0869565 0.7955159), wk = 0.0036630 k( 124) = ( 0.0000000 0.1086957 0.7955159), wk = 0.0036630 k( 125) = ( 0.0000000 0.1304348 0.7955159), wk = 0.0036630 k( 126) = ( 0.0000000 0.1521739 0.7955159), wk = 0.0036630 k( 127) = ( 0.0000000 0.1739130 0.7955159), wk = 0.0036630 k( 128) = ( 0.0000000 0.1956522 0.7955159), wk = 0.0036630 k( 129) = ( 0.0000000 0.2173913 0.7955159), wk = 0.0036630 k( 130) = ( 0.0000000 0.2391304 0.7955159), wk = 0.0036630 k( 131) = ( 0.0000000 0.2608696 0.7955159), wk = 0.0036630 k( 132) = ( 0.0000000 0.2826087 0.7955159), wk = 0.0036630 k( 133) = ( 0.0000000 0.3043478 0.7955159), wk = 0.0036630 k( 134) = ( 0.0000000 0.3260870 0.7955159), wk = 0.0036630 k( 135) = ( 0.0000000 0.3478261 0.7955159), wk = 0.0036630 k( 136) = ( 0.0000000 0.3695652 0.7955159), wk = 0.0036630 k( 137) = ( 0.0000000 0.3913044 0.7955159), wk = 0.0036630 k( 138) = ( 0.0000000 0.4130435 0.7955159), wk = 0.0036630 k( 139) = ( 0.0000000 0.4347826 0.7955159), wk = 0.0036630 k( 140) = ( 0.0000000 0.4565217 0.7955159), wk = 0.0036630 k( 141) = ( 0.0000000 0.4782609 0.7955159), wk = 0.0036630 k( 142) = ( 0.0000000 0.5000000 0.7955159), wk = 0.0036630 k( 143) = ( 0.0000000 0.5000000 0.7955159), wk = 0.0036630 k( 144) = ( 0.0217391 0.5000000 0.7955159), wk = 0.0036630 k( 145) = ( 0.0434783 0.5000000 0.7955159), wk = 0.0036630 k( 146) = ( 0.0652174 0.5000000 0.7955159), wk = 0.0036630 k( 147) = ( 0.0869565 0.5000000 0.7955159), wk = 0.0036630 k( 148) = ( 0.1086957 0.5000000 0.7955159), wk = 0.0036630 k( 149) = ( 0.1304348 0.5000000 0.7955159), wk = 0.0036630 k( 150) = ( 0.1521739 0.5000000 0.7955159), wk = 0.0036630 k( 151) = ( 0.1739130 0.5000000 0.7955159), wk = 0.0036630 k( 152) = ( 0.1956522 0.5000000 0.7955159), wk = 0.0036630 k( 153) = ( 0.2173913 0.5000000 0.7955159), wk = 0.0036630 k( 154) = ( 0.2391304 0.5000000 0.7955159), wk = 0.0036630 k( 155) = ( 0.2608696 0.5000000 0.7955159), wk = 0.0036630 k( 156) = ( 0.2826087 0.5000000 0.7955159), wk = 0.0036630 k( 157) = ( 0.3043478 0.5000000 0.7955159), wk = 0.0036630 k( 158) = ( 0.3260870 0.5000000 0.7955159), wk = 0.0036630 k( 159) = ( 0.3478261 0.5000000 0.7955159), wk = 0.0036630 k( 160) = ( 0.3695652 0.5000000 0.7955159), wk = 0.0036630 k( 161) = ( 0.3913044 0.5000000 0.7955159), wk = 0.0036630 k( 162) = ( 0.4130435 0.5000000 0.7955159), wk = 0.0036630 k( 163) = ( 0.4347826 0.5000000 0.7955159), wk = 0.0036630 k( 164) = ( 0.4565217 0.5000000 0.7955159), wk = 0.0036630 k( 165) = ( 0.4782609 0.5000000 0.7955159), wk = 0.0036630 k( 166) = ( 0.5000000 0.5000000 0.7955159), wk = 0.0036630 k( 167) = ( 0.5000000 0.5000000 0.7955159), wk = 0.0036630 k( 168) = ( 0.4843750 0.4843750 0.7955159), wk = 0.0036630 k( 169) = ( 0.4687500 0.4687500 0.7955159), wk = 0.0036630 k( 170) = ( 0.4531250 0.4531250 0.7955159), wk = 0.0036630 k( 171) = ( 0.4375000 0.4375000 0.7955159), wk = 0.0036630 k( 172) = ( 0.4218750 0.4218750 0.7955159), wk = 0.0036630 k( 173) = ( 0.4062500 0.4062500 0.7955159), wk = 0.0036630 k( 174) = ( 0.3906250 0.3906250 0.7955159), wk = 0.0036630 k( 175) = ( 0.3750000 0.3750000 0.7955159), wk = 0.0036630 k( 176) = ( 0.3593750 0.3593750 0.7955159), wk = 0.0036630 k( 177) = ( 0.3437500 0.3437500 0.7955159), wk = 0.0036630 k( 178) = ( 0.3281250 0.3281250 0.7955159), wk = 0.0036630 k( 179) = ( 0.3125000 0.3125000 0.7955159), wk = 0.0036630 k( 180) = ( 0.2968750 0.2968750 0.7955159), wk = 0.0036630 k( 181) = ( 0.2812500 0.2812500 0.7955159), wk = 0.0036630 k( 182) = ( 0.2656250 0.2656250 0.7955159), wk = 0.0036630 k( 183) = ( 0.2500000 0.2500000 0.7955159), wk = 0.0036630 k( 184) = ( 0.2343750 0.2343750 0.7955159), wk = 0.0036630 k( 185) = ( 0.2187500 0.2187500 0.7955159), wk = 0.0036630 k( 186) = ( 0.2031250 0.2031250 0.7955159), wk = 0.0036630 k( 187) = ( 0.1875000 0.1875000 0.7955159), wk = 0.0036630 k( 188) = ( 0.1718750 0.1718750 0.7955159), wk = 0.0036630 k( 189) = ( 0.1562500 0.1562500 0.7955159), wk = 0.0036630 k( 190) = ( 0.1406250 0.1406250 0.7955159), wk = 0.0036630 k( 191) = ( 0.1250000 0.1250000 0.7955159), wk = 0.0036630 k( 192) = ( 0.1093750 0.1093750 0.7955159), wk = 0.0036630 k( 193) = ( 0.0937500 0.0937500 0.7955159), wk = 0.0036630 k( 194) = ( 0.0781250 0.0781250 0.7955159), wk = 0.0036630 k( 195) = ( 0.0625000 0.0625000 0.7955159), wk = 0.0036630 k( 196) = ( 0.0468750 0.0468750 0.7955159), wk = 0.0036630 k( 197) = ( 0.0312500 0.0312500 0.7955159), wk = 0.0036630 k( 198) = ( 0.0156250 0.0156250 0.7955159), wk = 0.0036630 k( 199) = ( 0.0000000 0.0000000 0.7955159), wk = 0.0036630 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036630 k( 201) = ( 0.0000000 0.5000000 0.0220977), wk = 0.0036630 k( 202) = ( 0.0000000 0.5000000 0.0441953), wk = 0.0036630 k( 203) = ( 0.0000000 0.5000000 0.0662930), wk = 0.0036630 k( 204) = ( 0.0000000 0.5000000 0.0883907), wk = 0.0036630 k( 205) = ( 0.0000000 0.5000000 0.1104883), wk = 0.0036630 k( 206) = ( 0.0000000 0.5000000 0.1325860), wk = 0.0036630 k( 207) = ( 0.0000000 0.5000000 0.1546836), wk = 0.0036630 k( 208) = ( 0.0000000 0.5000000 0.1767813), wk = 0.0036630 k( 209) = ( 0.0000000 0.5000000 0.1988790), wk = 0.0036630 k( 210) = ( 0.0000000 0.5000000 0.2209766), wk = 0.0036630 k( 211) = ( 0.0000000 0.5000000 0.2430743), wk = 0.0036630 k( 212) = ( 0.0000000 0.5000000 0.2651720), wk = 0.0036630 k( 213) = ( 0.0000000 0.5000000 0.2872696), wk = 0.0036630 k( 214) = ( 0.0000000 0.5000000 0.3093673), wk = 0.0036630 k( 215) = ( 0.0000000 0.5000000 0.3314650), wk = 0.0036630 k( 216) = ( 0.0000000 0.5000000 0.3535626), wk = 0.0036630 k( 217) = ( 0.0000000 0.5000000 0.3756603), wk = 0.0036630 k( 218) = ( 0.0000000 0.5000000 0.3977580), wk = 0.0036630 k( 219) = ( 0.0000000 0.5000000 0.4198556), wk = 0.0036630 k( 220) = ( 0.0000000 0.5000000 0.4419533), wk = 0.0036630 k( 221) = ( 0.0000000 0.5000000 0.4640510), wk = 0.0036630 k( 222) = ( 0.0000000 0.5000000 0.4861486), wk = 0.0036630 k( 223) = ( 0.0000000 0.5000000 0.5082463), wk = 0.0036630 k( 224) = ( 0.0000000 0.5000000 0.5303439), wk = 0.0036630 k( 225) = ( 0.0000000 0.5000000 0.5524416), wk = 0.0036630 k( 226) = ( 0.0000000 0.5000000 0.5745393), wk = 0.0036630 k( 227) = ( 0.0000000 0.5000000 0.5966369), wk = 0.0036630 k( 228) = ( 0.0000000 0.5000000 0.6187346), wk = 0.0036630 k( 229) = ( 0.0000000 0.5000000 0.6408323), wk = 0.0036630 k( 230) = ( 0.0000000 0.5000000 0.6629299), wk = 0.0036630 k( 231) = ( 0.0000000 0.5000000 0.6850276), wk = 0.0036630 k( 232) = ( 0.0000000 0.5000000 0.7071253), wk = 0.0036630 k( 233) = ( 0.0000000 0.5000000 0.7292229), wk = 0.0036630 k( 234) = ( 0.0000000 0.5000000 0.7513206), wk = 0.0036630 k( 235) = ( 0.0000000 0.5000000 0.7734183), wk = 0.0036630 k( 236) = ( 0.0000000 0.5000000 0.7955159), wk = 0.0036630 k( 237) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036630 k( 238) = ( 0.5000000 0.5000000 0.0220977), wk = 0.0036630 k( 239) = ( 0.5000000 0.5000000 0.0441953), wk = 0.0036630 k( 240) = ( 0.5000000 0.5000000 0.0662930), wk = 0.0036630 k( 241) = ( 0.5000000 0.5000000 0.0883907), wk = 0.0036630 k( 242) = ( 0.5000000 0.5000000 0.1104883), wk = 0.0036630 k( 243) = ( 0.5000000 0.5000000 0.1325860), wk = 0.0036630 k( 244) = ( 0.5000000 0.5000000 0.1546836), wk = 0.0036630 k( 245) = ( 0.5000000 0.5000000 0.1767813), wk = 0.0036630 k( 246) = ( 0.5000000 0.5000000 0.1988790), wk = 0.0036630 k( 247) = ( 0.5000000 0.5000000 0.2209766), wk = 0.0036630 k( 248) = ( 0.5000000 0.5000000 0.2430743), wk = 0.0036630 k( 249) = ( 0.5000000 0.5000000 0.2651720), wk = 0.0036630 k( 250) = ( 0.5000000 0.5000000 0.2872696), wk = 0.0036630 k( 251) = ( 0.5000000 0.5000000 0.3093673), wk = 0.0036630 k( 252) = ( 0.5000000 0.5000000 0.3314650), wk = 0.0036630 k( 253) = ( 0.5000000 0.5000000 0.3535626), wk = 0.0036630 k( 254) = ( 0.5000000 0.5000000 0.3756603), wk = 0.0036630 k( 255) = ( 0.5000000 0.5000000 0.3977580), wk = 0.0036630 k( 256) = ( 0.5000000 0.5000000 0.4198556), wk = 0.0036630 k( 257) = ( 0.5000000 0.5000000 0.4419533), wk = 0.0036630 k( 258) = ( 0.5000000 0.5000000 0.4640510), wk = 0.0036630 k( 259) = ( 0.5000000 0.5000000 0.4861486), wk = 0.0036630 k( 260) = ( 0.5000000 0.5000000 0.5082463), wk = 0.0036630 k( 261) = ( 0.5000000 0.5000000 0.5303439), wk = 0.0036630 k( 262) = ( 0.5000000 0.5000000 0.5524416), wk = 0.0036630 k( 263) = ( 0.5000000 0.5000000 0.5745393), wk = 0.0036630 k( 264) = ( 0.5000000 0.5000000 0.5966369), wk = 0.0036630 k( 265) = ( 0.5000000 0.5000000 0.6187346), wk = 0.0036630 k( 266) = ( 0.5000000 0.5000000 0.6408323), wk = 0.0036630 k( 267) = ( 0.5000000 0.5000000 0.6629299), wk = 0.0036630 k( 268) = ( 0.5000000 0.5000000 0.6850276), wk = 0.0036630 k( 269) = ( 0.5000000 0.5000000 0.7071253), wk = 0.0036630 k( 270) = ( 0.5000000 0.5000000 0.7292229), wk = 0.0036630 k( 271) = ( 0.5000000 0.5000000 0.7513206), wk = 0.0036630 k( 272) = ( 0.5000000 0.5000000 0.7734183), wk = 0.0036630 k( 273) = ( 0.5000000 0.5000000 0.7955159), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0217391 0.0000000), wk = 0.0036630 k( 3) = ( 0.0000000 0.0434783 0.0000000), wk = 0.0036630 k( 4) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0036630 k( 5) = ( 0.0000000 0.0869565 0.0000000), wk = 0.0036630 k( 6) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0036630 k( 7) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0036630 k( 8) = ( 0.0000000 0.1521739 0.0000000), wk = 0.0036630 k( 9) = ( 0.0000000 0.1739130 0.0000000), wk = 0.0036630 k( 10) = ( 0.0000000 0.1956522 0.0000000), wk = 0.0036630 k( 11) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0036630 k( 12) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0036630 k( 13) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0036630 k( 14) = ( 0.0000000 0.2826087 0.0000000), wk = 0.0036630 k( 15) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0036630 k( 16) = ( 0.0000000 0.3260870 0.0000000), wk = 0.0036630 k( 17) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0036630 k( 18) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0036630 k( 19) = ( 0.0000000 0.3913044 0.0000000), wk = 0.0036630 k( 20) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0036630 k( 21) = ( 0.0000000 0.4347826 0.0000000), wk = 0.0036630 k( 22) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0036630 k( 23) = ( 0.0000000 0.4782609 0.0000000), wk = 0.0036630 k( 24) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 25) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 26) = ( 0.0217391 0.5000000 0.0000000), wk = 0.0036630 k( 27) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0036630 k( 28) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0036630 k( 29) = ( 0.0869565 0.5000000 0.0000000), wk = 0.0036630 k( 30) = ( 0.1086957 0.5000000 0.0000000), wk = 0.0036630 k( 31) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0036630 k( 32) = ( 0.1521739 0.5000000 0.0000000), wk = 0.0036630 k( 33) = ( 0.1739130 0.5000000 0.0000000), wk = 0.0036630 k( 34) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0036630 k( 35) = ( 0.2173913 0.5000000 0.0000000), wk = 0.0036630 k( 36) = ( 0.2391304 0.5000000 0.0000000), wk = 0.0036630 k( 37) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0036630 k( 38) = ( 0.2826087 0.5000000 0.0000000), wk = 0.0036630 k( 39) = ( 0.3043478 0.5000000 0.0000000), wk = 0.0036630 k( 40) = ( 0.3260870 0.5000000 0.0000000), wk = 0.0036630 k( 41) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0036630 k( 42) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0036630 k( 43) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0036630 k( 44) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0036630 k( 45) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0036630 k( 46) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0036630 k( 47) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0036630 k( 48) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036630 k( 49) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036630 k( 50) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0036630 k( 51) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0036630 k( 52) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0036630 k( 53) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0036630 k( 54) = ( 0.4218750 0.4218750 0.0000000), wk = 0.0036630 k( 55) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0036630 k( 56) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0036630 k( 57) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0036630 k( 58) = ( 0.3593750 0.3593750 0.0000000), wk = 0.0036630 k( 59) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0036630 k( 60) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0036630 k( 61) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0036630 k( 62) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0036630 k( 63) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0036630 k( 64) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0036630 k( 65) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036630 k( 66) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0036630 k( 67) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0036630 k( 68) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0036630 k( 69) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0036630 k( 70) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0036630 k( 71) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0036630 k( 72) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0036630 k( 73) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0036630 k( 74) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0036630 k( 75) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0036630 k( 76) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0036630 k( 77) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0036630 k( 78) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0036630 k( 79) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0036630 k( 80) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0036630 k( 81) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 83) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0036630 k( 84) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0036630 k( 85) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0036630 k( 86) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0036630 k( 87) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0036630 k( 88) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0036630 k( 89) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0036630 k( 90) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0036630 k( 91) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036630 k( 92) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0036630 k( 93) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0036630 k( 94) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036630 k( 95) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0036630 k( 96) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0036630 k( 97) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0036630 k( 98) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0036630 k( 99) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0036630 k( 100) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036630 k( 101) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0036630 k( 102) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0036630 k( 103) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0036630 k( 104) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0036630 k( 105) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0036630 k( 106) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036630 k( 107) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0036630 k( 108) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0036630 k( 109) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036630 k( 110) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0036630 k( 111) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0036630 k( 112) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0036630 k( 113) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0036630 k( 114) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0036630 k( 115) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0036630 k( 116) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0036630 k( 117) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0036630 k( 118) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 119) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 120) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0036630 k( 121) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0036630 k( 122) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0036630 k( 123) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0036630 k( 124) = ( 0.0000000 0.1086957 0.5000000), wk = 0.0036630 k( 125) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0036630 k( 126) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0036630 k( 127) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0036630 k( 128) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0036630 k( 129) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0036630 k( 130) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0036630 k( 131) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0036630 k( 132) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0036630 k( 133) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0036630 k( 134) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0036630 k( 135) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0036630 k( 136) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0036630 k( 137) = ( 0.0000000 0.3913044 0.5000000), wk = 0.0036630 k( 138) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0036630 k( 139) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0036630 k( 140) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0036630 k( 141) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0036630 k( 142) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036630 k( 143) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036630 k( 144) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0036630 k( 145) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0036630 k( 146) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0036630 k( 147) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0036630 k( 148) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0036630 k( 149) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0036630 k( 150) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0036630 k( 151) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0036630 k( 152) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0036630 k( 153) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0036630 k( 154) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0036630 k( 155) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0036630 k( 156) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0036630 k( 157) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0036630 k( 158) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0036630 k( 159) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0036630 k( 160) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0036630 k( 161) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0036630 k( 162) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0036630 k( 163) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0036630 k( 164) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0036630 k( 165) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0036630 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036630 k( 167) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036630 k( 168) = ( 0.4843750 0.4843750 0.5000000), wk = 0.0036630 k( 169) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0036630 k( 170) = ( 0.4531250 0.4531250 0.5000000), wk = 0.0036630 k( 171) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0036630 k( 172) = ( 0.4218750 0.4218750 0.5000000), wk = 0.0036630 k( 173) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0036630 k( 174) = ( 0.3906250 0.3906250 0.5000000), wk = 0.0036630 k( 175) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0036630 k( 176) = ( 0.3593750 0.3593750 0.5000000), wk = 0.0036630 k( 177) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0036630 k( 178) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0036630 k( 179) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0036630 k( 180) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0036630 k( 181) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0036630 k( 182) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0036630 k( 183) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0036630 k( 184) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0036630 k( 185) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0036630 k( 186) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0036630 k( 187) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0036630 k( 188) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0036630 k( 189) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0036630 k( 190) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0036630 k( 191) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0036630 k( 192) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0036630 k( 193) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0036630 k( 194) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0036630 k( 195) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0036630 k( 196) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0036630 k( 197) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0036630 k( 198) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0036630 k( 199) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 201) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0036630 k( 202) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0036630 k( 203) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0036630 k( 204) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0036630 k( 205) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0036630 k( 206) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0036630 k( 207) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0036630 k( 208) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0036630 k( 209) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0036630 k( 210) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0036630 k( 211) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0036630 k( 212) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0036630 k( 213) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0036630 k( 214) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0036630 k( 215) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0036630 k( 216) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0036630 k( 217) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0036630 k( 218) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0036630 k( 219) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0036630 k( 220) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0036630 k( 221) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0036630 k( 222) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0036630 k( 223) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0036630 k( 224) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0036630 k( 225) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0036630 k( 226) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0036630 k( 227) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0036630 k( 228) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0036630 k( 229) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0036630 k( 230) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0036630 k( 231) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0036630 k( 232) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0036630 k( 233) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0036630 k( 234) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0036630 k( 235) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0036630 k( 236) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036630 k( 237) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036630 k( 238) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036630 k( 239) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036630 k( 240) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036630 k( 241) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036630 k( 242) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036630 k( 243) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036630 k( 244) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036630 k( 245) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036630 k( 246) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036630 k( 247) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036630 k( 248) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036630 k( 249) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036630 k( 250) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036630 k( 251) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036630 k( 252) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036630 k( 253) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036630 k( 254) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036630 k( 255) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036630 k( 256) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036630 k( 257) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036630 k( 258) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036630 k( 259) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036630 k( 260) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036630 k( 261) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036630 k( 262) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036630 k( 263) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036630 k( 264) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036630 k( 265) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036630 k( 266) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036630 k( 267) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036630 k( 268) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036630 k( 269) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036630 k( 270) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036630 k( 271) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036630 k( 272) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036630 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036630 Dense grid: 141019 G-vectors FFT dimensions: ( 75, 75, 48) Smooth grid: 60139 G-vectors FFT dimensions: ( 60, 60, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 422, 58) NL pseudopotentials 0.50 Mb ( 211, 156) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.03 Mb ( 3918) G-vector shells 0.01 Mb ( 1883) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.49 Mb ( 422, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.28 Mb ( 156, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaxBH4x2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 11.3 secs Computing kpt #: 8 total cpu time spent up to now is 12.6 secs Computing kpt #: 9 total cpu time spent up to now is 13.9 secs Computing kpt #: 10 total cpu time spent up to now is 15.1 secs Computing kpt #: 11 total cpu time spent up to now is 16.5 secs Computing kpt #: 12 total cpu time spent up to now is 17.9 secs Computing kpt #: 13 total cpu time spent up to now is 19.3 secs Computing kpt #: 14 total cpu time spent up to now is 20.7 secs Computing kpt #: 15 total cpu time spent up to now is 22.2 secs Computing kpt #: 16 total cpu time spent up to now is 23.6 secs Computing kpt #: 17 total cpu time spent up to now is 24.9 secs Computing kpt #: 18 total cpu time spent up to now is 26.3 secs Computing kpt #: 19 total cpu time spent up to now is 27.7 secs Computing kpt #: 20 total cpu time spent up to now is 29.2 secs Computing kpt #: 21 total cpu time spent up to now is 30.9 secs Computing kpt #: 22 total cpu time spent up to now is 32.7 secs Computing kpt #: 23 total cpu time spent up to now is 34.3 secs Computing kpt #: 24 total cpu time spent up to now is 35.6 secs Computing kpt #: 25 total cpu time spent up to now is 37.3 secs Computing kpt #: 26 total cpu time spent up to now is 39.0 secs Computing kpt #: 27 total cpu time spent up to now is 40.7 secs Computing kpt #: 28 total cpu time spent up to now is 42.4 secs Computing kpt #: 29 total cpu time spent up to now is 44.0 secs Computing kpt #: 30 total cpu time spent up to now is 45.7 secs Computing kpt #: 31 total cpu time spent up to now is 47.4 secs Computing kpt #: 32 total cpu time spent up to now is 49.2 secs Computing kpt #: 33 total cpu time spent up to now is 51.0 secs Computing kpt #: 34 total cpu time spent up to now is 52.7 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.2 secs Computing kpt #: 36 total cpu time spent up to now is 56.9 secs Computing kpt #: 37 total cpu time spent up to now is 58.8 secs Computing kpt #: 38 total cpu time spent up to now is 60.7 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.0 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.4 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.8 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.2 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.7 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.1 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.6 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.0 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.4 secs Computing kpt #: 48 total cpu time spent up to now is 84.4 secs Computing kpt #: 49 total cpu time spent up to now is 86.4 secs Computing kpt #: 50 total cpu time spent up to now is 88.4 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.8 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.3 secs Computing kpt #: 53 total cpu time spent up to now is 95.8 secs Computing kpt #: 54 total cpu time spent up to now is 97.6 secs Computing kpt #: 55 total cpu time spent up to now is 99.3 secs Computing kpt #: 56 total cpu time spent up to now is 100.8 secs Computing kpt #: 57 total cpu time spent up to now is 102.3 secs Computing kpt #: 58 total cpu time spent up to now is 103.8 secs Computing kpt #: 59 total cpu time spent up to now is 105.2 secs Computing kpt #: 60 total cpu time spent up to now is 106.5 secs Computing kpt #: 61 total cpu time spent up to now is 107.9 secs Computing kpt #: 62 total cpu time spent up to now is 109.3 secs Computing kpt #: 63 total cpu time spent up to now is 110.7 secs Computing kpt #: 64 total cpu time spent up to now is 112.0 secs Computing kpt #: 65 total cpu time spent up to now is 113.3 secs Computing kpt #: 66 total cpu time spent up to now is 114.7 secs Computing kpt #: 67 total cpu time spent up to now is 116.1 secs Computing kpt #: 68 total cpu time spent up to now is 117.5 secs Computing kpt #: 69 total cpu time spent up to now is 118.8 secs Computing kpt #: 70 total cpu time spent up to now is 120.2 secs Computing kpt #: 71 total cpu time spent up to now is 121.5 secs Computing kpt #: 72 total cpu time spent up to now is 122.8 secs Computing kpt #: 73 total cpu time spent up to now is 124.1 secs Computing kpt #: 74 total cpu time spent up to now is 125.3 secs Computing kpt #: 75 total cpu time spent up to now is 126.7 secs Computing kpt #: 76 total cpu time spent up to now is 127.9 secs Computing kpt #: 77 total cpu time spent up to now is 129.2 secs Computing kpt #: 78 total cpu time spent up to now is 130.4 secs Computing kpt #: 79 total cpu time spent up to now is 131.7 secs Computing kpt #: 80 total cpu time spent up to now is 132.9 secs Computing kpt #: 81 total cpu time spent up to now is 134.2 secs Computing kpt #: 82 total cpu time spent up to now is 135.4 secs Computing kpt #: 83 total cpu time spent up to now is 136.6 secs Computing kpt #: 84 total cpu time spent up to now is 137.8 secs Computing kpt #: 85 total cpu time spent up to now is 138.9 secs Computing kpt #: 86 total cpu time spent up to now is 140.1 secs Computing kpt #: 87 total cpu time spent up to now is 141.3 secs Computing kpt #: 88 total cpu time spent up to now is 142.5 secs Computing kpt #: 89 total cpu time spent up to now is 143.7 secs Computing kpt #: 90 total cpu time spent up to now is 144.9 secs Computing kpt #: 91 total cpu time spent up to now is 146.1 secs Computing kpt #: 92 total cpu time spent up to now is 147.3 secs Computing kpt #: 93 total cpu time spent up to now is 148.5 secs Computing kpt #: 94 total cpu time spent up to now is 149.7 secs Computing kpt #: 95 total cpu time spent up to now is 150.9 secs Computing kpt #: 96 total cpu time spent up to now is 152.1 secs Computing kpt #: 97 total cpu time spent up to now is 153.2 secs Computing kpt #: 98 total cpu time spent up to now is 154.4 secs Computing kpt #: 99 total cpu time spent up to now is 155.6 secs Computing kpt #: 100 total cpu time spent up to now is 156.8 secs Computing kpt #: 101 total cpu time spent up to now is 157.9 secs Computing kpt #: 102 total cpu time spent up to now is 159.1 secs Computing kpt #: 103 total cpu time spent up to now is 160.2 secs Computing kpt #: 104 total cpu time spent up to now is 161.4 secs Computing kpt #: 105 total cpu time spent up to now is 162.7 secs Computing kpt #: 106 total cpu time spent up to now is 163.9 secs Computing kpt #: 107 total cpu time spent up to now is 165.2 secs Computing kpt #: 108 total cpu time spent up to now is 166.6 secs Computing kpt #: 109 total cpu time spent up to now is 168.2 secs Computing kpt #: 110 total cpu time spent up to now is 169.5 secs Computing kpt #: 111 total cpu time spent up to now is 170.8 secs Computing kpt #: 112 total cpu time spent up to now is 172.1 secs Computing kpt #: 113 total cpu time spent up to now is 173.3 secs Computing kpt #: 114 total cpu time spent up to now is 174.8 secs Computing kpt #: 115 total cpu time spent up to now is 176.1 secs Computing kpt #: 116 total cpu time spent up to now is 177.5 secs Computing kpt #: 117 total cpu time spent up to now is 178.9 secs Computing kpt #: 118 total cpu time spent up to now is 180.2 secs Computing kpt #: 119 total cpu time spent up to now is 181.6 secs Computing kpt #: 120 total cpu time spent up to now is 182.8 secs Computing kpt #: 121 total cpu time spent up to now is 184.1 secs Computing kpt #: 122 total cpu time spent up to now is 185.7 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.4 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.8 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.2 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.7 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.1 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.6 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 205.0 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.4 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.9 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.2 secs Computing kpt #: 134 total cpu time spent up to now is 213.6 secs Computing kpt #: 135 total cpu time spent up to now is 214.8 secs Computing kpt #: 136 total cpu time spent up to now is 216.4 secs Computing kpt #: 137 total cpu time spent up to now is 217.8 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.6 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.0 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 227.4 secs Computing kpt #: 142 total cpu time spent up to now is 228.8 secs Computing kpt #: 143 total cpu time spent up to now is 230.3 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.6 secs Computing kpt #: 145 total cpu time spent up to now is 234.7 secs Computing kpt #: 146 total cpu time spent up to now is 236.4 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.6 secs Computing kpt #: 148 total cpu time spent up to now is 239.7 secs Computing kpt #: 149 total cpu time spent up to now is 242.0 secs Computing kpt #: 150 total cpu time spent up to now is 243.8 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.1 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.5 secs Computing kpt #: 153 total cpu time spent up to now is 250.6 secs Computing kpt #: 154 total cpu time spent up to now is 252.0 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.4 secs Computing kpt #: 156 total cpu time spent up to now is 256.1 secs Computing kpt #: 157 total cpu time spent up to now is 257.6 secs Computing kpt #: 158 total cpu time spent up to now is 259.3 secs Computing kpt #: 159 total cpu time spent up to now is 261.0 secs Computing kpt #: 160 total cpu time spent up to now is 262.6 secs Computing kpt #: 161 total cpu time spent up to now is 264.2 secs Computing kpt #: 162 total cpu time spent up to now is 265.8 secs Computing kpt #: 163 total cpu time spent up to now is 267.2 secs Computing kpt #: 164 total cpu time spent up to now is 268.6 secs Computing kpt #: 165 total cpu time spent up to now is 269.9 secs Computing kpt #: 166 total cpu time spent up to now is 271.2 secs Computing kpt #: 167 total cpu time spent up to now is 272.5 secs Computing kpt #: 168 total cpu time spent up to now is 273.8 secs Computing kpt #: 169 total cpu time spent up to now is 275.3 secs Computing kpt #: 170 total cpu time spent up to now is 276.7 secs Computing kpt #: 171 total cpu time spent up to now is 278.3 secs Computing kpt #: 172 total cpu time spent up to now is 279.7 secs Computing kpt #: 173 total cpu time spent up to now is 281.3 secs Computing kpt #: 174 total cpu time spent up to now is 282.9 secs Computing kpt #: 175 total cpu time spent up to now is 284.6 secs Computing kpt #: 176 total cpu time spent up to now is 286.1 secs Computing kpt #: 177 total cpu time spent up to now is 287.6 secs Computing kpt #: 178 total cpu time spent up to now is 289.3 secs Computing kpt #: 179 total cpu time spent up to now is 291.0 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.4 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.9 secs Computing kpt #: 182 total cpu time spent up to now is 297.6 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.2 secs Computing kpt #: 184 total cpu time spent up to now is 302.2 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.6 secs Computing kpt #: 186 total cpu time spent up to now is 306.3 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.7 secs Computing kpt #: 188 total cpu time spent up to now is 310.6 secs Computing kpt #: 189 total cpu time spent up to now is 312.9 secs Computing kpt #: 190 total cpu time spent up to now is 314.4 secs Computing kpt #: 191 total cpu time spent up to now is 316.0 secs Computing kpt #: 192 total cpu time spent up to now is 317.5 secs Computing kpt #: 193 total cpu time spent up to now is 319.0 secs Computing kpt #: 194 total cpu time spent up to now is 320.5 secs Computing kpt #: 195 total cpu time spent up to now is 321.8 secs Computing kpt #: 196 total cpu time spent up to now is 323.2 secs Computing kpt #: 197 total cpu time spent up to now is 324.5 secs Computing kpt #: 198 total cpu time spent up to now is 325.7 secs Computing kpt #: 199 total cpu time spent up to now is 327.0 secs Computing kpt #: 200 total cpu time spent up to now is 328.9 secs Computing kpt #: 201 total cpu time spent up to now is 330.8 secs Computing kpt #: 202 total cpu time spent up to now is 332.5 secs Computing kpt #: 203 total cpu time spent up to now is 334.3 secs Computing kpt #: 204 total cpu time spent up to now is 336.2 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.7 secs Computing kpt #: 206 total cpu time spent up to now is 340.5 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.9 secs Computing kpt #: 208 total cpu time spent up to now is 344.9 secs Computing kpt #: 209 total cpu time spent up to now is 346.7 secs Computing kpt #: 210 total cpu time spent up to now is 348.4 secs Computing kpt #: 211 total cpu time spent up to now is 350.2 secs Computing kpt #: 212 total cpu time spent up to now is 352.0 secs Computing kpt #: 213 total cpu time spent up to now is 353.8 secs Computing kpt #: 214 total cpu time spent up to now is 355.6 secs Computing kpt #: 215 total cpu time spent up to now is 357.6 secs Computing kpt #: 216 total cpu time spent up to now is 359.4 secs Computing kpt #: 217 total cpu time spent up to now is 361.3 secs Computing kpt #: 218 total cpu time spent up to now is 363.0 secs Computing kpt #: 219 total cpu time spent up to now is 365.0 secs Computing kpt #: 220 total cpu time spent up to now is 366.8 secs Computing kpt #: 221 total cpu time spent up to now is 368.7 secs Computing kpt #: 222 total cpu time spent up to now is 370.5 secs Computing kpt #: 223 total cpu time spent up to now is 372.3 secs Computing kpt #: 224 total cpu time spent up to now is 374.2 secs Computing kpt #: 225 total cpu time spent up to now is 376.1 secs Computing kpt #: 226 total cpu time spent up to now is 378.0 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.5 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.0 secs Computing kpt #: 229 total cpu time spent up to now is 384.1 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 386.4 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.9 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.2 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.7 secs Computing kpt #: 234 total cpu time spent up to now is 395.5 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 397.8 secs Computing kpt #: 236 total cpu time spent up to now is 399.3 secs Computing kpt #: 237 total cpu time spent up to now is 401.3 secs Computing kpt #: 238 total cpu time spent up to now is 402.9 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 405.3 secs Computing kpt #: 240 total cpu time spent up to now is 406.9 secs Computing kpt #: 241 total cpu time spent up to now is 408.6 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.1 secs Computing kpt #: 243 total cpu time spent up to now is 412.6 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 415.0 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.5 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.8 secs Computing kpt #: 247 total cpu time spent up to now is 422.0 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.4 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.7 secs Computing kpt #: 250 total cpu time spent up to now is 428.2 secs Computing kpt #: 251 total cpu time spent up to now is 430.0 secs Computing kpt #: 252 total cpu time spent up to now is 432.0 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.3 secs Computing kpt #: 254 total cpu time spent up to now is 436.3 secs Computing kpt #: 255 total cpu time spent up to now is 438.1 secs Computing kpt #: 256 total cpu time spent up to now is 440.0 secs Computing kpt #: 257 total cpu time spent up to now is 441.9 secs Computing kpt #: 258 total cpu time spent up to now is 443.3 secs Computing kpt #: 259 total cpu time spent up to now is 445.2 secs Computing kpt #: 260 total cpu time spent up to now is 447.0 secs Computing kpt #: 261 total cpu time spent up to now is 448.4 secs Computing kpt #: 262 total cpu time spent up to now is 449.8 secs Computing kpt #: 263 total cpu time spent up to now is 451.1 secs Computing kpt #: 264 total cpu time spent up to now is 452.3 secs Computing kpt #: 265 total cpu time spent up to now is 453.5 secs Computing kpt #: 266 total cpu time spent up to now is 454.8 secs Computing kpt #: 267 total cpu time spent up to now is 456.0 secs Computing kpt #: 268 total cpu time spent up to now is 457.4 secs Computing kpt #: 269 total cpu time spent up to now is 458.9 secs Computing kpt #: 270 total cpu time spent up to now is 460.3 secs Computing kpt #: 271 total cpu time spent up to now is 461.6 secs Computing kpt #: 272 total cpu time spent up to now is 463.1 secs Computing kpt #: 273 total cpu time spent up to now is 464.5 secs ethr = 2.08E-08, avg # of iterations = 66.2 total cpu time spent up to now is 464.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7489 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2754 -21.2754 -21.2703 -21.2703 -20.9100 -20.9100 -20.9070 -20.9070 -20.8731 -20.8731 -20.8722 -20.8722 -8.6437 -8.6437 -7.8248 -7.8248 -7.8204 -7.8204 -7.7113 -7.7113 -4.4787 -4.4787 -3.4548 -3.4548 -3.1399 -3.1399 -3.1361 -3.1361 -2.7229 -2.7229 -1.7950 -1.7950 -1.6364 -1.6364 -1.6362 -1.6362 -1.6287 -1.6287 -1.6263 -1.6263 -1.2779 -1.2779 -1.0555 -1.0555 4.1353 4.1353 4.3063 4.3063 4.7551 4.7551 4.9656 4.9656 4.9705 4.9705 k = 0.0000 0.0217-0.0000 ( 7485 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2754 -21.2754 -21.2703 -21.2703 -20.9100 -20.9100 -20.9070 -20.9070 -20.8731 -20.8731 -20.8722 -20.8722 -8.6429 -8.6429 -7.8257 -7.8257 -7.8210 -7.8210 -7.7109 -7.7109 -4.4772 -4.4772 -3.4565 -3.4565 -3.1396 -3.1396 -3.1355 -3.1355 -2.7218 -2.7218 -1.7953 -1.7953 -1.6364 -1.6364 -1.6354 -1.6354 -1.6297 -1.6297 -1.6268 -1.6268 -1.2783 -1.2783 -1.0562 -1.0562 4.1361 4.1361 4.3068 4.3068 4.7562 4.7562 4.9662 4.9662 4.9711 4.9711 k = 0.0000 0.0435-0.0000 ( 7471 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2753 -21.2753 -21.2703 -21.2703 -20.9099 -20.9099 -20.9070 -20.9070 -20.8730 -20.8730 -20.8722 -20.8722 -8.6407 -8.6407 -7.8297 -7.8297 -7.8215 -7.8215 -7.7099 -7.7099 -4.4730 -4.4730 -3.4613 -3.4613 -3.1397 -3.1397 -3.1326 -3.1326 -2.7184 -2.7184 -1.7961 -1.7961 -1.6366 -1.6366 -1.6337 -1.6337 -1.6329 -1.6329 -1.6270 -1.6270 -1.2797 -1.2797 -1.0580 -1.0580 4.1385 4.1385 4.3084 4.3084 4.7594 4.7594 4.9680 4.9680 4.9730 4.9730 k = 0.0000 0.0652-0.0000 ( 7469 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2753 -21.2753 -21.2704 -21.2704 -20.9099 -20.9099 -20.9070 -20.9070 -20.8730 -20.8730 -20.8722 -20.8722 -8.6371 -8.6371 -7.8373 -7.8373 -7.8212 -7.8212 -7.7085 -7.7085 -4.4660 -4.4660 -3.4690 -3.4690 -3.1408 -3.1408 -3.1271 -3.1271 -2.7128 -2.7128 -1.7975 -1.7975 -1.6411 -1.6411 -1.6370 -1.6370 -1.6287 -1.6287 -1.6268 -1.6268 -1.2820 -1.2820 -1.0611 -1.0611 4.1424 4.1424 4.3110 4.3110 4.7647 4.7647 4.9709 4.9709 4.9763 4.9763 k = 0.0000 0.0870-0.0000 ( 7481 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2753 -21.2753 -21.2704 -21.2704 -20.9099 -20.9099 -20.9071 -20.9071 -20.8731 -20.8731 -20.8722 -20.8722 -8.6320 -8.6320 -7.8478 -7.8478 -7.8206 -7.8206 -7.7069 -7.7069 -4.4562 -4.4562 -3.4795 -3.4795 -3.1427 -3.1427 -3.1196 -3.1196 -2.7049 -2.7049 -1.7993 -1.7993 -1.6515 -1.6515 -1.6376 -1.6376 -1.6263 -1.6263 -1.6231 -1.6231 -1.2853 -1.2853 -1.0654 -1.0654 4.1479 4.1479 4.3145 4.3145 4.7720 4.7720 4.9745 4.9745 4.9810 4.9810 k = 0.0000 0.1087-0.0000 ( 7475 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2752 -21.2752 -21.2704 -21.2704 -20.9099 -20.9099 -20.9071 -20.9071 -20.8731 -20.8731 -20.8722 -20.8722 -8.6255 -8.6255 -7.8607 -7.8607 -7.8197 -7.8197 -7.7053 -7.7053 -4.4439 -4.4439 -3.4923 -3.4923 -3.1451 -3.1451 -3.1106 -3.1106 -2.6949 -2.6949 -1.8013 -1.8013 -1.6647 -1.6647 -1.6384 -1.6384 -1.6257 -1.6257 -1.6160 -1.6160 -1.2894 -1.2894 -1.0709 -1.0709 4.1548 4.1548 4.3190 4.3190 4.7813 4.7813 4.9790 4.9790 4.9871 4.9871 k = 0.0000 0.1304-0.0000 ( 7479 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2752 -21.2752 -21.2705 -21.2705 -20.9098 -20.9098 -20.9071 -20.9071 -20.8731 -20.8731 -20.8722 -20.8722 -8.6176 -8.6176 -7.8758 -7.8758 -7.8186 -7.8186 -7.7039 -7.7039 -4.4290 -4.4290 -3.5072 -3.5072 -3.1479 -3.1479 -3.1004 -3.1004 -2.6828 -2.6828 -1.8036 -1.8036 -1.6807 -1.6807 -1.6392 -1.6392 -1.6248 -1.6248 -1.6077 -1.6077 -1.2944 -1.2944 -1.0775 -1.0775 4.1632 4.1632 4.3241 4.3241 4.7926 4.7926 4.9843 4.9843 4.9945 4.9945 k = 0.0000 0.1522-0.0000 ( 7483 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2751 -21.2751 -21.2706 -21.2706 -20.9098 -20.9098 -20.9071 -20.9071 -20.8731 -20.8731 -20.8723 -20.8723 -8.6083 -8.6083 -7.8928 -7.8928 -7.8173 -7.8173 -7.7028 -7.7028 -4.4118 -4.4118 -3.5239 -3.5239 -3.1512 -3.1512 -3.0894 -3.0894 -2.6685 -2.6685 -1.8060 -1.8060 -1.6994 -1.6994 -1.6402 -1.6402 -1.6237 -1.6237 -1.5983 -1.5983 -1.3002 -1.3002 -1.0852 -1.0852 4.1728 4.1728 4.3299 4.3299 4.8058 4.8058 4.9903 4.9903 5.0032 5.0032 k = 0.0000 0.1739-0.0000 ( 7481 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2750 -21.2750 -21.2707 -21.2707 -20.9097 -20.9097 -20.9072 -20.9072 -20.8731 -20.8731 -20.8723 -20.8723 -8.5976 -8.5976 -7.9115 -7.9115 -7.8158 -7.8158 -7.7020 -7.7020 -4.3924 -4.3924 -3.5421 -3.5421 -3.1547 -3.1547 -3.0779 -3.0779 -2.6523 -2.6523 -1.8084 -1.8084 -1.7205 -1.7205 -1.6413 -1.6413 -1.6223 -1.6223 -1.5879 -1.5879 -1.3067 -1.3067 -1.0940 -1.0940 4.1835 4.1835 4.3362 4.3362 4.8208 4.8208 4.9970 4.9970 5.0129 5.0129 k = 0.0000 0.1957-0.0000 ( 7494 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2749 -21.2749 -21.2708 -21.2708 -20.9097 -20.9097 -20.9072 -20.9072 -20.8731 -20.8731 -20.8723 -20.8723 -8.5856 -8.5856 -7.9318 -7.9318 -7.8142 -7.8142 -7.7016 -7.7016 -4.3709 -4.3709 -3.5617 -3.5617 -3.1585 -3.1585 -3.0662 -3.0662 -2.6341 -2.6341 -1.8108 -1.8108 -1.7440 -1.7440 -1.6425 -1.6425 -1.6206 -1.6206 -1.5766 -1.5766 -1.3140 -1.3140 -1.1037 -1.1037 4.1953 4.1953 4.3428 4.3428 4.8377 4.8377 5.0043 5.0043 5.0234 5.0234 k = 0.0000 0.2174-0.0000 ( 7490 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2748 -21.2748 -21.2709 -21.2709 -20.9096 -20.9096 -20.9073 -20.9073 -20.8731 -20.8731 -20.8724 -20.8724 -8.5723 -8.5723 -7.9533 -7.9533 -7.8124 -7.8124 -7.7015 -7.7015 -4.3476 -4.3476 -3.5825 -3.5825 -3.1624 -3.1624 -3.0544 -3.0544 -2.6140 -2.6140 -1.8130 -1.8130 -1.7696 -1.7696 -1.6437 -1.6437 -1.6186 -1.6186 -1.5645 -1.5645 -1.3218 -1.3218 -1.1143 -1.1143 4.2080 4.2080 4.3496 4.3496 4.8562 4.8562 5.0122 5.0122 5.0346 5.0346 k = 0.0000 0.2391-0.0000 ( 7500 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2747 -21.2747 -21.2710 -21.2710 -20.9095 -20.9095 -20.9073 -20.9073 -20.8731 -20.8731 -20.8724 -20.8724 -8.5577 -8.5577 -7.9761 -7.9761 -7.8105 -7.8105 -7.7017 -7.7017 -4.3227 -4.3227 -3.6044 -3.6044 -3.1665 -3.1665 -3.0427 -3.0427 -2.5921 -2.5921 -1.8152 -1.8152 -1.7973 -1.7973 -1.6451 -1.6451 -1.6163 -1.6163 -1.5518 -1.5518 -1.3302 -1.3302 -1.1258 -1.1258 4.2214 4.2214 4.3563 4.3563 4.8763 4.8763 5.0206 5.0206 5.0463 5.0463 k = 0.0000 0.2609-0.0000 ( 7504 PWs) bands (ev): -40.0461 -40.0461 -40.0460 -40.0460 -21.2746 -21.2746 -21.2711 -21.2711 -20.9094 -20.9094 -20.9074 -20.9074 -20.8731 -20.8731 -20.8725 -20.8725 -8.5418 -8.5418 -7.9999 -7.9999 -7.8085 -7.8085 -7.7022 -7.7022 -4.2963 -4.2963 -3.6273 -3.6273 -3.1705 -3.1705 -3.0314 -3.0314 -2.5684 -2.5684 -1.8269 -1.8269 -1.8171 -1.8171 -1.6464 -1.6464 -1.6136 -1.6136 -1.5384 -1.5384 -1.3390 -1.3390 -1.1380 -1.1380 4.2353 4.2353 4.3628 4.3628 4.8979 4.8979 5.0294 5.0294 5.0582 5.0582 k = 0.0000 0.2826-0.0000 ( 7508 PWs) bands (ev): -40.0461 -40.0461 -40.0460 -40.0460 -21.2745 -21.2745 -21.2713 -21.2713 -20.9094 -20.9094 -20.9075 -20.9075 -20.8731 -20.8731 -20.8725 -20.8725 -8.5248 -8.5248 -8.0246 -8.0246 -7.8065 -7.8065 -7.7030 -7.7030 -4.2686 -4.2686 -3.6511 -3.6511 -3.1744 -3.1744 -3.0206 -3.0206 -2.5431 -2.5431 -1.8580 -1.8580 -1.8189 -1.8189 -1.6477 -1.6477 -1.6106 -1.6106 -1.5246 -1.5246 -1.3480 -1.3480 -1.1508 -1.1508 4.2496 4.2496 4.3689 4.3689 4.9209 4.9209 5.0384 5.0384 5.0701 5.0701 k = 0.0000 0.3043-0.0000 ( 7498 PWs) bands (ev): -40.0461 -40.0461 -40.0460 -40.0460 -21.2744 -21.2744 -21.2714 -21.2714 -20.9093 -20.9093 -20.9075 -20.9075 -20.8730 -20.8730 -20.8725 -20.8725 -8.5067 -8.5067 -8.0500 -8.0500 -7.8044 -7.8044 -7.7040 -7.7040 -4.2399 -4.2399 -3.6757 -3.6757 -3.1782 -3.1782 -3.0103 -3.0103 -2.5162 -2.5162 -1.8907 -1.8907 -1.8206 -1.8206 -1.6490 -1.6490 -1.6073 -1.6073 -1.5105 -1.5105 -1.3573 -1.3573 -1.1640 -1.1640 4.2641 4.2641 4.3744 4.3744 4.9452 4.9452 5.0476 5.0476 5.0819 5.0819 k = 0.0000 0.3261-0.0000 ( 7506 PWs) bands (ev): -40.0461 -40.0461 -40.0460 -40.0460 -21.2742 -21.2742 -21.2716 -21.2716 -20.9092 -20.9092 -20.9076 -20.9076 -20.8730 -20.8730 -20.8726 -20.8726 -8.4875 -8.4875 -8.0759 -8.0759 -7.8024 -7.8024 -7.7052 -7.7052 -4.2105 -4.2105 -3.7011 -3.7011 -3.1818 -3.1818 -3.0009 -3.0009 -2.4878 -2.4878 -1.9246 -1.9246 -1.8220 -1.8220 -1.6502 -1.6502 -1.6037 -1.6037 -1.4962 -1.4962 -1.3665 -1.3665 -1.1777 -1.1777 4.2785 4.2785 4.3791 4.3791 4.9706 4.9706 5.0567 5.0567 5.0932 5.0932 k = 0.0000 0.3478-0.0000 ( 7508 PWs) bands (ev): -40.0461 -40.0461 -40.0460 -40.0460 -21.2740 -21.2740 -21.2718 -21.2718 -20.9091 -20.9091 -20.9077 -20.9077 -20.8730 -20.8730 -20.8726 -20.8726 -8.4673 -8.4673 -8.1023 -8.1023 -7.8004 -7.8004 -7.7064 -7.7064 -4.1805 -4.1805 -3.7271 -3.7271 -3.1851 -3.1851 -2.9922 -2.9922 -2.4579 -2.4579 -1.9596 -1.9596 -1.8232 -1.8232 -1.6514 -1.6514 -1.5999 -1.5999 -1.4818 -1.4818 -1.3756 -1.3756 -1.1915 -1.1915 4.2926 4.2926 4.3829 4.3829 4.9970 4.9971 5.0656 5.0656 5.1037 5.1037 k = 0.0000 0.3696-0.0000 ( 7506 PWs) bands (ev): -40.0461 -40.0461 -40.0460 -40.0460 -21.2739 -21.2739 -21.2719 -21.2719 -20.9089 -20.9089 -20.9078 -20.9078 -20.8730 -20.8730 -20.8727 -20.8727 -8.4462 -8.4462 -8.1289 -8.1289 -7.7985 -7.7985 -7.7077 -7.7077 -4.1502 -4.1502 -3.7536 -3.7536 -3.1881 -3.1881 -2.9845 -2.9845 -2.4268 -2.4268 -1.9955 -1.9955 -1.8243 -1.8243 -1.6524 -1.6524 -1.5961 -1.5961 -1.4676 -1.4676 -1.3842 -1.3842 -1.2052 -1.2052 4.3063 4.3063 4.3856 4.3856 5.0244 5.0244 5.0739 5.0739 5.1133 5.1134 k = 0.0000 0.3913-0.0000 ( 7498 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2737 -21.2737 -21.2720 -21.2720 -20.9088 -20.9088 -20.9079 -20.9079 -20.8730 -20.8730 -20.8727 -20.8727 -8.4244 -8.4244 -8.1555 -8.1555 -7.7968 -7.7968 -7.7088 -7.7088 -4.1201 -4.1201 -3.7803 -3.7803 -3.1907 -3.1907 -2.9778 -2.9778 -2.3944 -2.3944 -2.0321 -2.0321 -1.8251 -1.8251 -1.6533 -1.6533 -1.5922 -1.5922 -1.4539 -1.4539 -1.3923 -1.3923 -1.2186 -1.2186 4.3193 4.3193 4.3871 4.3871 5.0525 5.0525 5.0816 5.0816 5.1218 5.1218 k = 0.0000 0.4130-0.0000 ( 7512 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2736 -21.2736 -21.2722 -21.2722 -20.9088 -20.9088 -20.9080 -20.9080 -20.8730 -20.8730 -20.8727 -20.8727 -8.4021 -8.4021 -8.1818 -8.1818 -7.7953 -7.7953 -7.7100 -7.7100 -4.0905 -4.0905 -3.8070 -3.8070 -3.1929 -3.1929 -2.9722 -2.9722 -2.3609 -2.3609 -2.0691 -2.0691 -1.8259 -1.8259 -1.6541 -1.6541 -1.5887 -1.5887 -1.4411 -1.4411 -1.3994 -1.3994 -1.2311 -1.2311 4.3313 4.3313 4.3873 4.3873 5.0808 5.0808 5.0887 5.0887 5.1290 5.1290 k = 0.0000 0.4348-0.0000 ( 7512 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2734 -21.2734 -21.2724 -21.2724 -20.9087 -20.9087 -20.9081 -20.9081 -20.8730 -20.8730 -20.8728 -20.8728 -8.3796 -8.3796 -8.2075 -8.2075 -7.7941 -7.7941 -7.7109 -7.7109 -4.0623 -4.0623 -3.8329 -3.8329 -3.1947 -3.1947 -2.9678 -2.9678 -2.3264 -2.3264 -2.1064 -2.1064 -1.8264 -1.8264 -1.6548 -1.6548 -1.5856 -1.5856 -1.4297 -1.4297 -1.4054 -1.4054 -1.2424 -1.2424 4.3422 4.3422 4.3862 4.3862 5.0936 5.0936 5.1103 5.1103 5.1347 5.1347 k = 0.0000 0.4565-0.0000 ( 7518 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2732 -21.2732 -21.2726 -21.2726 -20.9086 -20.9086 -20.9082 -20.9082 -20.8729 -20.8729 -20.8728 -20.8728 -8.3578 -8.3578 -8.2316 -8.2316 -7.7931 -7.7931 -7.7116 -7.7116 -4.0369 -4.0369 -3.8565 -3.8565 -3.1959 -3.1959 -2.9647 -2.9647 -2.2910 -2.2910 -2.1438 -2.1438 -1.8268 -1.8268 -1.6552 -1.6552 -1.5831 -1.5831 -1.4205 -1.4205 -1.4099 -1.4099 -1.2514 -1.2514 4.3516 4.3516 4.3840 4.3840 5.0979 5.0979 5.1373 5.1373 5.1398 5.1398 k = 0.0000 0.4783-0.0000 ( 7526 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2731 -21.2731 -21.2728 -21.2728 -20.9085 -20.9085 -20.9083 -20.9083 -20.8729 -20.8729 -20.8729 -20.8729 -8.3390 -8.3390 -8.2518 -8.2518 -7.7926 -7.7926 -7.7121 -7.7121 -4.0176 -4.0176 -3.8747 -3.8747 -3.1967 -3.1967 -2.9627 -2.9627 -2.2550 -2.2550 -2.1811 -2.1811 -1.8270 -1.8270 -1.6555 -1.6555 -1.5816 -1.5816 -1.4146 -1.4146 -1.4126 -1.4126 -1.2574 -1.2574 4.3587 4.3587 4.3813 4.3813 5.1005 5.1005 5.1411 5.1411 5.1636 5.1636 k = 0.0000 0.5000-0.0000 ( 7520 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9084 -20.9084 -20.9084 -20.9084 -20.8729 -20.8729 -20.8729 -20.8729 -8.3304 -8.3304 -8.2609 -8.2609 -7.7924 -7.7924 -7.7123 -7.7123 -4.0099 -4.0099 -3.8820 -3.8820 -3.1969 -3.1969 -2.9621 -2.9621 -2.2205 -2.2205 -2.2160 -2.2160 -1.8271 -1.8271 -1.6556 -1.6556 -1.5810 -1.5810 -1.4140 -1.4140 -1.4120 -1.4120 -1.2596 -1.2596 4.3617 4.3617 4.3798 4.3798 5.1014 5.1014 5.1420 5.1420 5.1762 5.1762 k = 0.0000 0.5000-0.0000 ( 7520 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9084 -20.9084 -20.9084 -20.9084 -20.8729 -20.8729 -20.8729 -20.8729 -8.3304 -8.3304 -8.2609 -8.2609 -7.7924 -7.7924 -7.7123 -7.7123 -4.0099 -4.0099 -3.8820 -3.8820 -3.1969 -3.1969 -2.9621 -2.9621 -2.2205 -2.2205 -2.2160 -2.2160 -1.8271 -1.8271 -1.6556 -1.6556 -1.5810 -1.5810 -1.4140 -1.4140 -1.4120 -1.4120 -1.2596 -1.2596 4.3617 4.3617 4.3798 4.3798 5.1014 5.1014 5.1420 5.1420 5.1762 5.1762 k = 0.0217 0.5000-0.0000 ( 7520 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9084 -20.9084 -20.9083 -20.9083 -20.8729 -20.8729 -20.8729 -20.8729 -8.3299 -8.3299 -8.2606 -8.2606 -7.7930 -7.7930 -7.7126 -7.7126 -4.0096 -4.0096 -3.8823 -3.8823 -3.1989 -3.1989 -2.9594 -2.9594 -2.2199 -2.2199 -2.2152 -2.2152 -1.8272 -1.8272 -1.6551 -1.6551 -1.5818 -1.5818 -1.4150 -1.4150 -1.4122 -1.4122 -1.2600 -1.2600 4.3612 4.3612 4.3792 4.3792 5.1002 5.1002 5.1421 5.1421 5.1769 5.1769 k = 0.0435 0.5000-0.0000 ( 7516 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9084 -20.9084 -20.9083 -20.9083 -20.8729 -20.8729 -20.8728 -20.8728 -8.3286 -8.3286 -8.2598 -8.2598 -7.7949 -7.7949 -7.7134 -7.7134 -4.0087 -4.0087 -3.8832 -3.8832 -3.2046 -3.2046 -2.9516 -2.9516 -2.2182 -2.2182 -2.2128 -2.2128 -1.8275 -1.8275 -1.6535 -1.6535 -1.5843 -1.5843 -1.4180 -1.4180 -1.4123 -1.4123 -1.2613 -1.2613 4.3596 4.3596 4.3774 4.3774 5.0968 5.0968 5.1424 5.1424 5.1790 5.1790 k = 0.0652 0.5000-0.0000 ( 7504 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9084 -20.9084 -20.9083 -20.9083 -20.8730 -20.8730 -20.8728 -20.8728 -8.3264 -8.3264 -8.2585 -8.2585 -7.7980 -7.7980 -7.7149 -7.7149 -4.0072 -4.0072 -3.8846 -3.8846 -3.2132 -3.2132 -2.9393 -2.9393 -2.2154 -2.2154 -2.2089 -2.2089 -1.8281 -1.8281 -1.6509 -1.6509 -1.5883 -1.5883 -1.4232 -1.4232 -1.4125 -1.4125 -1.2635 -1.2635 4.3571 4.3571 4.3746 4.3746 5.0916 5.0916 5.1425 5.1425 5.1825 5.1825 k = 0.0870 0.5000-0.0000 ( 7502 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9085 -20.9085 -20.9082 -20.9082 -20.8730 -20.8730 -20.8727 -20.8727 -8.3234 -8.3234 -8.2566 -8.2566 -7.8024 -7.8024 -7.7169 -7.7169 -4.0051 -4.0051 -3.8865 -3.8865 -3.2241 -3.2241 -2.9235 -2.9235 -2.2114 -2.2114 -2.2034 -2.2034 -1.8288 -1.8288 -1.6474 -1.6474 -1.5940 -1.5940 -1.4305 -1.4305 -1.4128 -1.4128 -1.2666 -1.2666 4.3537 4.3537 4.3706 4.3706 5.0852 5.0852 5.1420 5.1420 5.1872 5.1872 k = 0.1087 0.5000-0.0000 ( 7504 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9085 -20.9085 -20.9082 -20.9082 -20.8730 -20.8730 -20.8727 -20.8727 -8.3195 -8.3195 -8.2543 -8.2543 -7.8079 -7.8079 -7.7195 -7.7195 -4.0025 -4.0025 -3.8889 -3.8889 -3.2363 -3.2363 -2.9051 -2.9051 -2.2062 -2.2062 -2.1964 -2.1964 -1.8296 -1.8296 -1.6429 -1.6429 -1.6012 -1.6012 -1.4398 -1.4398 -1.4131 -1.4131 -1.2706 -1.2706 4.3494 4.3494 4.3657 4.3657 5.0777 5.0777 5.1408 5.1408 5.1930 5.1930 k = 0.1304 0.5000-0.0000 ( 7516 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9085 -20.9085 -20.9082 -20.9082 -20.8731 -20.8731 -20.8727 -20.8727 -8.3148 -8.3148 -8.2515 -8.2515 -7.8145 -7.8145 -7.7226 -7.7226 -3.9994 -3.9994 -3.8917 -3.8917 -3.2495 -3.2495 -2.8846 -2.8846 -2.2000 -2.2000 -2.1878 -2.1878 -1.8306 -1.8306 -1.6375 -1.6375 -1.6100 -1.6100 -1.4511 -1.4511 -1.4135 -1.4135 -1.2754 -1.2754 4.3443 4.3443 4.3599 4.3599 5.0696 5.0696 5.1386 5.1386 5.1998 5.1998 k = 0.1522 0.5000-0.0000 ( 7512 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9086 -20.9086 -20.9082 -20.9082 -20.8731 -20.8731 -20.8726 -20.8726 -8.3094 -8.3094 -8.2483 -8.2483 -7.8221 -7.8221 -7.7262 -7.7262 -3.9959 -3.9959 -3.8948 -3.8948 -3.2630 -3.2630 -2.8626 -2.8626 -2.1928 -2.1928 -2.1778 -2.1778 -1.8317 -1.8317 -1.6313 -1.6313 -1.6202 -1.6202 -1.4642 -1.4642 -1.4139 -1.4139 -1.2809 -1.2809 4.3386 4.3386 4.3534 4.3534 5.0612 5.0612 5.1356 5.1356 5.2074 5.2074 k = 0.1739 0.5000-0.0000 ( 7518 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2729 -21.2729 -20.9086 -20.9086 -20.9082 -20.9082 -20.8731 -20.8731 -20.8726 -20.8726 -8.3032 -8.3032 -8.2447 -8.2447 -7.8306 -7.8306 -7.7303 -7.7303 -3.9920 -3.9920 -3.8982 -3.8982 -3.2766 -3.2766 -2.8396 -2.8396 -2.1846 -2.1846 -2.1663 -2.1663 -1.8328 -1.8328 -1.6320 -1.6320 -1.6243 -1.6243 -1.4791 -1.4791 -1.4144 -1.4144 -1.2873 -1.2873 4.3324 4.3324 4.3462 4.3462 5.0525 5.0525 5.1316 5.1316 5.2156 5.2156 k = 0.1957 0.5000-0.0000 ( 7502 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9086 -20.9086 -20.9081 -20.9081 -20.8731 -20.8731 -20.8725 -20.8725 -8.2963 -8.2963 -8.2408 -8.2408 -7.8400 -7.8400 -7.7347 -7.7347 -3.9877 -3.9877 -3.9019 -3.9019 -3.2900 -3.2900 -2.8161 -2.8161 -2.1754 -2.1754 -2.1533 -2.1533 -1.8339 -1.8339 -1.6450 -1.6450 -1.6165 -1.6165 -1.4958 -1.4958 -1.4149 -1.4149 -1.2944 -1.2944 4.3258 4.3258 4.3386 4.3386 5.0439 5.0439 5.1270 5.1270 5.2244 5.2244 k = 0.2174 0.5000-0.0000 ( 7498 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9087 -20.9087 -20.9081 -20.9081 -20.8731 -20.8731 -20.8725 -20.8725 -8.2887 -8.2887 -8.2366 -8.2366 -7.8501 -7.8501 -7.7395 -7.7395 -3.9832 -3.9832 -3.9057 -3.9057 -3.3030 -3.3030 -2.7922 -2.7922 -2.1653 -2.1653 -2.1389 -2.1389 -1.8350 -1.8350 -1.6594 -1.6594 -1.6081 -1.6081 -1.5140 -1.5140 -1.4154 -1.4154 -1.3021 -1.3021 4.3190 4.3190 4.3306 4.3306 5.0354 5.0354 5.1217 5.1217 5.2334 5.2334 k = 0.2391 0.5000-0.0000 ( 7490 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2728 -21.2728 -20.9087 -20.9087 -20.9081 -20.9081 -20.8731 -20.8731 -20.8724 -20.8724 -8.2806 -8.2806 -8.2322 -8.2322 -7.8608 -7.8608 -7.7446 -7.7446 -3.9785 -3.9785 -3.9095 -3.9095 -3.3156 -3.3156 -2.7685 -2.7685 -2.1543 -2.1543 -2.1231 -2.1231 -1.8360 -1.8360 -1.6750 -1.6750 -1.5991 -1.5991 -1.5337 -1.5337 -1.4159 -1.4159 -1.3105 -1.3105 4.3120 4.3120 4.3225 4.3225 5.0270 5.0270 5.1160 5.1160 5.2425 5.2425 k = 0.2609 0.5000-0.0000 ( 7488 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2728 -21.2728 -20.9087 -20.9087 -20.9081 -20.9081 -20.8731 -20.8731 -20.8724 -20.8724 -8.2720 -8.2720 -8.2276 -8.2276 -7.8719 -7.8719 -7.7498 -7.7498 -3.9736 -3.9736 -3.9134 -3.9134 -3.3276 -3.3276 -2.7451 -2.7451 -2.1424 -2.1424 -2.1059 -2.1059 -1.8371 -1.8371 -1.6916 -1.6916 -1.5896 -1.5896 -1.5549 -1.5549 -1.4165 -1.4165 -1.3195 -1.3195 4.3051 4.3051 4.3143 4.3143 5.0191 5.0191 5.1099 5.1099 5.2516 5.2516 k = 0.2826 0.5000-0.0000 ( 7496 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9087 -20.9087 -20.9081 -20.9081 -20.8731 -20.8731 -20.8724 -20.8724 -8.2630 -8.2630 -8.2230 -8.2230 -7.8835 -7.8835 -7.7551 -7.7551 -3.9688 -3.9688 -3.9172 -3.9172 -3.3389 -3.3389 -2.7224 -2.7224 -2.1298 -2.1298 -2.0875 -2.0875 -1.8381 -1.8381 -1.7093 -1.7093 -1.5797 -1.5797 -1.5773 -1.5773 -1.4170 -1.4170 -1.3291 -1.3291 4.2983 4.2983 4.3062 4.3062 5.0115 5.0115 5.1038 5.1038 5.2605 5.2605 k = 0.3043 0.5000-0.0000 ( 7490 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9081 -20.9081 -20.8731 -20.8731 -20.8723 -20.8723 -8.2537 -8.2537 -8.2184 -8.2184 -7.8952 -7.8952 -7.7603 -7.7603 -3.9641 -3.9641 -3.9209 -3.9209 -3.3495 -3.3495 -2.7006 -2.7006 -2.1163 -2.1163 -2.0678 -2.0678 -1.8389 -1.8389 -1.7279 -1.7279 -1.6008 -1.6008 -1.5693 -1.5693 -1.4175 -1.4175 -1.3390 -1.3390 4.2917 4.2917 4.2984 4.2984 5.0045 5.0045 5.0977 5.0977 5.2691 5.2692 k = 0.3261 0.5000-0.0000 ( 7492 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9081 -20.9081 -20.8732 -20.8732 -20.8723 -20.8723 -8.2443 -8.2443 -8.2140 -8.2140 -7.9069 -7.9069 -7.7655 -7.7655 -3.9595 -3.9595 -3.9244 -3.9244 -3.3592 -3.3592 -2.6802 -2.6802 -2.1021 -2.1021 -2.0469 -2.0469 -1.8397 -1.8397 -1.7471 -1.7471 -1.6252 -1.6252 -1.5586 -1.5586 -1.4180 -1.4180 -1.3494 -1.3494 4.2855 4.2855 4.2910 4.2910 4.9980 4.9980 5.0919 5.0919 5.2773 5.2774 k = 0.3478 0.5000-0.0000 ( 7490 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9081 -20.9081 -20.8732 -20.8732 -20.8723 -20.8723 -8.2349 -8.2349 -8.2097 -8.2097 -7.9184 -7.9184 -7.7704 -7.7704 -3.9551 -3.9551 -3.9275 -3.9275 -3.3679 -3.3679 -2.6613 -2.6613 -2.0873 -2.0873 -2.0250 -2.0250 -1.8405 -1.8405 -1.7668 -1.7668 -1.6505 -1.6505 -1.5476 -1.5476 -1.4185 -1.4185 -1.3601 -1.3601 4.2797 4.2797 4.2841 4.2841 4.9922 4.9922 5.0863 5.0863 5.2849 5.2856 k = 0.3696 0.5000-0.0000 ( 7488 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9081 -20.9081 -20.8732 -20.8732 -20.8723 -20.8723 -8.2258 -8.2258 -8.2058 -8.2058 -7.9294 -7.9294 -7.7749 -7.7749 -3.9512 -3.9512 -3.9304 -3.9304 -3.3757 -3.3757 -2.6443 -2.6443 -2.0720 -2.0720 -2.0022 -2.0022 -1.8411 -1.8411 -1.7867 -1.7867 -1.6764 -1.6764 -1.5366 -1.5366 -1.4189 -1.4189 -1.3709 -1.3709 4.2746 4.2746 4.2779 4.2779 4.9870 4.9870 5.0813 5.0813 5.2917 5.2923 k = 0.3913 0.5000-0.0000 ( 7476 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9080 -20.9080 -20.8731 -20.8731 -20.8722 -20.8722 -8.2172 -8.2172 -8.2022 -8.2022 -7.9396 -7.9396 -7.7790 -7.7790 -3.9476 -3.9476 -3.9329 -3.9329 -3.3824 -3.3824 -2.6294 -2.6294 -2.0563 -2.0563 -1.9785 -1.9785 -1.8416 -1.8416 -1.8065 -1.8065 -1.7027 -1.7027 -1.5255 -1.5255 -1.4193 -1.4193 -1.3818 -1.3818 4.2701 4.2701 4.2724 4.2724 4.9826 4.9826 5.0769 5.0769 5.2978 5.2979 k = 0.4130 0.5000-0.0000 ( 7470 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9080 -20.9080 -20.8731 -20.8731 -20.8722 -20.8722 -8.2094 -8.2094 -8.1991 -8.1991 -7.9488 -7.9488 -7.7825 -7.7825 -3.9446 -3.9446 -3.9350 -3.9350 -3.3880 -3.3880 -2.6168 -2.6168 -2.0407 -2.0407 -1.9543 -1.9543 -1.8420 -1.8420 -1.8257 -1.8257 -1.7293 -1.7293 -1.5147 -1.5147 -1.4196 -1.4196 -1.3924 -1.3924 4.2663 4.2663 4.2679 4.2679 4.9789 4.9789 5.0731 5.0731 5.3027 5.3033 k = 0.4348 0.5000-0.0000 ( 7466 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9080 -20.9080 -20.8731 -20.8731 -20.8722 -20.8722 -8.2028 -8.2028 -8.1967 -8.1967 -7.9565 -7.9565 -7.7854 -7.7854 -3.9422 -3.9422 -3.9367 -3.9367 -3.3924 -3.3924 -2.6068 -2.6068 -2.0257 -2.0257 -1.9297 -1.9297 -1.8437 -1.8437 -1.8422 -1.8422 -1.7556 -1.7556 -1.5044 -1.5044 -1.4198 -1.4198 -1.4025 -1.4025 4.2633 4.2633 4.2642 4.2642 4.9760 4.9760 5.0701 5.0701 5.3069 5.3084 k = 0.4565 0.5000-0.0000 ( 7468 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9080 -20.9080 -20.8731 -20.8731 -20.8722 -20.8722 -8.1977 -8.1977 -8.1948 -8.1948 -7.9624 -7.9624 -7.7875 -7.7875 -3.9404 -3.9404 -3.9379 -3.9379 -3.3956 -3.3956 -2.5996 -2.5996 -2.0126 -2.0126 -1.9057 -1.9057 -1.8588 -1.8588 -1.8426 -1.8426 -1.7810 -1.7810 -1.4956 -1.4956 -1.4200 -1.4200 -1.4113 -1.4113 4.2611 4.2611 4.2615 4.2615 4.9739 4.9739 5.0680 5.0680 5.3093 5.3110 k = 0.4783 0.5000-0.0000 ( 7464 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9080 -20.9080 -20.8731 -20.8731 -20.8722 -20.8722 -8.1945 -8.1945 -8.1937 -8.1937 -7.9661 -7.9661 -7.7887 -7.7887 -3.9393 -3.9393 -3.9387 -3.9387 -3.3975 -3.3975 -2.5951 -2.5951 -2.0032 -2.0032 -1.8842 -1.8842 -1.8696 -1.8696 -1.8427 -1.8427 -1.8033 -1.8033 -1.4891 -1.4891 -1.4201 -1.4201 -1.4177 -1.4177 4.2597 4.2597 4.2600 4.2600 4.9727 4.9727 5.0666 5.0666 5.3105 5.3119 k = 0.5000 0.5000-0.0000 ( 7472 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9089 -20.9089 -20.9080 -20.9080 -20.8732 -20.8732 -20.8722 -20.8722 -8.1934 -8.1934 -8.1934 -8.1934 -7.9674 -7.9674 -7.7892 -7.7892 -3.9390 -3.9390 -3.9389 -3.9389 -3.3982 -3.3982 -2.5937 -2.5937 -1.9996 -1.9996 -1.8737 -1.8737 -1.8735 -1.8735 -1.8428 -1.8428 -1.8142 -1.8142 -1.4867 -1.4867 -1.4202 -1.4202 -1.4202 -1.4202 4.2592 4.2592 4.2595 4.2595 4.9723 4.9723 5.0662 5.0662 5.3108 5.3119 k = 0.5000 0.5000-0.0000 ( 7472 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9089 -20.9089 -20.9080 -20.9080 -20.8732 -20.8732 -20.8722 -20.8722 -8.1934 -8.1934 -8.1934 -8.1934 -7.9674 -7.9674 -7.7892 -7.7892 -3.9390 -3.9390 -3.9389 -3.9389 -3.3982 -3.3982 -2.5937 -2.5937 -1.9996 -1.9996 -1.8737 -1.8737 -1.8735 -1.8735 -1.8428 -1.8428 -1.8142 -1.8142 -1.4867 -1.4867 -1.4202 -1.4202 -1.4202 -1.4202 4.2592 4.2592 4.2595 4.2595 4.9723 4.9723 5.0662 5.0662 5.3124 5.3132 k = 0.4844 0.4844-0.0000 ( 7462 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9080 -20.9080 -20.8731 -20.8731 -20.8722 -20.8722 -8.1956 -8.1956 -8.1926 -8.1926 -7.9661 -7.9661 -7.7887 -7.7887 -3.9401 -3.9401 -3.9378 -3.9378 -3.3975 -3.3975 -2.5952 -2.5952 -2.0035 -2.0035 -1.8812 -1.8812 -1.8728 -1.8728 -1.8427 -1.8427 -1.8027 -1.8027 -1.4891 -1.4891 -1.4206 -1.4206 -1.4172 -1.4172 4.2592 4.2592 4.2606 4.2606 4.9727 4.9727 5.0667 5.0667 5.3103 5.3110 k = 0.4688 0.4687-0.0000 ( 7474 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9088 -20.9088 -20.9080 -20.9080 -20.8732 -20.8732 -20.8722 -20.8722 -8.2021 -8.2021 -8.1905 -8.1905 -7.9623 -7.9623 -7.7874 -7.7874 -3.9437 -3.9437 -3.9346 -3.9346 -3.3955 -3.3955 -2.5997 -2.5997 -2.0152 -2.0152 -1.8938 -1.8938 -1.8706 -1.8706 -1.8426 -1.8426 -1.7784 -1.7784 -1.4956 -1.4956 -1.4220 -1.4220 -1.4093 -1.4093 4.2586 4.2586 4.2641 4.2641 4.9739 4.9739 5.0680 5.0680 5.3064 5.3072 k = 0.4531 0.4531-0.0000 ( 7480 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9089 -20.9089 -20.9080 -20.9080 -20.8732 -20.8732 -20.8722 -20.8722 -8.2124 -8.2124 -8.1869 -8.1869 -7.9567 -7.9567 -7.7852 -7.7852 -3.9497 -3.9497 -3.9293 -3.9293 -3.3922 -3.3922 -2.6072 -2.6072 -2.0347 -2.0347 -1.9028 -1.9028 -1.8669 -1.8669 -1.8423 -1.8423 -1.7501 -1.7501 -1.5042 -1.5042 -1.4243 -1.4243 -1.3983 -1.3983 4.2577 4.2577 4.2699 4.2699 4.9758 4.9758 5.0705 5.0705 5.2993 5.2998 k = 0.4375 0.4375-0.0000 ( 7494 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9089 -20.9089 -20.9081 -20.9081 -20.8732 -20.8732 -20.8722 -20.8722 -8.2258 -8.2258 -8.1820 -8.1820 -7.9497 -7.9497 -7.7822 -7.7822 -3.9580 -3.9580 -3.9219 -3.9219 -3.3878 -3.3878 -2.6175 -2.6175 -2.0604 -2.0604 -1.9068 -1.9068 -1.8618 -1.8618 -1.8420 -1.8420 -1.7205 -1.7205 -1.5138 -1.5138 -1.4274 -1.4274 -1.3855 -1.3855 4.2564 4.2564 4.2777 4.2777 4.9781 4.9781 5.0740 5.0740 5.2891 5.2891 k = 0.4219 0.4219-0.0000 ( 7488 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2731 -21.2731 -21.2727 -21.2727 -20.9088 -20.9088 -20.9081 -20.9081 -20.8732 -20.8732 -20.8723 -20.8723 -8.2417 -8.2417 -8.1756 -8.1756 -7.9419 -7.9419 -7.7784 -7.7784 -3.9684 -3.9684 -3.9125 -3.9125 -3.3821 -3.3821 -2.6303 -2.6303 -2.0902 -2.0902 -1.9069 -1.9069 -1.8555 -1.8555 -1.8416 -1.8416 -1.6906 -1.6906 -1.5235 -1.5235 -1.4314 -1.4314 -1.3715 -1.3715 4.2547 4.2547 4.2873 4.2873 4.9807 4.9807 5.0787 5.0787 5.2762 5.2762 k = 0.4062 0.4062-0.0000 ( 7492 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2731 -21.2731 -21.2727 -21.2727 -20.9088 -20.9088 -20.9081 -20.9081 -20.8732 -20.8732 -20.8723 -20.8723 -8.2595 -8.2595 -8.1680 -8.1680 -7.9337 -7.9337 -7.7739 -7.7739 -3.9810 -3.9810 -3.9012 -3.9012 -3.3755 -3.3755 -2.6456 -2.6456 -2.1226 -2.1226 -1.9042 -1.9042 -1.8480 -1.8480 -1.8410 -1.8410 -1.6610 -1.6610 -1.5331 -1.5331 -1.4363 -1.4363 -1.3568 -1.3568 4.2528 4.2528 4.2982 4.2982 4.9831 4.9831 5.0846 5.0846 5.2605 5.2605 k = 0.3906 0.3906-0.0000 ( 7492 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2732 -21.2732 -21.2726 -21.2726 -20.9088 -20.9088 -20.9080 -20.9080 -20.8732 -20.8732 -20.8723 -20.8723 -8.2787 -8.2787 -8.1590 -8.1590 -7.9255 -7.9255 -7.7689 -7.7689 -3.9955 -3.9955 -3.8880 -3.8880 -3.3678 -3.3678 -2.6629 -2.6629 -2.1563 -2.1563 -1.8993 -1.8993 -1.8404 -1.8404 -1.8394 -1.8394 -1.6320 -1.6320 -1.5425 -1.5425 -1.4419 -1.4419 -1.3415 -1.3415 4.2506 4.2506 4.3101 4.3101 4.9852 4.9852 5.0916 5.0916 5.2423 5.2423 k = 0.3750 0.3750-0.0000 ( 7484 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2733 -21.2733 -21.2725 -21.2725 -20.9088 -20.9088 -20.9080 -20.9080 -20.8731 -20.8731 -20.8723 -20.8723 -8.2989 -8.2989 -8.1489 -8.1489 -7.9174 -7.9174 -7.7634 -7.7634 -4.0120 -4.0120 -3.8733 -3.8733 -3.3593 -3.3593 -2.6821 -2.6821 -2.1907 -2.1907 -1.8928 -1.8928 -1.8396 -1.8396 -1.8302 -1.8302 -1.6037 -1.6037 -1.5514 -1.5514 -1.4482 -1.4482 -1.3258 -1.3258 4.2480 4.2480 4.3225 4.3225 4.9868 4.9868 5.0996 5.0996 5.2217 5.2217 k = 0.3594 0.3594-0.0000 ( 7488 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2733 -21.2733 -21.2724 -21.2724 -20.9089 -20.9089 -20.9080 -20.9080 -20.8731 -20.8731 -20.8723 -20.8723 -8.3199 -8.3199 -8.1375 -8.1375 -7.9098 -7.9098 -7.7575 -7.7575 -4.0302 -4.0302 -3.8570 -3.8570 -3.3500 -3.3500 -2.7029 -2.7029 -2.2255 -2.2255 -1.8849 -1.8849 -1.8387 -1.8387 -1.8203 -1.8203 -1.5763 -1.5763 -1.5599 -1.5599 -1.4553 -1.4553 -1.3099 -1.3099 4.2453 4.2453 4.3350 4.3350 4.9880 4.9880 5.1080 5.1080 5.1989 5.1989 k = 0.3438 0.3437-0.0000 ( 7496 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2734 -21.2734 -21.2724 -21.2724 -20.9089 -20.9089 -20.9080 -20.9080 -20.8732 -20.8732 -20.8723 -20.8723 -8.3412 -8.3412 -8.1251 -8.1251 -7.9025 -7.9025 -7.7515 -7.7515 -4.0500 -4.0500 -3.8393 -3.8393 -3.3401 -3.3401 -2.7250 -2.7250 -2.2602 -2.2602 -1.8757 -1.8757 -1.8377 -1.8377 -1.8097 -1.8097 -1.5679 -1.5679 -1.5499 -1.5499 -1.4629 -1.4629 -1.2938 -1.2938 4.2423 4.2423 4.3469 4.3469 4.9886 4.9886 5.1164 5.1164 5.1744 5.1744 k = 0.3281 0.3281-0.0000 ( 7496 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2736 -21.2736 -21.2722 -21.2722 -20.9089 -20.9089 -20.9079 -20.9079 -20.8731 -20.8731 -20.8724 -20.8724 -8.3628 -8.3628 -8.1116 -8.1116 -7.8956 -7.8956 -7.7454 -7.7454 -4.0713 -4.0713 -3.8204 -3.8204 -3.3295 -3.3295 -2.7481 -2.7481 -2.2945 -2.2945 -1.8654 -1.8654 -1.8366 -1.8366 -1.7987 -1.7987 -1.5755 -1.5755 -1.5247 -1.5247 -1.4712 -1.4712 -1.2775 -1.2775 4.2391 4.2391 4.3580 4.3580 4.9887 4.9887 5.1241 5.1241 5.1485 5.1485 k = 0.3125 0.3125-0.0000 ( 7492 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2737 -21.2737 -21.2721 -21.2721 -20.9090 -20.9090 -20.9079 -20.9079 -20.8731 -20.8731 -20.8724 -20.8724 -8.3844 -8.3844 -8.0972 -8.0972 -7.8890 -7.8890 -7.7395 -7.7395 -4.0939 -4.0939 -3.8004 -3.8004 -3.3185 -3.3185 -2.7720 -2.7720 -2.3285 -2.3285 -1.8541 -1.8541 -1.8353 -1.8353 -1.7873 -1.7873 -1.5824 -1.5824 -1.5005 -1.5005 -1.4799 -1.4799 -1.2613 -1.2613 4.2357 4.2357 4.3678 4.3678 4.9884 4.9884 5.1202 5.1202 5.1318 5.1318 k = 0.2969 0.2969-0.0000 ( 7496 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2738 -21.2738 -21.2720 -21.2720 -20.9090 -20.9090 -20.9078 -20.9078 -20.8731 -20.8731 -20.8724 -20.8724 -8.4059 -8.4059 -8.0820 -8.0820 -7.8829 -7.8829 -7.7337 -7.7337 -4.1177 -4.1177 -3.7796 -3.7796 -3.3070 -3.3070 -2.7964 -2.7964 -2.3618 -2.3618 -1.8418 -1.8418 -1.8339 -1.8339 -1.7758 -1.7758 -1.5889 -1.5889 -1.4891 -1.4891 -1.4776 -1.4776 -1.2451 -1.2451 4.2321 4.2321 4.3759 4.3759 4.9878 4.9878 5.0927 5.0927 5.1361 5.1361 k = 0.2812 0.2812-0.0000 ( 7490 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2739 -21.2739 -21.2719 -21.2719 -20.9091 -20.9091 -20.9078 -20.9078 -20.8731 -20.8731 -20.8724 -20.8724 -8.4271 -8.4271 -8.0660 -8.0660 -7.8771 -7.8771 -7.7281 -7.7281 -4.1424 -4.1424 -3.7581 -3.7581 -3.2952 -3.2952 -2.8212 -2.8212 -2.3943 -2.3943 -1.8324 -1.8324 -1.8287 -1.8287 -1.7641 -1.7641 -1.5948 -1.5948 -1.4987 -1.4987 -1.4559 -1.4559 -1.2291 -1.2291 4.2283 4.2283 4.3820 4.3820 4.9869 4.9869 5.0643 5.0643 5.1386 5.1386 k = 0.2656 0.2656-0.0000 ( 7488 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2740 -21.2740 -21.2717 -21.2717 -20.9091 -20.9091 -20.9077 -20.9077 -20.8731 -20.8731 -20.8724 -20.8724 -8.4478 -8.4478 -8.0495 -8.0495 -7.8715 -7.8715 -7.7230 -7.7230 -4.1679 -4.1679 -3.7361 -3.7361 -3.2832 -3.2832 -2.8461 -2.8461 -2.4259 -2.4259 -1.8307 -1.8307 -1.8149 -1.8149 -1.7523 -1.7523 -1.6003 -1.6003 -1.5085 -1.5085 -1.4356 -1.4356 -1.2133 -1.2133 4.2243 4.2243 4.3859 4.3859 4.9857 4.9857 5.0359 5.0359 5.1383 5.1383 k = 0.2500 0.2500-0.0000 ( 7480 PWs) bands (ev): -40.0460 -40.0460 -40.0459 -40.0459 -21.2741 -21.2741 -21.2716 -21.2716 -20.9092 -20.9092 -20.9076 -20.9076 -20.8731 -20.8731 -20.8724 -20.8724 -8.4679 -8.4679 -8.0324 -8.0324 -7.8663 -7.8663 -7.7184 -7.7184 -4.1938 -4.1938 -3.7137 -3.7137 -3.2710 -3.2710 -2.8709 -2.8709 -2.4565 -2.4565 -1.8289 -1.8289 -1.8005 -1.8005 -1.7407 -1.7407 -1.6052 -1.6052 -1.5186 -1.5186 -1.4165 -1.4165 -1.1978 -1.1978 4.2201 4.2201 4.3876 4.3876 4.9844 4.9844 5.0078 5.0078 5.1351 5.1351 k = 0.2344 0.2344-0.0000 ( 7484 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2742 -21.2742 -21.2715 -21.2715 -20.9092 -20.9092 -20.9076 -20.9076 -20.8731 -20.8731 -20.8724 -20.8724 -8.4873 -8.4873 -8.0151 -8.0151 -7.8614 -7.8614 -7.7143 -7.7143 -4.2201 -4.2201 -3.6912 -3.6912 -3.2588 -3.2588 -2.8955 -2.8955 -2.4859 -2.4859 -1.8270 -1.8270 -1.7857 -1.7857 -1.7292 -1.7292 -1.6097 -1.6097 -1.5288 -1.5288 -1.3987 -1.3987 -1.1828 -1.1828 4.2157 4.2157 4.3870 4.3870 4.9799 4.9799 4.9834 4.9834 5.1290 5.1290 k = 0.2188 0.2187-0.0000 ( 7482 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2744 -21.2744 -21.2714 -21.2714 -20.9093 -20.9093 -20.9075 -20.9075 -20.8731 -20.8731 -20.8724 -20.8724 -8.5060 -8.5060 -7.9974 -7.9974 -7.8567 -7.8567 -7.7107 -7.7107 -4.2465 -4.2465 -3.6687 -3.6687 -3.2465 -3.2465 -2.9197 -2.9197 -2.5141 -2.5141 -1.8249 -1.8249 -1.7706 -1.7706 -1.7180 -1.7180 -1.6137 -1.6137 -1.5391 -1.5391 -1.3822 -1.3822 -1.1682 -1.1682 4.2110 4.2110 4.3843 4.3843 4.9535 4.9535 4.9817 4.9817 5.1201 5.1201 k = 0.2031 0.2031-0.0000 ( 7478 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2745 -21.2745 -21.2712 -21.2712 -20.9094 -20.9094 -20.9074 -20.9074 -20.8731 -20.8731 -20.8724 -20.8724 -8.5238 -8.5238 -7.9797 -7.9797 -7.8523 -7.8523 -7.7076 -7.7076 -4.2727 -4.2727 -3.6464 -3.6464 -3.2344 -3.2344 -2.9434 -2.9434 -2.5408 -2.5408 -1.8226 -1.8226 -1.7553 -1.7553 -1.7071 -1.7071 -1.6173 -1.6173 -1.5493 -1.5493 -1.3671 -1.3671 -1.1541 -1.1541 4.2059 4.2059 4.3797 4.3797 4.9280 4.9280 4.9801 4.9801 5.1088 5.1088 k = 0.1875 0.1875-0.0000 ( 7472 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2746 -21.2746 -21.2711 -21.2711 -20.9094 -20.9094 -20.9074 -20.9074 -20.8731 -20.8731 -20.8723 -20.8723 -8.5406 -8.5406 -7.9621 -7.9621 -7.8481 -7.8481 -7.7052 -7.7052 -4.2984 -4.2984 -3.6243 -3.6243 -3.2225 -3.2225 -2.9664 -2.9664 -2.5661 -2.5661 -1.8202 -1.8202 -1.7401 -1.7401 -1.6965 -1.6965 -1.6205 -1.6205 -1.5595 -1.5595 -1.3532 -1.3532 -1.1408 -1.1408 4.2004 4.2004 4.3735 4.3735 4.9039 4.9039 4.9786 4.9786 5.0957 5.0957 k = 0.1719 0.1719-0.0000 ( 7470 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2747 -21.2747 -21.2710 -21.2710 -20.9095 -20.9095 -20.9073 -20.9073 -20.8731 -20.8731 -20.8723 -20.8723 -8.5563 -8.5563 -7.9447 -7.9447 -7.8443 -7.8443 -7.7035 -7.7035 -4.3234 -4.3234 -3.6028 -3.6028 -3.2110 -3.2110 -2.9887 -2.9887 -2.5898 -2.5898 -1.8177 -1.8177 -1.7251 -1.7251 -1.6865 -1.6865 -1.6234 -1.6234 -1.5694 -1.5694 -1.3406 -1.3406 -1.1281 -1.1281 4.1946 4.1946 4.3661 4.3661 4.8812 4.8812 4.9771 4.9771 5.0813 5.0813 k = 0.1562 0.1562-0.0000 ( 7470 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2748 -21.2748 -21.2709 -21.2709 -20.9096 -20.9096 -20.9073 -20.9073 -20.8731 -20.8731 -20.8723 -20.8723 -8.5709 -8.5709 -7.9276 -7.9276 -7.8407 -7.8407 -7.7024 -7.7024 -4.3474 -4.3474 -3.5819 -3.5819 -3.1999 -3.1999 -3.0102 -3.0102 -2.6119 -2.6119 -1.8150 -1.8150 -1.7106 -1.7106 -1.6771 -1.6771 -1.6258 -1.6258 -1.5791 -1.5791 -1.3292 -1.3292 -1.1162 -1.1162 4.1883 4.1883 4.3579 4.3579 4.8601 4.8601 4.9757 4.9757 5.0661 5.0661 k = 0.1406 0.1406-0.0000 ( 7480 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2749 -21.2749 -21.2708 -21.2708 -20.9097 -20.9097 -20.9072 -20.9072 -20.8731 -20.8731 -20.8723 -20.8723 -8.5844 -8.5844 -7.9112 -7.9112 -7.8373 -7.8373 -7.7018 -7.7018 -4.3701 -4.3701 -3.5618 -3.5618 -3.1893 -3.1893 -3.0307 -3.0307 -2.6322 -2.6322 -1.8123 -1.8123 -1.6966 -1.6966 -1.6682 -1.6682 -1.6280 -1.6280 -1.5885 -1.5885 -1.3191 -1.3191 -1.1053 -1.1053 4.1816 4.1816 4.3494 4.3494 4.8408 4.8408 4.9743 4.9743 5.0507 5.0507 k = 0.1250 0.1250-0.0000 ( 7478 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2750 -21.2750 -21.2707 -21.2707 -20.9097 -20.9097 -20.9072 -20.9072 -20.8731 -20.8731 -20.8723 -20.8723 -8.5965 -8.5965 -7.8954 -7.8954 -7.8343 -7.8343 -7.7019 -7.7019 -4.3912 -4.3912 -3.5427 -3.5427 -3.1794 -3.1794 -3.0500 -3.0500 -2.6506 -2.6506 -1.8096 -1.8096 -1.6834 -1.6834 -1.6601 -1.6601 -1.6299 -1.6299 -1.5973 -1.5973 -1.3101 -1.3101 -1.0952 -1.0952 4.1746 4.1746 4.3411 4.3411 4.8233 4.8233 4.9731 4.9731 5.0357 5.0357 k = 0.1094 0.1094-0.0000 ( 7480 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2751 -21.2751 -21.2706 -21.2706 -20.9098 -20.9098 -20.9071 -20.9071 -20.8731 -20.8731 -20.8722 -20.8722 -8.6074 -8.6074 -7.8806 -7.8806 -7.8316 -7.8316 -7.7025 -7.7025 -4.4106 -4.4106 -3.5247 -3.5247 -3.1704 -3.1704 -3.0682 -3.0682 -2.6671 -2.6671 -1.8068 -1.8068 -1.6713 -1.6713 -1.6527 -1.6527 -1.6315 -1.6315 -1.6055 -1.6055 -1.3024 -1.3024 -1.0862 -1.0862 4.1675 4.1675 4.3333 4.3333 4.8076 4.8076 4.9719 4.9719 5.0214 5.0214 k = 0.0938 0.0937-0.0000 ( 7474 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2752 -21.2752 -21.2705 -21.2705 -20.9098 -20.9098 -20.9071 -20.9071 -20.8731 -20.8731 -20.8722 -20.8722 -8.6169 -8.6169 -7.8669 -7.8669 -7.8292 -7.8292 -7.7036 -7.7036 -4.4279 -4.4279 -3.5080 -3.5080 -3.1622 -3.1622 -3.0848 -3.0848 -2.6817 -2.6817 -1.8042 -1.8042 -1.6603 -1.6603 -1.6462 -1.6462 -1.6328 -1.6328 -1.6130 -1.6130 -1.2957 -1.2957 -1.0782 -1.0782 4.1604 4.1604 4.3263 4.3263 4.7939 4.7939 4.9709 4.9709 5.0083 5.0083 k = 0.0781 0.0781-0.0000 ( 7470 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2752 -21.2752 -21.2704 -21.2704 -20.9099 -20.9099 -20.9071 -20.9071 -20.8731 -20.8731 -20.8722 -20.8722 -8.6250 -8.6250 -7.8546 -7.8546 -7.8271 -7.8271 -7.7050 -7.7050 -4.4430 -4.4430 -3.4931 -3.4931 -3.1551 -3.1551 -3.0997 -3.0997 -2.6941 -2.6941 -1.8017 -1.8017 -1.6507 -1.6507 -1.6405 -1.6405 -1.6339 -1.6339 -1.6197 -1.6197 -1.2902 -1.2902 -1.0714 -1.0714 4.1536 4.1536 4.3202 4.3202 4.7822 4.7822 4.9699 4.9699 4.9967 4.9967 k = 0.0625 0.0625-0.0000 ( 7466 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2753 -21.2753 -21.2704 -21.2704 -20.9099 -20.9099 -20.9070 -20.9070 -20.8730 -20.8730 -20.8722 -20.8722 -8.6317 -8.6317 -7.8439 -7.8439 -7.8253 -7.8253 -7.7067 -7.7067 -4.4556 -4.4556 -3.4801 -3.4801 -3.1491 -3.1491 -3.1127 -3.1127 -2.7044 -2.7044 -1.7995 -1.7995 -1.6427 -1.6427 -1.6358 -1.6358 -1.6348 -1.6348 -1.6255 -1.6255 -1.2857 -1.2857 -1.0657 -1.0657 4.1475 4.1475 4.3152 4.3152 4.7726 4.7726 4.9691 4.9691 4.9869 4.9869 k = 0.0469 0.0469-0.0000 ( 7470 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2753 -21.2753 -21.2704 -21.2704 -20.9099 -20.9099 -20.9070 -20.9070 -20.8730 -20.8730 -20.8722 -20.8722 -8.6369 -8.6369 -7.8352 -7.8352 -7.8238 -7.8238 -7.7084 -7.7084 -4.4656 -4.4656 -3.4694 -3.4694 -3.1444 -3.1444 -3.1232 -3.1232 -2.7124 -2.7124 -1.7976 -1.7976 -1.6364 -1.6364 -1.6354 -1.6354 -1.6319 -1.6319 -1.6301 -1.6301 -1.2822 -1.2822 -1.0613 -1.0613 4.1424 4.1424 4.3113 4.3113 4.7650 4.7650 4.9683 4.9683 4.9792 4.9792 k = 0.0312 0.0312-0.0000 ( 7474 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2753 -21.2753 -21.2703 -21.2703 -20.9099 -20.9099 -20.9070 -20.9070 -20.8730 -20.8730 -20.8722 -20.8722 -8.6406 -8.6406 -7.8289 -7.8289 -7.8225 -7.8225 -7.7099 -7.7099 -4.4728 -4.4728 -3.4615 -3.4615 -3.1411 -3.1411 -3.1310 -3.1310 -2.7182 -2.7182 -1.7962 -1.7962 -1.6359 -1.6359 -1.6335 -1.6335 -1.6319 -1.6319 -1.6290 -1.6290 -1.2798 -1.2798 -1.0581 -1.0581 4.1385 4.1385 4.3085 4.3085 4.7595 4.7595 4.9673 4.9673 4.9739 4.9739 k = 0.0156 0.0156-0.0000 ( 7481 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2754 -21.2754 -21.2703 -21.2703 -20.9099 -20.9099 -20.9070 -20.9070 -20.8731 -20.8731 -20.8722 -20.8722 -8.6429 -8.6429 -7.8256 -7.8256 -7.8211 -7.8211 -7.7109 -7.7109 -4.4772 -4.4772 -3.4565 -3.4565 -3.1397 -3.1397 -3.1352 -3.1352 -2.7217 -2.7217 -1.7953 -1.7953 -1.6362 -1.6362 -1.6356 -1.6356 -1.6295 -1.6295 -1.6270 -1.6270 -1.2783 -1.2783 -1.0562 -1.0562 4.1361 4.1361 4.3068 4.3068 4.7562 4.7562 4.9662 4.9662 4.9712 4.9712 k = 0.0000 0.0000 0.0000 ( 7489 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2754 -21.2754 -21.2703 -21.2703 -20.9100 -20.9100 -20.9070 -20.9070 -20.8731 -20.8731 -20.8722 -20.8722 -8.6437 -8.6437 -7.8248 -7.8248 -7.8204 -7.8204 -7.7113 -7.7113 -4.4787 -4.4787 -3.4548 -3.4548 -3.1399 -3.1399 -3.1361 -3.1361 -2.7229 -2.7229 -1.7950 -1.7950 -1.6364 -1.6364 -1.6362 -1.6362 -1.6287 -1.6287 -1.6263 -1.6263 -1.2779 -1.2779 -1.0555 -1.0555 4.1353 4.1353 4.3063 4.3063 4.7551 4.7551 4.9656 4.9656 4.9705 4.9705 k = 0.0000 0.0000 0.0000 ( 7489 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2754 -21.2754 -21.2703 -21.2703 -20.9100 -20.9100 -20.9070 -20.9070 -20.8731 -20.8731 -20.8722 -20.8722 -8.6437 -8.6437 -7.8248 -7.8248 -7.8204 -7.8204 -7.7113 -7.7113 -4.4787 -4.4787 -3.4548 -3.4548 -3.1399 -3.1399 -3.1361 -3.1361 -2.7229 -2.7229 -1.7950 -1.7950 -1.6364 -1.6364 -1.6362 -1.6362 -1.6287 -1.6287 -1.6263 -1.6263 -1.2779 -1.2779 -1.0555 -1.0555 4.1353 4.1353 4.3063 4.3063 4.7551 4.7551 4.9656 4.9656 4.9705 4.9705 k = 0.0000 0.0000 0.0221 ( 7489 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2754 -21.2754 -21.2704 -21.2704 -20.9100 -20.9100 -20.9071 -20.9071 -20.8731 -20.8731 -20.8722 -20.8722 -8.6429 -8.6429 -7.8246 -7.8246 -7.8202 -7.8202 -7.7112 -7.7112 -4.4778 -4.4778 -3.4548 -3.4548 -3.1400 -3.1400 -3.1362 -3.1362 -2.7223 -2.7223 -1.7980 -1.7980 -1.6493 -1.6493 -1.6482 -1.6482 -1.6171 -1.6171 -1.6155 -1.6155 -1.2770 -1.2770 -1.0578 -1.0578 4.1373 4.1373 4.3082 4.3082 4.7550 4.7550 4.9655 4.9655 4.9705 4.9705 k = 0.0000 0.0000 0.0442 ( 7481 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2754 -21.2754 -21.2704 -21.2704 -20.9100 -20.9100 -20.9071 -20.9071 -20.8731 -20.8731 -20.8722 -20.8722 -8.6406 -8.6406 -7.8241 -7.8241 -7.8197 -7.8197 -7.7110 -7.7110 -4.4754 -4.4754 -3.4547 -3.4547 -3.1402 -3.1402 -3.1364 -3.1364 -2.7204 -2.7204 -1.8069 -1.8069 -1.6665 -1.6665 -1.6652 -1.6652 -1.6035 -1.6035 -1.6022 -1.6022 -1.2744 -1.2744 -1.0647 -1.0647 4.1435 4.1435 4.3139 4.3139 4.7548 4.7548 4.9654 4.9654 4.9703 4.9703 k = 0.0000 0.0000 0.0663 ( 7465 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2754 -21.2754 -21.2705 -21.2705 -20.9100 -20.9100 -20.9072 -20.9072 -20.8732 -20.8732 -20.8723 -20.8723 -8.6368 -8.6368 -7.8231 -7.8231 -7.8188 -7.8188 -7.7107 -7.7107 -4.4713 -4.4713 -3.4546 -3.4546 -3.1407 -3.1407 -3.1369 -3.1369 -2.7172 -2.7172 -1.8213 -1.8213 -1.6850 -1.6850 -1.6836 -1.6836 -1.5912 -1.5912 -1.5900 -1.5900 -1.2706 -1.2706 -1.0761 -1.0761 4.1536 4.1536 4.3234 4.3234 4.7544 4.7544 4.9651 4.9651 4.9701 4.9701 k = 0.0000 0.0000 0.0884 ( 7465 PWs) bands (ev): -40.0461 -40.0461 -40.0459 -40.0459 -21.2755 -21.2755 -21.2706 -21.2706 -20.9101 -20.9101 -20.9073 -20.9073 -20.8734 -20.8734 -20.8723 -20.8723 -8.6315 -8.6315 -7.8219 -7.8219 -7.8176 -7.8176 -7.7103 -7.7103 -4.4656 -4.4656 -3.4545 -3.4545 -3.1413 -3.1413 -3.1376 -3.1376 -2.7127 -2.7127 -1.8408 -1.8408 -1.7046 -1.7046 -1.7031 -1.7031 -1.5803 -1.5803 -1.5791 -1.5791 -1.2658 -1.2658 -1.0919 -1.0919 4.1677 4.1677 4.3365 4.3365 4.7537 4.7537 4.9649 4.9649 4.9698 4.9698 k = 0.0000 0.0000 0.1105 ( 7457 PWs) bands (ev): -40.0460 -40.0460 -40.0458 -40.0458 -21.2756 -21.2756 -21.2707 -21.2707 -20.9102 -20.9102 -20.9075 -20.9075 -20.8735 -20.8735 -20.8725 -20.8725 -8.6247 -8.6247 -7.8203 -7.8203 -7.8160 -7.8160 -7.7099 -7.7099 -4.4584 -4.4584 -3.4544 -3.4544 -3.1421 -3.1421 -3.1385 -3.1385 -2.7070 -2.7070 -1.8647 -1.8647 -1.7251 -1.7251 -1.7235 -1.7235 -1.5707 -1.5707 -1.5696 -1.5696 -1.2606 -1.2606 -1.1119 -1.1119 4.1856 4.1856 4.3533 4.3533 4.7529 4.7529 4.9648 4.9648 4.9696 4.9696 k = 0.0000 0.0000 0.1326 ( 7457 PWs) bands (ev): -40.0460 -40.0460 -40.0458 -40.0458 -21.2757 -21.2757 -21.2709 -21.2709 -20.9103 -20.9103 -20.9077 -20.9077 -20.8737 -20.8737 -20.8726 -20.8726 -8.6164 -8.6164 -7.8184 -7.8184 -7.8142 -7.8142 -7.7094 -7.7094 -4.4495 -4.4495 -3.4544 -3.4544 -3.1431 -3.1431 -3.1395 -3.1395 -2.7001 -2.7001 -1.8923 -1.8923 -1.7465 -1.7465 -1.7449 -1.7449 -1.5624 -1.5624 -1.5614 -1.5614 -1.2555 -1.2555 -1.1359 -1.1359 4.2071 4.2071 4.3734 4.3734 4.7518 4.7518 4.9648 4.9648 4.9696 4.9696 k = 0.0000 0.0000 0.1547 ( 7458 PWs) bands (ev): -40.0460 -40.0460 -40.0458 -40.0458 -21.2759 -21.2759 -21.2711 -21.2711 -20.9105 -20.9105 -20.9080 -20.9080 -20.8739 -20.8739 -20.8727 -20.8727 -8.6068 -8.6068 -7.8162 -7.8162 -7.8120 -7.8120 -7.7089 -7.7089 -4.4391 -4.4391 -3.4544 -3.4544 -3.1443 -3.1443 -3.1408 -3.1408 -2.6919 -2.6919 -1.9231 -1.9231 -1.7687 -1.7687 -1.7669 -1.7669 -1.5556 -1.5556 -1.5546 -1.5546 -1.2508 -1.2508 -1.1636 -1.1636 4.2320 4.2320 4.3967 4.3967 4.7506 4.7506 4.9650 4.9650 4.9698 4.9698 k = 0.0000 0.0000 0.1768 ( 7470 PWs) bands (ev): -40.0460 -40.0460 -40.0458 -40.0458 -21.2760 -21.2760 -21.2713 -21.2713 -20.9106 -20.9106 -20.9083 -20.9083 -20.8742 -20.8742 -20.8729 -20.8729 -8.5957 -8.5957 -7.8137 -7.8137 -7.8096 -7.8096 -7.7084 -7.7084 -4.4272 -4.4272 -3.4546 -3.4546 -3.1456 -3.1456 -3.1423 -3.1423 -2.6825 -2.6825 -1.9565 -1.9565 -1.7915 -1.7915 -1.7897 -1.7897 -1.5500 -1.5500 -1.5492 -1.5492 -1.2471 -1.2471 -1.1948 -1.1948 4.2602 4.2602 4.4231 4.4231 4.7492 4.7492 4.9656 4.9656 4.9704 4.9704 k = 0.0000 0.0000 0.1989 ( 7466 PWs) bands (ev): -40.0459 -40.0459 -40.0458 -40.0458 -21.2762 -21.2762 -21.2716 -21.2716 -20.9108 -20.9108 -20.9086 -20.9086 -20.8744 -20.8744 -20.8731 -20.8731 -8.5832 -8.5832 -7.8110 -7.8110 -7.8069 -7.8069 -7.7080 -7.7080 -4.4138 -4.4138 -3.4550 -3.4550 -3.1471 -3.1471 -3.1439 -3.1439 -2.6718 -2.6718 -1.9919 -1.9919 -1.8148 -1.8148 -1.8129 -1.8129 -1.5458 -1.5458 -1.5450 -1.5450 -1.2445 -1.2445 -1.2292 -1.2292 4.2913 4.2913 4.4524 4.4524 4.7476 4.7476 4.9666 4.9666 4.9713 4.9713 k = 0.0000 0.0000 0.2210 ( 7462 PWs) bands (ev): -40.0459 -40.0459 -40.0457 -40.0457 -21.2764 -21.2764 -21.2718 -21.2718 -20.9110 -20.9110 -20.9090 -20.9090 -20.8747 -20.8747 -20.8733 -20.8733 -8.5694 -8.5694 -7.8079 -7.8079 -7.8039 -7.8039 -7.7078 -7.7078 -4.3990 -4.3990 -3.4557 -3.4557 -3.1487 -3.1487 -3.1457 -3.1457 -2.6601 -2.6601 -2.0288 -2.0288 -1.8386 -1.8386 -1.8366 -1.8366 -1.5428 -1.5428 -1.5420 -1.5420 -1.2665 -1.2665 -1.2434 -1.2434 4.3252 4.3252 4.4844 4.4844 4.7460 4.7460 4.9681 4.9681 4.9728 4.9728 k = 0.0000 0.0000 0.2431 ( 7474 PWs) bands (ev): -40.0458 -40.0458 -40.0457 -40.0457 -21.2767 -21.2767 -21.2721 -21.2721 -20.9113 -20.9113 -20.9095 -20.9095 -20.8750 -20.8750 -20.8735 -20.8735 -8.5543 -8.5543 -7.8046 -7.8046 -7.8007 -7.8007 -7.7078 -7.7078 -4.3828 -4.3828 -3.4566 -3.4566 -3.1506 -3.1506 -3.1477 -3.1477 -2.6472 -2.6472 -2.0668 -2.0668 -1.8626 -1.8626 -1.8605 -1.8605 -1.5410 -1.5410 -1.5403 -1.5403 -1.3062 -1.3062 -1.2438 -1.2438 4.3615 4.3615 4.5189 4.5189 4.7443 4.7443 4.9700 4.9700 4.9746 4.9746 k = 0.0000 0.0000 0.2652 ( 7474 PWs) bands (ev): -40.0458 -40.0458 -40.0457 -40.0457 -21.2769 -21.2769 -21.2725 -21.2725 -20.9116 -20.9116 -20.9099 -20.9099 -20.8752 -20.8752 -20.8737 -20.8737 -8.5379 -8.5379 -7.8011 -7.8011 -7.7973 -7.7973 -7.7080 -7.7080 -4.3652 -4.3652 -3.4580 -3.4580 -3.1526 -3.1526 -3.1498 -3.1498 -2.6333 -2.6333 -2.1055 -2.1055 -1.8869 -1.8869 -1.8847 -1.8847 -1.5403 -1.5403 -1.5396 -1.5396 -1.3481 -1.3481 -1.2460 -1.2460 4.3999 4.3999 4.5556 4.5556 4.7428 4.7428 4.9724 4.9724 4.9769 4.9769 k = 0.0000 0.0000 0.2873 ( 7474 PWs) bands (ev): -40.0457 -40.0457 -40.0456 -40.0456 -21.2771 -21.2771 -21.2728 -21.2728 -20.9119 -20.9119 -20.9104 -20.9104 -20.8755 -20.8755 -20.8739 -20.8739 -8.5204 -8.5204 -7.7974 -7.7974 -7.7937 -7.7937 -7.7086 -7.7086 -4.3463 -4.3463 -3.4598 -3.4598 -3.1547 -3.1547 -3.1521 -3.1521 -2.6183 -2.6183 -2.1445 -2.1445 -1.9112 -1.9112 -1.9089 -1.9089 -1.5406 -1.5406 -1.5400 -1.5400 -1.3917 -1.3917 -1.2500 -1.2500 4.4400 4.4400 4.5945 4.5945 4.7416 4.7416 4.9752 4.9752 4.9796 4.9796 k = 0.0000 0.0000 0.3094 ( 7474 PWs) bands (ev): -40.0457 -40.0457 -40.0456 -40.0456 -21.2773 -21.2773 -21.2732 -21.2732 -20.9122 -20.9122 -20.9109 -20.9109 -20.8758 -20.8758 -20.8741 -20.8741 -8.5017 -8.5017 -7.7935 -7.7935 -7.7899 -7.7899 -7.7096 -7.7096 -4.3262 -4.3262 -3.4621 -3.4621 -3.1569 -3.1569 -3.1545 -3.1545 -2.6024 -2.6024 -2.1833 -2.1833 -1.9354 -1.9354 -1.9331 -1.9331 -1.5419 -1.5419 -1.5413 -1.5413 -1.4366 -1.4366 -1.2559 -1.2559 4.4814 4.4814 4.6352 4.6352 4.7410 4.7410 4.9783 4.9783 4.9827 4.9827 k = 0.0000 0.0000 0.3315 ( 7490 PWs) bands (ev): -40.0457 -40.0457 -40.0455 -40.0455 -21.2776 -21.2776 -21.2736 -21.2736 -20.9126 -20.9126 -20.9114 -20.9114 -20.8761 -20.8761 -20.8743 -20.8743 -8.4819 -8.4819 -7.7895 -7.7895 -7.7860 -7.7860 -7.7111 -7.7111 -4.3050 -4.3050 -3.4650 -3.4650 -3.1593 -3.1593 -3.1570 -3.1570 -2.5858 -2.5858 -2.2218 -2.2218 -1.9595 -1.9595 -1.9572 -1.9572 -1.5440 -1.5440 -1.5435 -1.5435 -1.4826 -1.4826 -1.2637 -1.2637 4.5234 4.5234 4.6776 4.6776 4.7415 4.7415 4.9818 4.9818 4.9860 4.9860 k = 0.0000 0.0000 0.3536 ( 7498 PWs) bands (ev): -40.0456 -40.0456 -40.0455 -40.0455 -21.2779 -21.2779 -21.2740 -21.2740 -20.9130 -20.9130 -20.9120 -20.9120 -20.8763 -20.8763 -20.8745 -20.8745 -8.4610 -8.4610 -7.7854 -7.7854 -7.7820 -7.7820 -7.7131 -7.7131 -4.2827 -4.2827 -3.4686 -3.4686 -3.1618 -3.1618 -3.1597 -3.1597 -2.5684 -2.5684 -2.2596 -2.2596 -1.9834 -1.9834 -1.9810 -1.9810 -1.5469 -1.5469 -1.5463 -1.5463 -1.5290 -1.5290 -1.2735 -1.2735 4.5650 4.5650 4.7215 4.7215 4.7441 4.7441 4.9854 4.9854 4.9894 4.9894 k = 0.0000 0.0000 0.3757 ( 7514 PWs) bands (ev): -40.0456 -40.0456 -40.0454 -40.0454 -21.2781 -21.2781 -21.2745 -21.2745 -20.9134 -20.9134 -20.9126 -20.9126 -20.8766 -20.8766 -20.8747 -20.8747 -8.4392 -8.4392 -7.7812 -7.7812 -7.7779 -7.7779 -7.7158 -7.7158 -4.2593 -4.2593 -3.4729 -3.4729 -3.1643 -3.1643 -3.1624 -3.1624 -2.5506 -2.5506 -2.2963 -2.2963 -2.0068 -2.0068 -2.0044 -2.0044 -1.5755 -1.5755 -1.5503 -1.5503 -1.5499 -1.5499 -1.2852 -1.2852 4.6044 4.6044 4.7503 4.7503 4.7666 4.7666 4.9891 4.9891 4.9930 4.9930 k = 0.0000 0.0000 0.3978 ( 7506 PWs) bands (ev): -40.0455 -40.0455 -40.0454 -40.0454 -21.2784 -21.2784 -21.2749 -21.2749 -20.9139 -20.9139 -20.9131 -20.9131 -20.8768 -20.8768 -20.8749 -20.8749 -8.4165 -8.4165 -7.7769 -7.7769 -7.7738 -7.7738 -7.7192 -7.7192 -4.2350 -4.2350 -3.4779 -3.4779 -3.1669 -3.1669 -3.1652 -3.1652 -2.5324 -2.5324 -2.3317 -2.3317 -2.0298 -2.0298 -2.0273 -2.0273 -1.6216 -1.6216 -1.5544 -1.5544 -1.5539 -1.5539 -1.2987 -1.2987 4.6386 4.6386 4.7633 4.7633 4.8126 4.8126 4.9928 4.9928 4.9965 4.9965 k = 0.0000 0.0000 0.4199 ( 7506 PWs) bands (ev): -40.0455 -40.0455 -40.0454 -40.0454 -21.2786 -21.2786 -21.2753 -21.2753 -20.9143 -20.9143 -20.9137 -20.9137 -20.8770 -20.8770 -20.8750 -20.8750 -8.3930 -8.3930 -7.7727 -7.7727 -7.7696 -7.7696 -7.7233 -7.7233 -4.2098 -4.2098 -3.4838 -3.4838 -3.1696 -3.1696 -3.1681 -3.1681 -2.5142 -2.5142 -2.3656 -2.3656 -2.0521 -2.0521 -2.0496 -2.0496 -1.6668 -1.6668 -1.5588 -1.5588 -1.5584 -1.5584 -1.3142 -1.3142 4.6641 4.6641 4.7864 4.7864 4.8592 4.8592 4.9964 4.9964 4.9999 4.9999 k = 0.0000 0.0000 0.4420 ( 7522 PWs) bands (ev): -40.0454 -40.0454 -40.0453 -40.0453 -21.2789 -21.2789 -21.2757 -21.2757 -20.9148 -20.9148 -20.9143 -20.9143 -20.8772 -20.8772 -20.8752 -20.8752 -8.3687 -8.3687 -7.7685 -7.7685 -7.7656 -7.7656 -7.7283 -7.7283 -4.1838 -4.1838 -3.4906 -3.4906 -3.1724 -3.1724 -3.1710 -3.1710 -2.4963 -2.4963 -2.3976 -2.3976 -2.0738 -2.0738 -2.0713 -2.0713 -1.7104 -1.7104 -1.5636 -1.5636 -1.5633 -1.5633 -1.3314 -1.3314 4.6800 4.6800 4.8201 4.8201 4.9059 4.9059 4.9998 4.9998 5.0031 5.0031 k = 0.0000 0.0000 0.4641 ( 7518 PWs) bands (ev): -40.0454 -40.0454 -40.0453 -40.0453 -21.2791 -21.2791 -21.2762 -21.2762 -20.9153 -20.9153 -20.9149 -20.9149 -20.8773 -20.8773 -20.8754 -20.8754 -8.3438 -8.3438 -7.7643 -7.7643 -7.7615 -7.7615 -7.7341 -7.7341 -4.1572 -4.1572 -3.4983 -3.4983 -3.1751 -3.1751 -3.1738 -3.1738 -2.4792 -2.4792 -2.4277 -2.4277 -2.0946 -2.0946 -2.0921 -2.0921 -1.7518 -1.7518 -1.5686 -1.5686 -1.5683 -1.5683 -1.3503 -1.3503 4.6898 4.6898 4.8614 4.8614 4.9519 4.9519 5.0030 5.0030 5.0060 5.0060 k = 0.0000 0.0000 0.4861 ( 7518 PWs) bands (ev): -40.0453 -40.0453 -40.0452 -40.0452 -21.2793 -21.2793 -21.2766 -21.2766 -20.9157 -20.9157 -20.9154 -20.9154 -20.8774 -20.8774 -20.8755 -20.8755 -8.3183 -8.3183 -7.7602 -7.7602 -7.7576 -7.7576 -7.7409 -7.7409 -4.1299 -4.1299 -3.5070 -3.5070 -3.1778 -3.1778 -3.1767 -3.1767 -2.4633 -2.4633 -2.4555 -2.4555 -2.1145 -2.1145 -2.1121 -2.1121 -1.7904 -1.7904 -1.5738 -1.5738 -1.5735 -1.5735 -1.3709 -1.3709 4.6965 4.6965 4.9067 4.9067 4.9957 4.9957 5.0060 5.0060 5.0089 5.0089 k = 0.0000 0.0000 0.5082 ( 7506 PWs) bands (ev): -40.0453 -40.0453 -40.0452 -40.0452 -21.2796 -21.2796 -21.2770 -21.2770 -20.9162 -20.9162 -20.9160 -20.9160 -20.8774 -20.8774 -20.8757 -20.8757 -8.2923 -8.2923 -7.7564 -7.7564 -7.7537 -7.7537 -7.7486 -7.7486 -4.1021 -4.1021 -3.5167 -3.5167 -3.1804 -3.1804 -3.1795 -3.1795 -2.4809 -2.4809 -2.4493 -2.4493 -2.1335 -2.1335 -2.1311 -2.1311 -1.8252 -1.8252 -1.5790 -1.5790 -1.5787 -1.5787 -1.3930 -1.3930 4.7022 4.7022 4.9540 4.9540 5.0089 5.0089 5.0107 5.0107 5.0359 5.0359 k = 0.0000 0.0000 0.5303 ( 7498 PWs) bands (ev): -40.0452 -40.0452 -40.0451 -40.0451 -21.2798 -21.2798 -21.2774 -21.2774 -20.9166 -20.9166 -20.9165 -20.9165 -20.8775 -20.8775 -20.8758 -20.8758 -8.2659 -8.2659 -7.7582 -7.7582 -7.7518 -7.7518 -7.7500 -7.7500 -4.0739 -4.0739 -3.5275 -3.5275 -3.1831 -3.1831 -3.1823 -3.1823 -2.5037 -2.5037 -2.4380 -2.4380 -2.1514 -2.1514 -2.1491 -2.1491 -1.8553 -1.8553 -1.5841 -1.5841 -1.5839 -1.5839 -1.4166 -1.4166 4.7078 4.7078 4.9997 4.9997 5.0127 5.0127 5.0142 5.0142 5.0675 5.0675 k = 0.0000 0.0000 0.5524 ( 7502 PWs) bands (ev): -40.0452 -40.0452 -40.0451 -40.0451 -21.2800 -21.2800 -21.2778 -21.2778 -20.9171 -20.9171 -20.9170 -20.9170 -20.8776 -20.8776 -20.8759 -20.8759 -8.2393 -8.2393 -7.7680 -7.7680 -7.7484 -7.7484 -7.7465 -7.7465 -4.0455 -4.0455 -3.5394 -3.5394 -3.1856 -3.1856 -3.1849 -3.1849 -2.5237 -2.5237 -2.4301 -2.4301 -2.1682 -2.1682 -2.1660 -2.1660 -1.8798 -1.8798 -1.5892 -1.5892 -1.5889 -1.5889 -1.4416 -1.4416 4.7140 4.7140 5.0110 5.0110 5.0142 5.0142 5.0542 5.0542 5.0855 5.0855 k = 0.0000 0.0000 0.5745 ( 7510 PWs) bands (ev): -40.0451 -40.0451 -40.0451 -40.0451 -21.2802 -21.2802 -21.2782 -21.2782 -20.9175 -20.9175 -20.9175 -20.9175 -20.8776 -20.8776 -20.8760 -20.8760 -8.2125 -8.2125 -7.7793 -7.7793 -7.7449 -7.7449 -7.7431 -7.7431 -4.0169 -4.0169 -3.5525 -3.5525 -3.1880 -3.1880 -3.1875 -3.1875 -2.5410 -2.5410 -2.4264 -2.4264 -2.1837 -2.1837 -2.1816 -2.1816 -1.8978 -1.8978 -1.5940 -1.5940 -1.5938 -1.5938 -1.4677 -1.4677 4.7209 4.7209 5.0129 5.0129 5.0153 5.0153 5.0871 5.0872 5.1031 5.1031 k = 0.0000 0.0000 0.5966 ( 7506 PWs) bands (ev): -40.0451 -40.0451 -40.0450 -40.0450 -21.2804 -21.2804 -21.2785 -21.2785 -20.9179 -20.9179 -20.9179 -20.9179 -20.8776 -20.8776 -20.8762 -20.8762 -8.1855 -8.1855 -7.7917 -7.7917 -7.7417 -7.7417 -7.7400 -7.7400 -3.9882 -3.9882 -3.5666 -3.5666 -3.1903 -3.1903 -3.1898 -3.1898 -2.5553 -2.5553 -2.4272 -2.4272 -2.1980 -2.1980 -2.1960 -2.1960 -1.9087 -1.9087 -1.5986 -1.5986 -1.5984 -1.5984 -1.4950 -1.4950 4.7289 4.7289 5.0142 5.0142 5.0162 5.0162 5.0756 5.0756 5.1523 5.1523 k = 0.0000 0.0000 0.6187 ( 7522 PWs) bands (ev): -40.0451 -40.0451 -40.0450 -40.0450 -21.2806 -21.2806 -21.2789 -21.2789 -20.9184 -20.9184 -20.9184 -20.9184 -20.8776 -20.8776 -20.8763 -20.8763 -8.1586 -8.1586 -7.8053 -7.8053 -7.7387 -7.7387 -7.7372 -7.7372 -3.9595 -3.9595 -3.5819 -3.5819 -3.1924 -3.1924 -3.1921 -3.1921 -2.5666 -2.5666 -2.4327 -2.4327 -2.2109 -2.2109 -2.2091 -2.2091 -1.9125 -1.9125 -1.6029 -1.6029 -1.6027 -1.6027 -1.5233 -1.5233 4.7382 4.7382 5.0151 5.0151 5.0166 5.0166 5.0562 5.0562 5.2011 5.2011 k = 0.0000 0.0000 0.6408 ( 7522 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2807 -21.2807 -21.2792 -21.2792 -20.9188 -20.9188 -20.9187 -20.9187 -20.8776 -20.8776 -20.8764 -20.8764 -8.1318 -8.1318 -7.8201 -7.8201 -7.7360 -7.7360 -7.7347 -7.7347 -3.9310 -3.9310 -3.5983 -3.5983 -3.1944 -3.1944 -3.1941 -3.1941 -2.5749 -2.5749 -2.4422 -2.4422 -2.2224 -2.2224 -2.2208 -2.2208 -1.9094 -1.9094 -1.6068 -1.6068 -1.6066 -1.6066 -1.5523 -1.5523 4.7487 4.7487 5.0158 5.0158 5.0163 5.0163 5.0335 5.0335 5.2493 5.2493 k = 0.0000 0.0000 0.6629 ( 7518 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2808 -21.2808 -21.2795 -21.2795 -20.9191 -20.9191 -20.9190 -20.9190 -20.8775 -20.8775 -20.8765 -20.8765 -8.1052 -8.1052 -7.8361 -7.8361 -7.7335 -7.7335 -7.7324 -7.7324 -3.9027 -3.9027 -3.6158 -3.6158 -3.1961 -3.1961 -3.1958 -3.1958 -2.5800 -2.5800 -2.4551 -2.4551 -2.2324 -2.2324 -2.2310 -2.2310 -1.9000 -1.9000 -1.6102 -1.6102 -1.6101 -1.6101 -1.5821 -1.5821 4.7606 4.7606 5.0059 5.0059 5.0163 5.0163 5.0192 5.0192 5.2966 5.2966 k = 0.0000 0.0000 0.6850 ( 7526 PWs) bands (ev): -40.0450 -40.0450 -40.0449 -40.0449 -21.2808 -21.2808 -21.2798 -21.2798 -20.9194 -20.9194 -20.9193 -20.9193 -20.8775 -20.8775 -20.8766 -20.8766 -8.0789 -8.0789 -7.8533 -7.8533 -7.7314 -7.7314 -7.7305 -7.7305 -3.8748 -3.8748 -3.6345 -3.6345 -3.1976 -3.1976 -3.1974 -3.1974 -2.5821 -2.5821 -2.4703 -2.4703 -2.2410 -2.2410 -2.2398 -2.2398 -1.8854 -1.8854 -1.6132 -1.6132 -1.6132 -1.6132 -1.6123 -1.6123 4.7740 4.7740 4.9812 4.9812 5.0166 5.0166 5.0182 5.0182 5.3426 5.3426 k = 0.0000 0.0000 0.7071 ( 7530 PWs) bands (ev): -40.0450 -40.0450 -40.0449 -40.0449 -21.2809 -21.2809 -21.2800 -21.2800 -20.9196 -20.9196 -20.9195 -20.9195 -20.8774 -20.8774 -20.8767 -20.8767 -8.0530 -8.0530 -7.8716 -7.8716 -7.7297 -7.7297 -7.7289 -7.7289 -3.8474 -3.8474 -3.6543 -3.6543 -3.1988 -3.1988 -3.1987 -3.1987 -2.5811 -2.5811 -2.4870 -2.4870 -2.2481 -2.2481 -2.2471 -2.2471 -1.8665 -1.8665 -1.6429 -1.6429 -1.6157 -1.6157 -1.6156 -1.6156 4.7888 4.7888 4.9560 4.9560 5.0169 5.0169 5.0180 5.0180 5.3871 5.3871 k = 0.0000 0.0000 0.7292 ( 7526 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2802 -21.2802 -20.9198 -20.9198 -20.9197 -20.9197 -20.8774 -20.8774 -20.8768 -20.8768 -8.0276 -8.0276 -7.8911 -7.8911 -7.7283 -7.7283 -7.7277 -7.7277 -3.8204 -3.8204 -3.6752 -3.6752 -3.1998 -3.1998 -3.1997 -3.1997 -2.5772 -2.5772 -2.5039 -2.5039 -2.2535 -2.2535 -2.2528 -2.2528 -1.8442 -1.8442 -1.6736 -1.6736 -1.6177 -1.6177 -1.6176 -1.6176 4.8051 4.8051 4.9312 4.9312 5.0171 5.0171 5.0179 5.0179 5.4294 5.4294 k = 0.0000 0.0000 0.7513 ( 7534 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2804 -21.2804 -20.9199 -20.9199 -20.9199 -20.9199 -20.8773 -20.8773 -20.8769 -20.8769 -8.0028 -8.0028 -7.9116 -7.9116 -7.7272 -7.7272 -7.7269 -7.7269 -3.7942 -3.7942 -3.6971 -3.6971 -3.2005 -3.2005 -3.2004 -3.2004 -2.5705 -2.5705 -2.5204 -2.5204 -2.2574 -2.2574 -2.2569 -2.2569 -1.8193 -1.8193 -1.7042 -1.7042 -1.6191 -1.6191 -1.6190 -1.6190 4.8228 4.8228 4.9072 4.9072 5.0172 5.0172 5.0177 5.0177 5.4690 5.4690 k = 0.0000 0.0000 0.7734 ( 7550 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2806 -21.2806 -20.9200 -20.9200 -20.9200 -20.9200 -20.8772 -20.8772 -20.8770 -20.8770 -7.9788 -7.9788 -7.9331 -7.9331 -7.7266 -7.7266 -7.7264 -7.7264 -3.7686 -3.7686 -3.7200 -3.7200 -3.2009 -3.2009 -3.2009 -3.2009 -2.5612 -2.5612 -2.5358 -2.5358 -2.2597 -2.2597 -2.2595 -2.2595 -1.7923 -1.7923 -1.7344 -1.7344 -1.6200 -1.6200 -1.6200 -1.6200 4.8420 4.8420 4.8842 4.8842 5.0173 5.0173 5.0176 5.0176 5.5045 5.5045 k = 0.0000 0.0000 0.7955 ( 7570 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2808 -21.2808 -20.9200 -20.9200 -20.9200 -20.9200 -20.8772 -20.8772 -20.8772 -20.8772 -7.9555 -7.9555 -7.9555 -7.9555 -7.7263 -7.7263 -7.7263 -7.7263 -3.7439 -3.7439 -3.7439 -3.7439 -3.2011 -3.2011 -3.2011 -3.2011 -2.5495 -2.5495 -2.5495 -2.5495 -2.2604 -2.2604 -2.2604 -2.2604 -1.7639 -1.7639 -1.7639 -1.7639 -1.6203 -1.6203 -1.6203 -1.6203 4.8624 4.8624 4.8624 4.8624 5.0174 5.0174 5.0174 5.0174 5.5339 5.5339 k = 0.0000 0.0000 0.7955 ( 7570 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2808 -21.2808 -20.9200 -20.9200 -20.9200 -20.9200 -20.8772 -20.8772 -20.8772 -20.8772 -7.9555 -7.9555 -7.9555 -7.9555 -7.7263 -7.7263 -7.7263 -7.7263 -3.7439 -3.7439 -3.7439 -3.7439 -3.2011 -3.2011 -3.2011 -3.2011 -2.5495 -2.5495 -2.5495 -2.5495 -2.2604 -2.2604 -2.2604 -2.2604 -1.7639 -1.7639 -1.7639 -1.7639 -1.6203 -1.6203 -1.6203 -1.6203 4.8624 4.8624 4.8624 4.8624 5.0174 5.0174 5.0174 5.0174 5.5339 5.5339 k = 0.0000 0.0217 0.7955 ( 7534 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2807 -21.2807 -20.9201 -20.9201 -20.9199 -20.9199 -20.8772 -20.8772 -20.8770 -20.8770 -7.9552 -7.9552 -7.9552 -7.9552 -7.7266 -7.7266 -7.7265 -7.7265 -3.7437 -3.7437 -3.7433 -3.7433 -3.2025 -3.2025 -3.2014 -3.2014 -2.5502 -2.5502 -2.5489 -2.5489 -2.2617 -2.2617 -2.2609 -2.2609 -1.7626 -1.7626 -1.7622 -1.7622 -1.6200 -1.6200 -1.6194 -1.6194 4.8560 4.8560 4.8585 4.8585 5.0201 5.0201 5.0226 5.0226 5.5342 5.5345 k = 0.0000 0.0435 0.7955 ( 7526 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2806 -21.2806 -20.9202 -20.9202 -20.9197 -20.9197 -20.8772 -20.8772 -20.8770 -20.8770 -7.9545 -7.9545 -7.9543 -7.9543 -7.7275 -7.7275 -7.7272 -7.7272 -3.7427 -3.7427 -3.7420 -3.7420 -3.2069 -3.2069 -3.2026 -3.2026 -2.5524 -2.5524 -2.5470 -2.5470 -2.2656 -2.2656 -2.2622 -2.2622 -1.7589 -1.7589 -1.7574 -1.7574 -1.6193 -1.6193 -1.6169 -1.6169 4.8399 4.8399 4.8461 4.8461 5.0295 5.0295 5.0340 5.0340 5.5348 5.5357 k = 0.0000 0.0652 0.7955 ( 7522 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2806 -21.2806 -20.9204 -20.9204 -20.9196 -20.9196 -20.8773 -20.8773 -20.8769 -20.8769 -7.9532 -7.9532 -7.9530 -7.9530 -7.7288 -7.7288 -7.7284 -7.7284 -3.7410 -3.7410 -3.7398 -3.7398 -3.2141 -3.2141 -3.2045 -3.2045 -2.5562 -2.5562 -2.5443 -2.5443 -2.2717 -2.2717 -2.2642 -2.2642 -1.7528 -1.7528 -1.7501 -1.7501 -1.6183 -1.6183 -1.6126 -1.6126 4.8169 4.8169 4.8282 4.8282 5.0430 5.0430 5.0489 5.0489 5.5361 5.5379 k = 0.0000 0.0870 0.7955 ( 7522 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2805 -21.2805 -20.9205 -20.9205 -20.9195 -20.9195 -20.8774 -20.8774 -20.8768 -20.8768 -7.9515 -7.9515 -7.9511 -7.9511 -7.7308 -7.7308 -7.7302 -7.7302 -3.7387 -3.7387 -3.7369 -3.7369 -3.2238 -3.2238 -3.2072 -3.2072 -2.5613 -2.5613 -2.5408 -2.5408 -2.2795 -2.2795 -2.2667 -2.2667 -1.7447 -1.7447 -1.7411 -1.7411 -1.6167 -1.6167 -1.6062 -1.6062 4.7894 4.7894 4.8068 4.8068 5.0586 5.0586 5.0651 5.0651 5.5376 5.5400 k = 0.0000 0.1087 0.7955 ( 7510 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2804 -21.2804 -20.9206 -20.9206 -20.9194 -20.9194 -20.8774 -20.8774 -20.8767 -20.8767 -7.9492 -7.9492 -7.9487 -7.9487 -7.7331 -7.7331 -7.7325 -7.7325 -3.7357 -3.7357 -3.7331 -3.7331 -3.2357 -3.2357 -3.2106 -3.2106 -2.5679 -2.5679 -2.5370 -2.5370 -2.2883 -2.2883 -2.2692 -2.2692 -1.7349 -1.7349 -1.7313 -1.7313 -1.6146 -1.6146 -1.5974 -1.5974 4.7591 4.7591 4.7832 4.7832 5.0747 5.0747 5.0816 5.0816 5.5401 5.5443 k = 0.0000 0.1304 0.7955 ( 7506 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2804 -21.2804 -20.9207 -20.9207 -20.9192 -20.9192 -20.8775 -20.8775 -20.8767 -20.8767 -7.9465 -7.9465 -7.9458 -7.9458 -7.7361 -7.7361 -7.7353 -7.7353 -3.7320 -3.7320 -3.7286 -3.7286 -3.2496 -3.2496 -3.2148 -3.2148 -2.5759 -2.5759 -2.5333 -2.5333 -2.2977 -2.2977 -2.2716 -2.2716 -1.7236 -1.7236 -1.7216 -1.7216 -1.6121 -1.6121 -1.5859 -1.5859 4.7269 4.7269 4.7584 4.7584 5.0905 5.0905 5.0977 5.0977 5.5419 5.5484 k = 0.0000 0.1522 0.7955 ( 7506 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2804 -21.2804 -20.9208 -20.9208 -20.9191 -20.9191 -20.8775 -20.8775 -20.8766 -20.8766 -7.9433 -7.9433 -7.9424 -7.9424 -7.7395 -7.7395 -7.7385 -7.7385 -3.7276 -3.7276 -3.7233 -3.7233 -3.2652 -3.2652 -3.2197 -3.2197 -2.5851 -2.5851 -2.5300 -2.5300 -2.3071 -2.3071 -2.2735 -2.2735 -1.7128 -1.7128 -1.7112 -1.7112 -1.6089 -1.6089 -1.5717 -1.5717 4.6937 4.6937 4.7328 4.7328 5.1055 5.1055 5.1132 5.1132 5.5443 5.5459 k = 0.0000 0.1739 0.7955 ( 7506 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9209 -20.9209 -20.9190 -20.9190 -20.8776 -20.8776 -20.8765 -20.8765 -7.9397 -7.9397 -7.9386 -7.9386 -7.7433 -7.7433 -7.7423 -7.7423 -3.7226 -3.7226 -3.7174 -3.7174 -3.2820 -3.2820 -3.2253 -3.2253 -2.5955 -2.5955 -2.5276 -2.5276 -2.3161 -2.3161 -2.2745 -2.2745 -1.7052 -1.7052 -1.6983 -1.6983 -1.6051 -1.6051 -1.5551 -1.5551 4.6600 4.6600 4.7070 4.7070 5.1192 5.1192 5.1280 5.1280 5.5481 5.5536 k = 0.0000 0.1957 0.7955 ( 7510 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9210 -20.9210 -20.9189 -20.9189 -20.8777 -20.8777 -20.8765 -20.8765 -7.9356 -7.9356 -7.9343 -7.9343 -7.7477 -7.7477 -7.7465 -7.7465 -3.7169 -3.7169 -3.7108 -3.7108 -3.2999 -3.2999 -3.2316 -3.2316 -2.6066 -2.6066 -2.5262 -2.5262 -2.3246 -2.3246 -2.2746 -2.2746 -1.6988 -1.6988 -1.6851 -1.6851 -1.6006 -1.6006 -1.5365 -1.5365 4.6262 4.6262 4.6814 4.6814 5.1317 5.1317 5.1422 5.1422 5.5501 5.5558 k = 0.0000 0.2174 0.7955 ( 7502 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9211 -20.9211 -20.9188 -20.9188 -20.8777 -20.8777 -20.8764 -20.8764 -7.9311 -7.9311 -7.9296 -7.9296 -7.7524 -7.7524 -7.7511 -7.7511 -3.7106 -3.7106 -3.7035 -3.7035 -3.3186 -3.3186 -3.2385 -3.2385 -2.6184 -2.6184 -2.5260 -2.5260 -2.3323 -2.3323 -2.2736 -2.2736 -1.6935 -1.6935 -1.6722 -1.6722 -1.5952 -1.5952 -1.5166 -1.5166 4.5928 4.5928 4.6561 4.6561 5.1429 5.1429 5.1555 5.1555 5.5530 5.5532 k = 0.0000 0.2391 0.7955 ( 7504 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9212 -20.9212 -20.9187 -20.9187 -20.8778 -20.8778 -20.8764 -20.8764 -7.9262 -7.9262 -7.9244 -7.9244 -7.7575 -7.7575 -7.7561 -7.7561 -3.7036 -3.7036 -3.6958 -3.6958 -3.3378 -3.3378 -3.2461 -3.2461 -2.6305 -2.6305 -2.5269 -2.5269 -2.3393 -2.3393 -2.2717 -2.2717 -1.6892 -1.6892 -1.6600 -1.6600 -1.5889 -1.5889 -1.4959 -1.4959 4.5602 4.5602 4.6314 4.6314 5.1529 5.1529 5.1680 5.1680 5.5559 5.5600 k = 0.0000 0.2609 0.7955 ( 7506 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9213 -20.9213 -20.9186 -20.9186 -20.8778 -20.8778 -20.8763 -20.8763 -7.9210 -7.9210 -7.9189 -7.9189 -7.7630 -7.7630 -7.7616 -7.7616 -3.6960 -3.6960 -3.6877 -3.6877 -3.3572 -3.3572 -3.2541 -3.2541 -2.6427 -2.6427 -2.5288 -2.5288 -2.3454 -2.3454 -2.2689 -2.2689 -1.6856 -1.6856 -1.6489 -1.6489 -1.5815 -1.5815 -1.4751 -1.4751 4.5288 4.5288 4.6077 4.6077 5.1618 5.1618 5.1794 5.1794 5.5589 5.5593 k = 0.0000 0.2826 0.7955 ( 7498 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2813 -21.2813 -21.2801 -21.2801 -20.9214 -20.9214 -20.9186 -20.9186 -20.8778 -20.8778 -20.8763 -20.8763 -7.9155 -7.9155 -7.9130 -7.9130 -7.7688 -7.7688 -7.7673 -7.7673 -3.6878 -3.6878 -3.6792 -3.6792 -3.3768 -3.3768 -3.2625 -3.2625 -2.6546 -2.6546 -2.5315 -2.5315 -2.3507 -2.3507 -2.2655 -2.2655 -1.6826 -1.6826 -1.6391 -1.6391 -1.5732 -1.5732 -1.4547 -1.4547 4.4988 4.4988 4.5851 4.5851 5.1696 5.1696 5.1898 5.1898 5.5619 5.5623 k = 0.0000 0.3043 0.7955 ( 7496 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2813 -21.2813 -21.2801 -21.2801 -20.9215 -20.9215 -20.9185 -20.9185 -20.8779 -20.8779 -20.8762 -20.8762 -7.9096 -7.9096 -7.9068 -7.9068 -7.7750 -7.7750 -7.7733 -7.7733 -3.6789 -3.6789 -3.6705 -3.6705 -3.3964 -3.3964 -3.2712 -3.2712 -2.6661 -2.6661 -2.5348 -2.5348 -2.3553 -2.3553 -2.2618 -2.2618 -1.6801 -1.6801 -1.6306 -1.6306 -1.5642 -1.5642 -1.4351 -1.4351 4.4706 4.4706 4.5639 4.5639 5.1765 5.1765 5.1992 5.1992 5.5645 5.5650 k = 0.0000 0.3261 0.7955 ( 7504 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2813 -21.2813 -21.2801 -21.2801 -20.9216 -20.9216 -20.9184 -20.9184 -20.8779 -20.8779 -20.8762 -20.8762 -7.9035 -7.9035 -7.9003 -7.9003 -7.7814 -7.7814 -7.7797 -7.7797 -3.6696 -3.6696 -3.6618 -3.6618 -3.4157 -3.4157 -3.2800 -3.2800 -2.6768 -2.6768 -2.5385 -2.5385 -2.3593 -2.3593 -2.2578 -2.2578 -1.6780 -1.6780 -1.6235 -1.6235 -1.5548 -1.5548 -1.4166 -1.4166 4.4446 4.4446 4.5443 4.5443 5.1824 5.1824 5.2075 5.2075 5.5671 5.5672 k = 0.0000 0.3478 0.7955 ( 7518 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2814 -21.2814 -21.2801 -21.2801 -20.9216 -20.9216 -20.9184 -20.9184 -20.8780 -20.8780 -20.8762 -20.8762 -7.8972 -7.8972 -7.8935 -7.8935 -7.7882 -7.7882 -7.7863 -7.7863 -3.6597 -3.6597 -3.6531 -3.6531 -3.4347 -3.4347 -3.2887 -3.2887 -2.6867 -2.6867 -2.5423 -2.5423 -2.3626 -2.3626 -2.2540 -2.2540 -1.6763 -1.6763 -1.6176 -1.6176 -1.5455 -1.5455 -1.3996 -1.3996 4.4209 4.4209 4.5265 4.5265 5.1875 5.1875 5.2148 5.2148 5.5695 5.5695 k = 0.0000 0.3696 0.7955 ( 7518 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2814 -21.2814 -21.2800 -21.2800 -20.9217 -20.9217 -20.9183 -20.9183 -20.8780 -20.8780 -20.8761 -20.8761 -7.8907 -7.8907 -7.8865 -7.8865 -7.7951 -7.7951 -7.7929 -7.7929 -3.6496 -3.6496 -3.6444 -3.6444 -3.4531 -3.4531 -3.2971 -3.2971 -2.6955 -2.6955 -2.5459 -2.5459 -2.3654 -2.3654 -2.2503 -2.2503 -1.6748 -1.6748 -1.6127 -1.6127 -1.5366 -1.5366 -1.3843 -1.3843 4.3999 4.3999 4.5107 4.5107 5.1918 5.1918 5.2211 5.2211 5.5716 5.5717 k = 0.0000 0.3913 0.7955 ( 7536 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2801 -21.2801 -20.9218 -20.9218 -20.9183 -20.9183 -20.8781 -20.8781 -20.8761 -20.8761 -7.8842 -7.8842 -7.8793 -7.8793 -7.8023 -7.8023 -7.7997 -7.7997 -3.6401 -3.6401 -3.6353 -3.6353 -3.4710 -3.4710 -3.3050 -3.3050 -2.7031 -2.7031 -2.5493 -2.5493 -2.3677 -2.3677 -2.2470 -2.2470 -1.6736 -1.6736 -1.6086 -1.6086 -1.5285 -1.5285 -1.3711 -1.3711 4.3816 4.3816 4.4969 4.4969 5.1954 5.1954 5.2264 5.2264 5.5735 5.5735 k = 0.0000 0.4130 0.7955 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8777 -7.8777 -7.8719 -7.8719 -7.8095 -7.8095 -7.8063 -7.8063 -3.6324 -3.6324 -3.6250 -3.6250 -3.4879 -3.4879 -3.3119 -3.3119 -2.7095 -2.7095 -2.5523 -2.5523 -2.3695 -2.3695 -2.2442 -2.2442 -1.6726 -1.6726 -1.6053 -1.6053 -1.5216 -1.5216 -1.3599 -1.3599 4.3665 4.3665 4.4855 4.4855 5.1983 5.1983 5.2308 5.2308 5.5751 5.5758 k = 0.0000 0.4348 0.7955 ( 7536 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8715 -7.8715 -7.8645 -7.8645 -7.8169 -7.8169 -7.8127 -7.8127 -3.6264 -3.6264 -3.6141 -3.6141 -3.5037 -3.5037 -3.3178 -3.3178 -2.7145 -2.7145 -2.5547 -2.5547 -2.3709 -2.3709 -2.2419 -2.2419 -1.6718 -1.6718 -1.6028 -1.6028 -1.5160 -1.5160 -1.3512 -1.3512 4.3545 4.3545 4.4765 4.4765 5.2004 5.2004 5.2341 5.2341 5.5762 5.5765 k = 0.0000 0.4565 0.7955 ( 7532 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8660 -7.8660 -7.8571 -7.8571 -7.8242 -7.8242 -7.8183 -7.8183 -3.6220 -3.6220 -3.6036 -3.6036 -3.5175 -3.5175 -3.3222 -3.3222 -2.7181 -2.7181 -2.5565 -2.5565 -2.3719 -2.3719 -2.2403 -2.2403 -1.6713 -1.6713 -1.6010 -1.6010 -1.5118 -1.5118 -1.3448 -1.3448 4.3459 4.3459 4.4700 4.4700 5.2020 5.2020 5.2365 5.2365 5.5772 5.5780 k = 0.0000 0.4783 0.7955 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8619 -7.8619 -7.8502 -7.8502 -7.8311 -7.8311 -7.8224 -7.8224 -3.6192 -3.6192 -3.5952 -3.5952 -3.5279 -3.5279 -3.3250 -3.3250 -2.7202 -2.7202 -2.5576 -2.5576 -2.3725 -2.3725 -2.2392 -2.2392 -1.6709 -1.6709 -1.6000 -1.6000 -1.5093 -1.5093 -1.3409 -1.3409 4.3407 4.3407 4.4661 4.4661 5.2029 5.2029 5.2379 5.2379 5.5777 5.5783 k = 0.0000 0.5000 0.7955 ( 7520 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8603 -7.8603 -7.8462 -7.8462 -7.8351 -7.8351 -7.8240 -7.8240 -3.6183 -3.6183 -3.5917 -3.5917 -3.5320 -3.5320 -3.3259 -3.3259 -2.7210 -2.7210 -2.5580 -2.5580 -2.3727 -2.3727 -2.2389 -2.2389 -1.6708 -1.6708 -1.5996 -1.5996 -1.5084 -1.5084 -1.3396 -1.3396 4.3389 4.3389 4.4648 4.4648 5.2032 5.2032 5.2384 5.2384 5.5779 5.5780 k = 0.0000 0.5000 0.7955 ( 7520 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8603 -7.8603 -7.8462 -7.8462 -7.8351 -7.8351 -7.8240 -7.8240 -3.6183 -3.6183 -3.5917 -3.5917 -3.5320 -3.5320 -3.3259 -3.3259 -2.7210 -2.7210 -2.5580 -2.5580 -2.3727 -2.3727 -2.2389 -2.2389 -1.6708 -1.6708 -1.5996 -1.5996 -1.5084 -1.5084 -1.3396 -1.3396 4.3389 4.3389 4.4648 4.4648 5.2032 5.2032 5.2384 5.2384 5.5779 5.5779 k = 0.0217 0.5000 0.7955 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8608 -7.8608 -7.8477 -7.8477 -7.8335 -7.8335 -7.8235 -7.8235 -3.6210 -3.6210 -3.6000 -3.6000 -3.5237 -3.5237 -3.3240 -3.3240 -2.7210 -2.7210 -2.5585 -2.5585 -2.3725 -2.3725 -2.2394 -2.2394 -1.6702 -1.6702 -1.5999 -1.5999 -1.5066 -1.5066 -1.3393 -1.3393 4.3399 4.3399 4.4654 4.4654 5.2024 5.2024 5.2372 5.2372 5.5779 5.5787 k = 0.0435 0.5000 0.7955 ( 7536 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8621 -7.8621 -7.8509 -7.8509 -7.8301 -7.8301 -7.8220 -7.8220 -3.6286 -3.6286 -3.6178 -3.6178 -3.5057 -3.5057 -3.3186 -3.3186 -2.7209 -2.7209 -2.5601 -2.5601 -2.3719 -2.3719 -2.2410 -2.2410 -1.6683 -1.6683 -1.6008 -1.6008 -1.5012 -1.5012 -1.3383 -1.3383 4.3429 4.3429 4.4672 4.4672 5.1998 5.1998 5.2335 5.2335 5.5777 5.5778 k = 0.0652 0.5000 0.7955 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8640 -7.8640 -7.8545 -7.8545 -7.8261 -7.8261 -7.8196 -7.8196 -3.6419 -3.6419 -3.6371 -3.6371 -3.4848 -3.4848 -3.3104 -3.3104 -2.7207 -2.7207 -2.5626 -2.5626 -2.3709 -2.3709 -2.2437 -2.2437 -1.6652 -1.6652 -1.6018 -1.6018 -1.4928 -1.4928 -1.3367 -1.3367 4.3480 4.3480 4.4703 4.4703 5.1954 5.1954 5.2275 5.2275 5.5775 5.5778 k = 0.0870 0.5000 0.7955 ( 7532 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8663 -7.8663 -7.8583 -7.8583 -7.8219 -7.8219 -7.8167 -7.8167 -3.6621 -3.6621 -3.6537 -3.6537 -3.4631 -3.4631 -3.3003 -3.3003 -2.7203 -2.7203 -2.5661 -2.5661 -2.3697 -2.3697 -2.2473 -2.2473 -1.6610 -1.6610 -1.6026 -1.6026 -1.4819 -1.4819 -1.3344 -1.3344 4.3550 4.3550 4.4745 4.4745 5.1893 5.1893 5.2191 5.2191 5.5772 5.5777 k = 0.1087 0.5000 0.7955 ( 7532 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2814 -21.2814 -21.2800 -21.2800 -20.9217 -20.9217 -20.9183 -20.9183 -20.8781 -20.8781 -20.8761 -20.8761 -7.8689 -7.8689 -7.8621 -7.8621 -7.8176 -7.8176 -7.8134 -7.8134 -3.6839 -3.6839 -3.6712 -3.6712 -3.4413 -3.4413 -3.2891 -3.2891 -2.7195 -2.7195 -2.5704 -2.5704 -2.3682 -2.3682 -2.2517 -2.2517 -1.6557 -1.6557 -1.6028 -1.6028 -1.4691 -1.4691 -1.3316 -1.3316 4.3640 4.3640 4.4800 4.4800 5.1815 5.1815 5.2084 5.2084 5.5769 5.5769 k = 0.1304 0.5000 0.7955 ( 7540 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2814 -21.2814 -21.2801 -21.2801 -20.9217 -20.9217 -20.9183 -20.9183 -20.8781 -20.8781 -20.8762 -20.8762 -7.8716 -7.8716 -7.8658 -7.8658 -7.8133 -7.8133 -7.8098 -7.8098 -3.7056 -3.7056 -3.6902 -3.6902 -3.4197 -3.4197 -3.2776 -3.2776 -2.7184 -2.7184 -2.5754 -2.5754 -2.3665 -2.3665 -2.2570 -2.2570 -1.6495 -1.6495 -1.6022 -1.6022 -1.4549 -1.4549 -1.3282 -1.3282 4.3749 4.3749 4.4867 4.4867 5.1718 5.1718 5.1955 5.1955 5.5765 5.5767 k = 0.1522 0.5000 0.7955 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2814 -21.2814 -21.2801 -21.2801 -20.9216 -20.9216 -20.9184 -20.9184 -20.8780 -20.8780 -20.8762 -20.8762 -7.8743 -7.8743 -7.8693 -7.8693 -7.8090 -7.8090 -7.8061 -7.8061 -3.7269 -3.7269 -3.7101 -3.7101 -3.3986 -3.3986 -3.2663 -3.2663 -2.7166 -2.7166 -2.5810 -2.5810 -2.3646 -2.3646 -2.2629 -2.2629 -1.6424 -1.6424 -1.6007 -1.6007 -1.4396 -1.4396 -1.3242 -1.3242 4.3877 4.3877 4.4947 4.4947 5.1604 5.1604 5.1806 5.1806 5.5761 5.5762 k = 0.1739 0.5000 0.7955 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2814 -21.2814 -21.2801 -21.2801 -20.9216 -20.9216 -20.9184 -20.9184 -20.8780 -20.8780 -20.8762 -20.8762 -7.8770 -7.8770 -7.8727 -7.8727 -7.8048 -7.8048 -7.8023 -7.8023 -3.7476 -3.7476 -3.7305 -3.7305 -3.3782 -3.3782 -3.2558 -3.2558 -2.7142 -2.7142 -2.5871 -2.5871 -2.3627 -2.3627 -2.2694 -2.2694 -1.6348 -1.6348 -1.5984 -1.5984 -1.4236 -1.4236 -1.3199 -1.3199 4.4022 4.4022 4.5037 4.5037 5.1471 5.1471 5.1636 5.1636 5.5756 5.5759 k = 0.1957 0.5000 0.7955 ( 7536 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2814 -21.2814 -21.2801 -21.2801 -20.9215 -20.9215 -20.9185 -20.9185 -20.8780 -20.8780 -20.8763 -20.8763 -7.8796 -7.8796 -7.8759 -7.8759 -7.8007 -7.8007 -7.7985 -7.7985 -3.7676 -3.7676 -3.7509 -3.7509 -3.3585 -3.3585 -3.2464 -3.2464 -2.7111 -2.7111 -2.5935 -2.5935 -2.3607 -2.3607 -2.2762 -2.2762 -1.6267 -1.6267 -1.5954 -1.5954 -1.4073 -1.4073 -1.3151 -1.3151 4.4185 4.4185 4.5140 4.5140 5.1320 5.1320 5.1449 5.1449 5.5752 5.5760 k = 0.2174 0.5000 0.7955 ( 7532 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2813 -21.2813 -21.2802 -21.2802 -20.9215 -20.9215 -20.9186 -20.9186 -20.8779 -20.8779 -20.8763 -20.8763 -7.8821 -7.8821 -7.8789 -7.8789 -7.7967 -7.7967 -7.7948 -7.7948 -3.7867 -3.7867 -3.7709 -3.7709 -3.3398 -3.3398 -3.2382 -3.2382 -2.7073 -2.7073 -2.6001 -2.6001 -2.3588 -2.3588 -2.2834 -2.2834 -1.6184 -1.6184 -1.5916 -1.5916 -1.3908 -1.3908 -1.3100 -1.3100 4.4365 4.4365 4.5254 4.5254 5.1150 5.1150 5.1247 5.1247 5.5746 5.5752 k = 0.2391 0.5000 0.7955 ( 7508 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2813 -21.2813 -21.2802 -21.2802 -20.9213 -20.9213 -20.9186 -20.9186 -20.8778 -20.8778 -20.8763 -20.8763 -7.8844 -7.8844 -7.8817 -7.8817 -7.7929 -7.7929 -7.7911 -7.7911 -3.8049 -3.8049 -3.7903 -3.7903 -3.3219 -3.3219 -3.2312 -3.2312 -2.7029 -2.7029 -2.6066 -2.6066 -2.3569 -2.3569 -2.2906 -2.2906 -1.6099 -1.6099 -1.5874 -1.5874 -1.3745 -1.3745 -1.3047 -1.3047 4.4560 4.4560 4.5380 4.5380 5.0959 5.0959 5.1034 5.1034 5.5742 5.5744 k = 0.2609 0.5000 0.7955 ( 7500 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9212 -20.9212 -20.9187 -20.9187 -20.8778 -20.8778 -20.8764 -20.8764 -7.8866 -7.8866 -7.8843 -7.8843 -7.7892 -7.7892 -7.7877 -7.7877 -3.8219 -3.8219 -3.8090 -3.8090 -3.3052 -3.3052 -3.2255 -3.2255 -2.6979 -2.6979 -2.6131 -2.6131 -2.3552 -2.3552 -2.2978 -2.2978 -1.6014 -1.6014 -1.5828 -1.5828 -1.3586 -1.3586 -1.2993 -1.2993 4.4769 4.4769 4.5517 4.5517 5.0745 5.0745 5.0815 5.0815 5.5738 5.5762 k = 0.2826 0.5000 0.7955 ( 7504 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9211 -20.9211 -20.9188 -20.9188 -20.8777 -20.8777 -20.8764 -20.8764 -7.8887 -7.8887 -7.8867 -7.8867 -7.7858 -7.7858 -7.7844 -7.7844 -3.8378 -3.8378 -3.8266 -3.8266 -3.2897 -3.2897 -3.2210 -3.2210 -2.6925 -2.6925 -2.6194 -2.6194 -2.3536 -2.3536 -2.3050 -2.3050 -1.5931 -1.5931 -1.5780 -1.5780 -1.3433 -1.3433 -1.2938 -1.2938 4.4993 4.4993 4.5665 4.5665 5.0510 5.0510 5.0591 5.0591 5.5734 5.5747 k = 0.3043 0.5000 0.7955 ( 7512 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9210 -20.9210 -20.9189 -20.9189 -20.8777 -20.8777 -20.8765 -20.8765 -7.8906 -7.8906 -7.8890 -7.8890 -7.7826 -7.7826 -7.7813 -7.7813 -3.8525 -3.8525 -3.8430 -3.8430 -3.2754 -3.2754 -3.2177 -3.2177 -2.6869 -2.6869 -2.6254 -2.6254 -2.3521 -2.3521 -2.3118 -2.3118 -1.5852 -1.5852 -1.5731 -1.5731 -1.3288 -1.3288 -1.2884 -1.2884 4.5228 4.5228 4.5823 4.5823 5.0262 5.0262 5.0358 5.0358 5.5729 5.5736 k = 0.3261 0.5000 0.7955 ( 7512 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9209 -20.9209 -20.9190 -20.9190 -20.8776 -20.8776 -20.8766 -20.8766 -7.8923 -7.8923 -7.8909 -7.8909 -7.7797 -7.7797 -7.7785 -7.7785 -3.8658 -3.8658 -3.8580 -3.8580 -3.2624 -3.2624 -3.2153 -3.2153 -2.6812 -2.6812 -2.6310 -2.6310 -2.3507 -2.3507 -2.3183 -2.3183 -1.5777 -1.5777 -1.5683 -1.5683 -1.3153 -1.3153 -1.2832 -1.2832 4.5474 4.5474 4.5992 4.5992 5.0004 5.0004 5.0115 5.0115 5.5724 5.5729 k = 0.3478 0.5000 0.7955 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2804 -21.2804 -20.9208 -20.9208 -20.9192 -20.9192 -20.8776 -20.8776 -20.8767 -20.8767 -7.8938 -7.8938 -7.8927 -7.8927 -7.7770 -7.7770 -7.7760 -7.7760 -3.8778 -3.8778 -3.8715 -3.8715 -3.2507 -3.2507 -3.2136 -3.2136 -2.6757 -2.6757 -2.6361 -2.6361 -2.3496 -2.3496 -2.3243 -2.3243 -1.5709 -1.5709 -1.5638 -1.5638 -1.3030 -1.3030 -1.2782 -1.2782 4.5730 4.5730 4.6170 4.6170 4.9741 4.9741 4.9863 4.9863 5.5720 5.5721 k = 0.3696 0.5000 0.7955 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2804 -21.2804 -20.9207 -20.9207 -20.9193 -20.9193 -20.8775 -20.8775 -20.8767 -20.8767 -7.8951 -7.8951 -7.8943 -7.8943 -7.7746 -7.7746 -7.7738 -7.7738 -3.8882 -3.8882 -3.8835 -3.8835 -3.2405 -3.2405 -3.2126 -3.2126 -2.6704 -2.6704 -2.6407 -2.6407 -2.3486 -2.3486 -2.3297 -2.3297 -1.5647 -1.5647 -1.5596 -1.5596 -1.2919 -1.2919 -1.2737 -1.2737 4.5994 4.5994 4.6358 4.6358 4.9476 4.9476 4.9603 4.9603 5.5722 5.5725 k = 0.3913 0.5000 0.7955 ( 7512 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2805 -21.2805 -20.9206 -20.9206 -20.9194 -20.9194 -20.8774 -20.8774 -20.8768 -20.8768 -7.8962 -7.8962 -7.8956 -7.8956 -7.7726 -7.7726 -7.7718 -7.7718 -3.8972 -3.8972 -3.8938 -3.8938 -3.2318 -3.2318 -3.2120 -3.2120 -2.6657 -2.6657 -2.6446 -2.6446 -2.3477 -2.3477 -2.3345 -2.3345 -1.5593 -1.5593 -1.5558 -1.5558 -1.2824 -1.2824 -1.2697 -1.2697 4.6262 4.6262 4.6552 4.6552 4.9213 4.9213 4.9338 4.9338 5.5718 5.5722 k = 0.4130 0.5000 0.7955 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2805 -21.2805 -20.9205 -20.9205 -20.9195 -20.9195 -20.8774 -20.8774 -20.8769 -20.8769 -7.8971 -7.8971 -7.8967 -7.8967 -7.7709 -7.7709 -7.7703 -7.7703 -3.9046 -3.9046 -3.9023 -3.9023 -3.2246 -3.2246 -3.2118 -3.2118 -2.6616 -2.6616 -2.6479 -2.6479 -2.3470 -2.3470 -2.3385 -2.3385 -1.5548 -1.5548 -1.5526 -1.5526 -1.2744 -1.2744 -1.2662 -1.2662 4.6532 4.6532 4.6752 4.6752 4.8955 4.8955 4.9069 4.9069 5.5715 5.5721 k = 0.4348 0.5000 0.7955 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2806 -21.2806 -20.9204 -20.9204 -20.9196 -20.9196 -20.8773 -20.8773 -20.8769 -20.8769 -7.8978 -7.8978 -7.8975 -7.8975 -7.7695 -7.7695 -7.7691 -7.7691 -3.9104 -3.9104 -3.9090 -3.9090 -3.2190 -3.2190 -3.2117 -3.2117 -2.6583 -2.6583 -2.6505 -2.6505 -2.3465 -2.3465 -2.3416 -2.3416 -1.5512 -1.5512 -1.5500 -1.5500 -1.2681 -1.2681 -1.2635 -1.2635 4.6799 4.6799 4.6951 4.6951 4.8708 4.8708 4.8804 4.8804 5.5712 5.5718 k = 0.4565 0.5000 0.7955 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2806 -21.2806 -20.9203 -20.9203 -20.9198 -20.9198 -20.8773 -20.8773 -20.8770 -20.8770 -7.8983 -7.8983 -7.8981 -7.8981 -7.7685 -7.7685 -7.7682 -7.7682 -3.9145 -3.9145 -3.9138 -3.9138 -3.2150 -3.2150 -3.2117 -3.2117 -2.6559 -2.6559 -2.6523 -2.6523 -2.3461 -2.3461 -2.3439 -2.3439 -1.5487 -1.5487 -1.5481 -1.5481 -1.2635 -1.2635 -1.2614 -1.2614 4.7050 4.7050 4.7141 4.7141 4.8484 4.8484 4.8553 4.8553 5.5712 5.5713 k = 0.4783 0.5000 0.7955 ( 7532 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2807 -21.2807 -20.9201 -20.9201 -20.9199 -20.9199 -20.8772 -20.8772 -20.8771 -20.8771 -7.8986 -7.8986 -7.8985 -7.8985 -7.7679 -7.7679 -7.7677 -7.7677 -3.9170 -3.9170 -3.9167 -3.9167 -3.2126 -3.2126 -3.2117 -3.2117 -2.6544 -2.6544 -2.6535 -2.6535 -2.3459 -2.3459 -2.3453 -2.3453 -1.5471 -1.5471 -1.5470 -1.5470 -1.2607 -1.2607 -1.2602 -1.2602 4.7257 4.7257 4.7295 4.7295 4.8311 4.8311 4.8345 4.8345 5.5712 5.5714 k = 0.5000 0.5000 0.7955 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2807 -21.2807 -21.2807 -21.2807 -20.9200 -20.9200 -20.9200 -20.9200 -20.8771 -20.8771 -20.8771 -20.8771 -7.8986 -7.8986 -7.8986 -7.8986 -7.7676 -7.7676 -7.7676 -7.7676 -3.9178 -3.9178 -3.9178 -3.9178 -3.2117 -3.2117 -3.2117 -3.2117 -2.6538 -2.6538 -2.6538 -2.6538 -2.3458 -2.3458 -2.3458 -2.3458 -1.5466 -1.5466 -1.5466 -1.5466 -1.2598 -1.2598 -1.2598 -1.2598 4.7354 4.7354 4.7354 4.7354 4.8247 4.8247 4.8247 4.8247 5.5713 5.5713 k = 0.5000 0.5000 0.7955 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2807 -21.2807 -21.2807 -21.2807 -20.9200 -20.9200 -20.9200 -20.9200 -20.8771 -20.8771 -20.8771 -20.8771 -7.8986 -7.8986 -7.8986 -7.8986 -7.7676 -7.7676 -7.7676 -7.7676 -3.9178 -3.9178 -3.9178 -3.9178 -3.2117 -3.2117 -3.2117 -3.2117 -2.6538 -2.6538 -2.6538 -2.6538 -2.3458 -2.3458 -2.3458 -2.3458 -1.5466 -1.5466 -1.5466 -1.5466 -1.2598 -1.2598 -1.2598 -1.2598 4.7354 4.7354 4.7354 4.7354 4.8247 4.8247 4.8247 4.8247 5.5713 5.5713 k = 0.4844 0.4844 0.7955 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2807 -21.2807 -20.9201 -20.9201 -20.9199 -20.9199 -20.8772 -20.8772 -20.8771 -20.8771 -7.8988 -7.8988 -7.8983 -7.8983 -7.7681 -7.7681 -7.7675 -7.7675 -3.9174 -3.9174 -3.9162 -3.9162 -3.2126 -3.2126 -3.2117 -3.2117 -2.6540 -2.6540 -2.6539 -2.6539 -2.3461 -2.3461 -2.3451 -2.3451 -1.5472 -1.5472 -1.5469 -1.5469 -1.2607 -1.2607 -1.2603 -1.2603 4.7204 4.7204 4.7356 4.7356 4.8242 4.8242 4.8408 4.8408 5.5712 5.5714 k = 0.4688 0.4687 0.7955 ( 7516 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2806 -21.2806 -20.9202 -20.9202 -20.9198 -20.9198 -20.8772 -20.8772 -20.8770 -20.8770 -7.8992 -7.8992 -7.8971 -7.8971 -7.7695 -7.7695 -7.7672 -7.7672 -3.9163 -3.9163 -3.9118 -3.9118 -3.2151 -3.2151 -3.2117 -3.2117 -2.6542 -2.6542 -2.6540 -2.6540 -2.3469 -2.3469 -2.3430 -2.3430 -1.5491 -1.5491 -1.5477 -1.5477 -1.2633 -1.2633 -1.2619 -1.2619 4.6904 4.6904 4.7358 4.7358 4.8231 4.8231 4.8738 4.8738 5.5714 5.5716 k = 0.4531 0.4531 0.7955 ( 7516 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2806 -21.2806 -20.9204 -20.9204 -20.9196 -20.9196 -20.8773 -20.8773 -20.8769 -20.8769 -7.8999 -7.8999 -7.8953 -7.8953 -7.7720 -7.7720 -7.7667 -7.7667 -3.9144 -3.9144 -3.9044 -3.9044 -3.2192 -3.2192 -3.2117 -3.2117 -2.6545 -2.6545 -2.6541 -2.6541 -2.3484 -2.3484 -2.3396 -2.3396 -1.5523 -1.5523 -1.5492 -1.5492 -1.2676 -1.2676 -1.2645 -1.2645 4.6574 4.6574 4.7361 4.7361 4.8214 4.8214 4.9118 4.9118 5.5713 5.5717 k = 0.4375 0.4375 0.7955 ( 7512 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2805 -21.2805 -20.9205 -20.9205 -20.9195 -20.9195 -20.8774 -20.8774 -20.8768 -20.8768 -7.9009 -7.9009 -7.8928 -7.8928 -7.7753 -7.7753 -7.7660 -7.7660 -3.9118 -3.9118 -3.8942 -3.8942 -3.2252 -3.2252 -3.2116 -3.2116 -2.6549 -2.6549 -2.6541 -2.6541 -2.3505 -2.3505 -2.3349 -2.3349 -1.5567 -1.5567 -1.5512 -1.5512 -1.2735 -1.2735 -1.2682 -1.2682 4.6249 4.6249 4.7365 4.7365 4.8193 4.8193 4.9513 4.9513 5.5714 5.5721 k = 0.4219 0.4219 0.7955 ( 7500 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2805 -21.2805 -20.9206 -20.9206 -20.9194 -20.9194 -20.8774 -20.8774 -20.8767 -20.8767 -7.9021 -7.9021 -7.8895 -7.8895 -7.7795 -7.7795 -7.7651 -7.7651 -3.9085 -3.9085 -3.8812 -3.8812 -3.2329 -3.2329 -3.2116 -3.2116 -2.6552 -2.6552 -2.6537 -2.6537 -2.3531 -2.3531 -2.3291 -2.3291 -1.5622 -1.5622 -1.5538 -1.5538 -1.2812 -1.2812 -1.2730 -1.2730 4.5941 4.5941 4.7370 4.7370 4.8171 4.8171 4.9908 4.9908 5.5712 5.5725 k = 0.4062 0.4062 0.7955 ( 7518 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2804 -21.2804 -20.9207 -20.9207 -20.9193 -20.9193 -20.8775 -20.8775 -20.8767 -20.8767 -7.9036 -7.9036 -7.8857 -7.8857 -7.7845 -7.7845 -7.7640 -7.7640 -3.9046 -3.9046 -3.8656 -3.8656 -3.2424 -3.2424 -3.2115 -3.2115 -2.6556 -2.6556 -2.6527 -2.6527 -2.3564 -2.3564 -2.3222 -2.3222 -1.5688 -1.5688 -1.5568 -1.5568 -1.2904 -1.2904 -1.2791 -1.2791 4.5655 4.5655 4.7376 4.7376 4.8149 4.8149 5.0295 5.0295 5.5715 5.5723 k = 0.3906 0.3906 0.7955 ( 7510 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2804 -21.2804 -20.9208 -20.9208 -20.9192 -20.9192 -20.8776 -20.8776 -20.8766 -20.8766 -7.9053 -7.9053 -7.8812 -7.8812 -7.7903 -7.7903 -7.7628 -7.7628 -3.8999 -3.8999 -3.8476 -3.8476 -3.2538 -3.2538 -3.2114 -3.2114 -2.6559 -2.6559 -2.6509 -2.6509 -2.3602 -2.3602 -2.3145 -2.3145 -1.5765 -1.5765 -1.5603 -1.5603 -1.3012 -1.3012 -1.2863 -1.2863 4.5396 4.5396 4.7384 4.7384 4.8132 4.8132 5.0670 5.0670 5.5714 5.5722 k = 0.3750 0.3750 0.7955 ( 7512 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9209 -20.9209 -20.9191 -20.9191 -20.8776 -20.8776 -20.8766 -20.8766 -7.9072 -7.9072 -7.8761 -7.8761 -7.7967 -7.7967 -7.7614 -7.7614 -3.8947 -3.8947 -3.8273 -3.8273 -3.2670 -3.2670 -3.2113 -3.2113 -2.6560 -2.6560 -2.6480 -2.6480 -2.3647 -2.3647 -2.3060 -2.3060 -1.5850 -1.5850 -1.5641 -1.5641 -1.3134 -1.3134 -1.2948 -1.2948 4.5166 4.5166 4.7393 4.7393 4.8122 4.8122 5.1026 5.1026 5.5715 5.5726 k = 0.3594 0.3594 0.7955 ( 7512 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9210 -20.9210 -20.9190 -20.9190 -20.8777 -20.8777 -20.8765 -20.8765 -7.9093 -7.9093 -7.8706 -7.8706 -7.8036 -7.8036 -7.7600 -7.7600 -3.8888 -3.8888 -3.8051 -3.8051 -3.2819 -3.2819 -3.2112 -3.2112 -2.6558 -2.6558 -2.6439 -2.6439 -2.3698 -2.3698 -2.2969 -2.2969 -1.5943 -1.5943 -1.5683 -1.5683 -1.3269 -1.3269 -1.3046 -1.3046 4.4969 4.4969 4.7406 4.7406 4.8120 4.8120 5.1359 5.1359 5.5715 5.5726 k = 0.3438 0.3437 0.7955 ( 7506 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9211 -20.9211 -20.9189 -20.9189 -20.8777 -20.8777 -20.8765 -20.8765 -7.9116 -7.9116 -7.8647 -7.8647 -7.8108 -7.8108 -7.7583 -7.7583 -3.8823 -3.8823 -3.7810 -3.7810 -3.2984 -3.2984 -3.2110 -3.2110 -2.6553 -2.6553 -2.6383 -2.6383 -2.3754 -2.3754 -2.2874 -2.2874 -1.6042 -1.6042 -1.5728 -1.5728 -1.3416 -1.3416 -1.3158 -1.3158 4.4806 4.4806 4.7422 4.7422 4.8128 4.8128 5.1664 5.1664 5.5718 5.5731 k = 0.3281 0.3281 0.7955 ( 7510 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2803 -21.2803 -20.9211 -20.9211 -20.9188 -20.9188 -20.8777 -20.8777 -20.8765 -20.8765 -7.9140 -7.9140 -7.8588 -7.8588 -7.8181 -7.8181 -7.7566 -7.7566 -3.8754 -3.8754 -3.7556 -3.7556 -3.3163 -3.3163 -3.2109 -3.2109 -2.6545 -2.6545 -2.6311 -2.6311 -2.3817 -2.3817 -2.2777 -2.2777 -1.6147 -1.6147 -1.5775 -1.5775 -1.3575 -1.3575 -1.3283 -1.3283 4.4679 4.4679 4.7445 4.7445 4.8146 4.8146 5.1940 5.1940 5.5716 5.5725 k = 0.3125 0.3125 0.7955 ( 7502 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9212 -20.9212 -20.9188 -20.9188 -20.8777 -20.8777 -20.8764 -20.8764 -7.9165 -7.9165 -7.8536 -7.8536 -7.8247 -7.8247 -7.7547 -7.7547 -3.8680 -3.8680 -3.7292 -3.7292 -3.3351 -3.3351 -3.2106 -3.2106 -2.6533 -2.6533 -2.6221 -2.6221 -2.3886 -2.3886 -2.2681 -2.2681 -1.6256 -1.6256 -1.5824 -1.5824 -1.3743 -1.3743 -1.3421 -1.3421 4.4587 4.4587 4.7475 4.7475 4.8176 4.8176 5.2182 5.2182 5.5711 5.5715 k = 0.2969 0.2969 0.7955 ( 7510 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9212 -20.9212 -20.9187 -20.9187 -20.8778 -20.8778 -20.8764 -20.8764 -7.9192 -7.9192 -7.8511 -7.8511 -7.8284 -7.8284 -7.7528 -7.7528 -3.8603 -3.8603 -3.7024 -3.7024 -3.3545 -3.3545 -3.2104 -3.2104 -2.6516 -2.6516 -2.6115 -2.6115 -2.3960 -2.3960 -2.2586 -2.2586 -1.6368 -1.6368 -1.5875 -1.5875 -1.3919 -1.3919 -1.3574 -1.3574 4.4533 4.4533 4.7513 4.7513 4.8217 4.8217 5.2388 5.2388 5.5705 5.5713 k = 0.2812 0.2812 0.7955 ( 7498 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9212 -20.9212 -20.9187 -20.9187 -20.8778 -20.8778 -20.8764 -20.8764 -7.9219 -7.9219 -7.8540 -7.8540 -7.8266 -7.8266 -7.7509 -7.7509 -3.8522 -3.8522 -3.6758 -3.6758 -3.3736 -3.3736 -3.2100 -3.2100 -2.6493 -2.6493 -2.5989 -2.5989 -2.4039 -2.4039 -2.2496 -2.2496 -1.6481 -1.6481 -1.5927 -1.5927 -1.4100 -1.4100 -1.3740 -1.3740 4.4516 4.4516 4.7561 4.7561 4.8268 4.8268 5.2558 5.2558 5.5698 5.5707 k = 0.2656 0.2656 0.7955 ( 7506 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9213 -20.9213 -20.9187 -20.9187 -20.8778 -20.8778 -20.8764 -20.8764 -7.9247 -7.9247 -7.8607 -7.8607 -7.8209 -7.8209 -7.7489 -7.7489 -3.8438 -3.8438 -3.6505 -3.6505 -3.3915 -3.3915 -3.2097 -3.2097 -2.6465 -2.6465 -2.5847 -2.5847 -2.4124 -2.4124 -2.2412 -2.2412 -1.6593 -1.6593 -1.5980 -1.5980 -1.4286 -1.4286 -1.3918 -1.3918 4.4536 4.4536 4.7619 4.7619 4.8330 4.8330 5.2689 5.2689 5.5688 5.5688 k = 0.2500 0.2500 0.7955 ( 7502 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9213 -20.9213 -20.9187 -20.9187 -20.8778 -20.8778 -20.8763 -20.8763 -7.9275 -7.9275 -7.8688 -7.8688 -7.8137 -7.8137 -7.7469 -7.7469 -3.8353 -3.8353 -3.6281 -3.6281 -3.4066 -3.4066 -3.2093 -3.2093 -2.6431 -2.6431 -2.5687 -2.5687 -2.4213 -2.4213 -2.2337 -2.2337 -1.6704 -1.6704 -1.6034 -1.6034 -1.4474 -1.4474 -1.4109 -1.4109 4.4593 4.4593 4.7687 4.7687 4.8402 4.8402 5.2783 5.2783 5.5675 5.5699 k = 0.2344 0.2344 0.7955 ( 7506 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9213 -20.9213 -20.9187 -20.9187 -20.8778 -20.8778 -20.8763 -20.8763 -7.9302 -7.9302 -7.8772 -7.8772 -7.8058 -7.8058 -7.7449 -7.7449 -3.8267 -3.8267 -3.6110 -3.6110 -3.4164 -3.4164 -3.2088 -3.2088 -2.6390 -2.6390 -2.5511 -2.5511 -2.4306 -2.4306 -2.2274 -2.2274 -1.6811 -1.6811 -1.6089 -1.6089 -1.4661 -1.4661 -1.4310 -1.4310 4.4687 4.4687 4.7763 4.7763 4.8484 4.8484 5.2837 5.2837 5.5661 5.5665 k = 0.2188 0.2187 0.7955 ( 7516 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9213 -20.9213 -20.9187 -20.9187 -20.8778 -20.8778 -20.8764 -20.8764 -7.9330 -7.9330 -7.8858 -7.8858 -7.7979 -7.7979 -7.7429 -7.7429 -3.8181 -3.8181 -3.6018 -3.6018 -3.4183 -3.4183 -3.2083 -3.2083 -2.6344 -2.6344 -2.5320 -2.5320 -2.4402 -2.4402 -2.2222 -2.2222 -1.6914 -1.6914 -1.6146 -1.6146 -1.4846 -1.4846 -1.4521 -1.4521 4.4816 4.4816 4.7847 4.7847 4.8578 4.8578 5.2853 5.2853 5.5645 5.5648 k = 0.2031 0.2031 0.7955 ( 7504 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9212 -20.9212 -20.9187 -20.9187 -20.8778 -20.8778 -20.8764 -20.8764 -7.9356 -7.9356 -7.8941 -7.8941 -7.7898 -7.7898 -7.7409 -7.7409 -3.8096 -3.8096 -3.6018 -3.6018 -3.4110 -3.4110 -3.2077 -3.2077 -2.6291 -2.6291 -2.5116 -2.5116 -2.4499 -2.4499 -2.2185 -2.2185 -1.7011 -1.7011 -1.6204 -1.6204 -1.5025 -1.5025 -1.4738 -1.4738 4.4979 4.4979 4.7934 4.7934 4.8684 4.8684 5.2832 5.2832 5.5626 5.5628 k = 0.1875 0.1875 0.7955 ( 7500 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9212 -20.9212 -20.9188 -20.9188 -20.8777 -20.8777 -20.8764 -20.8764 -7.9382 -7.9382 -7.9022 -7.9022 -7.7818 -7.7818 -7.7390 -7.7390 -3.8013 -3.8013 -3.6096 -3.6096 -3.3959 -3.3959 -3.2071 -3.2071 -2.6231 -2.6231 -2.4906 -2.4906 -2.4590 -2.4590 -2.2164 -2.2164 -1.7102 -1.7102 -1.6266 -1.6266 -1.5198 -1.5198 -1.4958 -1.4958 4.5175 4.5175 4.8023 4.8023 4.8801 4.8801 5.2773 5.2773 5.5605 5.5613 k = 0.1719 0.1719 0.7955 ( 7504 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2802 -21.2802 -20.9211 -20.9211 -20.9188 -20.9188 -20.8777 -20.8777 -20.8764 -20.8764 -7.9407 -7.9407 -7.9100 -7.9100 -7.7741 -7.7741 -7.7371 -7.7371 -3.7932 -3.7932 -3.6226 -3.6226 -3.3757 -3.3757 -3.2064 -3.2064 -2.6166 -2.6166 -2.4770 -2.4770 -2.4600 -2.4600 -2.2159 -2.2159 -1.7186 -1.7186 -1.6335 -1.6335 -1.5360 -1.5360 -1.5178 -1.5178 4.5401 4.5401 4.8111 4.8111 4.8930 4.8930 5.2676 5.2676 5.5582 5.5587 k = 0.1562 0.1562 0.7955 ( 7504 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9210 -20.9210 -20.9189 -20.9189 -20.8777 -20.8777 -20.8765 -20.8765 -7.9431 -7.9431 -7.9174 -7.9174 -7.7667 -7.7667 -7.7354 -7.7354 -3.7855 -3.7855 -3.6383 -3.6383 -3.3529 -3.3529 -3.2058 -3.2058 -2.6095 -2.6095 -2.4835 -2.4835 -2.4400 -2.4400 -2.2170 -2.2170 -1.7263 -1.7263 -1.6413 -1.6413 -1.5511 -1.5511 -1.5390 -1.5390 4.5657 4.5657 4.8195 4.8195 4.9069 4.9069 5.2543 5.2543 5.5557 5.5563 k = 0.1406 0.1406 0.7955 ( 7510 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9210 -20.9210 -20.9190 -20.9190 -20.8776 -20.8776 -20.8765 -20.8765 -7.9452 -7.9452 -7.9242 -7.9242 -7.7597 -7.7597 -7.7338 -7.7338 -3.7782 -3.7782 -3.6549 -3.6549 -3.3293 -3.3293 -3.2051 -3.2051 -2.6020 -2.6020 -2.4931 -2.4931 -2.4162 -2.4162 -2.2197 -2.2197 -1.7332 -1.7332 -1.6508 -1.6508 -1.5648 -1.5648 -1.5586 -1.5586 4.5938 4.5938 4.8274 4.8274 4.9216 4.9216 5.2375 5.2375 5.5530 5.5531 k = 0.1250 0.1250 0.7955 ( 7510 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2811 -21.2811 -21.2803 -21.2803 -20.9209 -20.9209 -20.9191 -20.9191 -20.8776 -20.8776 -20.8766 -20.8766 -7.9473 -7.9473 -7.9305 -7.9305 -7.7531 -7.7531 -7.7323 -7.7323 -3.7714 -3.7714 -3.6713 -3.6713 -3.3060 -3.3060 -3.2044 -3.2044 -2.5942 -2.5942 -2.5029 -2.5029 -2.3918 -2.3918 -2.2237 -2.2237 -1.7394 -1.7394 -1.6625 -1.6625 -1.5771 -1.5771 -1.5756 -1.5756 4.6243 4.6243 4.8346 4.8346 4.9367 4.9367 5.2172 5.2172 5.5502 5.5505 k = 0.1094 0.1094 0.7955 ( 7522 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2804 -21.2804 -20.9208 -20.9208 -20.9192 -20.9192 -20.8775 -20.8775 -20.8766 -20.8766 -7.9491 -7.9491 -7.9361 -7.9361 -7.7472 -7.7472 -7.7309 -7.7309 -3.7653 -3.7653 -3.6869 -3.6869 -3.2838 -3.2838 -3.2037 -3.2037 -2.5862 -2.5862 -2.5123 -2.5123 -2.3675 -2.3675 -2.2288 -2.2288 -1.7450 -1.7450 -1.6768 -1.6768 -1.5893 -1.5893 -1.5877 -1.5877 4.6567 4.6567 4.8410 4.8410 4.9520 4.9520 5.1939 5.1939 5.5471 5.5483 k = 0.0938 0.0937 0.7955 ( 7514 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2804 -21.2804 -20.9207 -20.9207 -20.9193 -20.9193 -20.8775 -20.8775 -20.8767 -20.8767 -7.9507 -7.9507 -7.9411 -7.9411 -7.7418 -7.7418 -7.7297 -7.7297 -3.7598 -3.7598 -3.7012 -3.7012 -3.2635 -3.2635 -3.2031 -3.2031 -2.5783 -2.5783 -2.5211 -2.5211 -2.3439 -2.3439 -2.2346 -2.2346 -1.7498 -1.7498 -1.6931 -1.6931 -1.5996 -1.5996 -1.5968 -1.5968 4.6908 4.6908 4.8467 4.8467 4.9668 4.9668 5.1677 5.1677 5.5444 5.5459 k = 0.0781 0.0781 0.7955 ( 7526 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2810 -21.2810 -21.2805 -21.2805 -20.9206 -20.9206 -20.9194 -20.9194 -20.8774 -20.8774 -20.8768 -20.8768 -7.9522 -7.9522 -7.9454 -7.9454 -7.7372 -7.7372 -7.7287 -7.7287 -3.7551 -3.7551 -3.7138 -3.7138 -3.2454 -3.2454 -3.2025 -3.2025 -2.5708 -2.5708 -2.5291 -2.5291 -2.3217 -2.3217 -2.2409 -2.2409 -1.7540 -1.7540 -1.7104 -1.7104 -1.6071 -1.6071 -1.6042 -1.6042 4.7259 4.7259 4.8515 4.8515 4.9806 4.9806 5.1392 5.1392 5.5413 5.5425 k = 0.0625 0.0625 0.7955 ( 7530 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2805 -21.2805 -20.9205 -20.9205 -20.9195 -20.9195 -20.8774 -20.8774 -20.8768 -20.8768 -7.9533 -7.9533 -7.9490 -7.9490 -7.7334 -7.7334 -7.7278 -7.7278 -3.7511 -3.7511 -3.7244 -3.7244 -3.2300 -3.2300 -3.2020 -3.2020 -2.5638 -2.5638 -2.5361 -2.5361 -2.3016 -2.3016 -2.2469 -2.2469 -1.7575 -1.7575 -1.7271 -1.7271 -1.6123 -1.6123 -1.6102 -1.6102 4.7613 4.7613 4.8555 4.8555 4.9929 4.9929 5.1092 5.1092 5.5387 5.5404 k = 0.0469 0.0469 0.7955 ( 7526 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2809 -21.2809 -21.2806 -21.2806 -20.9204 -20.9204 -20.9196 -20.9196 -20.8773 -20.8773 -20.8769 -20.8769 -7.9542 -7.9542 -7.9518 -7.9518 -7.7303 -7.7303 -7.7272 -7.7272 -3.7480 -3.7480 -3.7328 -3.7328 -3.2176 -3.2176 -3.2016 -3.2016 -2.5579 -2.5579 -2.5418 -2.5418 -2.2846 -2.2846 -2.2523 -2.2523 -1.7602 -1.7602 -1.7420 -1.7420 -1.6160 -1.6160 -1.6147 -1.6147 4.7959 4.7959 4.8586 4.8586 5.0032 5.0032 5.0787 5.0787 5.5371 5.5375 k = 0.0312 0.0312 0.7955 ( 7538 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2806 -21.2806 -20.9203 -20.9203 -20.9198 -20.9198 -20.8772 -20.8772 -20.8770 -20.8770 -7.9549 -7.9549 -7.9538 -7.9538 -7.7281 -7.7281 -7.7267 -7.7267 -3.7457 -3.7457 -3.7389 -3.7389 -3.2085 -3.2085 -3.2013 -3.2013 -2.5534 -2.5534 -2.5460 -2.5460 -2.2715 -2.2715 -2.2567 -2.2567 -1.7622 -1.7622 -1.7537 -1.7537 -1.6184 -1.6184 -1.6178 -1.6178 4.8277 4.8277 4.8608 4.8608 5.0109 5.0109 5.0499 5.0499 5.5350 5.5357 k = 0.0156 0.0156 0.7955 ( 7534 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2807 -21.2807 -20.9201 -20.9201 -20.9199 -20.9199 -20.8772 -20.8772 -20.8770 -20.8770 -7.9553 -7.9553 -7.9550 -7.9550 -7.7268 -7.7268 -7.7264 -7.7264 -3.7443 -3.7443 -3.7426 -3.7426 -3.2029 -3.2029 -3.2011 -3.2011 -2.5505 -2.5505 -2.5486 -2.5486 -2.2632 -2.2632 -2.2594 -2.2594 -1.7634 -1.7634 -1.7613 -1.7613 -1.6198 -1.6198 -1.6196 -1.6196 4.8524 4.8524 4.8621 4.8621 5.0157 5.0157 5.0269 5.0270 5.5342 5.5345 k = 0.0000 0.0000 0.7955 ( 7570 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2808 -21.2808 -21.2808 -21.2808 -20.9200 -20.9200 -20.9200 -20.9200 -20.8772 -20.8772 -20.8772 -20.8772 -7.9555 -7.9555 -7.9555 -7.9555 -7.7263 -7.7263 -7.7263 -7.7263 -3.7439 -3.7439 -3.7439 -3.7439 -3.2011 -3.2011 -3.2011 -3.2011 -2.5495 -2.5495 -2.5495 -2.5495 -2.2604 -2.2604 -2.2604 -2.2604 -1.7639 -1.7639 -1.7639 -1.7639 -1.6203 -1.6203 -1.6203 -1.6203 4.8624 4.8624 4.8624 4.8624 5.0174 5.0174 5.0174 5.0174 5.5339 5.5339 k = 0.0000 0.5000-0.0000 ( 7520 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2729 -21.2729 -21.2729 -21.2729 -20.9084 -20.9084 -20.9084 -20.9084 -20.8729 -20.8729 -20.8729 -20.8729 -8.3304 -8.3304 -8.2609 -8.2609 -7.7924 -7.7924 -7.7123 -7.7123 -4.0099 -4.0099 -3.8820 -3.8820 -3.1969 -3.1969 -2.9621 -2.9621 -2.2205 -2.2205 -2.2160 -2.2160 -1.8271 -1.8271 -1.6556 -1.6556 -1.5810 -1.5810 -1.4140 -1.4140 -1.4120 -1.4120 -1.2596 -1.2596 4.3617 4.3617 4.3798 4.3798 5.1014 5.1014 5.1420 5.1420 5.1762 5.1762 k = 0.0000 0.5000 0.0221 ( 7526 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2729 -21.2729 -20.9085 -20.9085 -20.9083 -20.9083 -20.8730 -20.8730 -20.8729 -20.8729 -8.3298 -8.3298 -8.2603 -8.2603 -7.7923 -7.7923 -7.7122 -7.7122 -4.0094 -4.0094 -3.8815 -3.8815 -3.1973 -3.1973 -2.9625 -2.9625 -2.2200 -2.2200 -2.2168 -2.2168 -1.8285 -1.8285 -1.6652 -1.6652 -1.5753 -1.5753 -1.4141 -1.4141 -1.4115 -1.4115 -1.2598 -1.2598 4.3637 4.3637 4.3817 4.3817 5.1012 5.1012 5.1333 5.1333 5.1836 5.1836 k = 0.0000 0.5000 0.0442 ( 7506 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2729 -21.2729 -20.9086 -20.9086 -20.9082 -20.9082 -20.8730 -20.8730 -20.8728 -20.8728 -8.3280 -8.3280 -8.2586 -8.2586 -7.7919 -7.7919 -7.7120 -7.7120 -4.0078 -4.0078 -3.8800 -3.8800 -3.1984 -3.1984 -2.9637 -2.9637 -2.2193 -2.2193 -2.2182 -2.2182 -1.8329 -1.8329 -1.6880 -1.6880 -1.5644 -1.5644 -1.4146 -1.4146 -1.4092 -1.4092 -1.2603 -1.2603 4.3698 4.3698 4.3874 4.3874 5.1007 5.1007 5.1162 5.1162 5.1972 5.1972 k = 0.0000 0.5000 0.0663 ( 7518 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2731 -21.2731 -21.2729 -21.2729 -20.9087 -20.9087 -20.9083 -20.9083 -20.8732 -20.8732 -20.8729 -20.8729 -8.3251 -8.3251 -8.2558 -8.2558 -7.7914 -7.7914 -7.7118 -7.7118 -4.0051 -4.0051 -3.8774 -3.8774 -3.2003 -3.2003 -2.9658 -2.9658 -2.2235 -2.2235 -2.2155 -2.2155 -1.8401 -1.8401 -1.7172 -1.7172 -1.5560 -1.5560 -1.4156 -1.4156 -1.4046 -1.4046 -1.2613 -1.2613 4.3797 4.3797 4.3968 4.3968 5.0958 5.0958 5.1003 5.1003 5.2112 5.2113 k = 0.0000 0.5000 0.0884 ( 7510 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2732 -21.2732 -21.2730 -21.2730 -20.9089 -20.9089 -20.9083 -20.9083 -20.8733 -20.8733 -20.8729 -20.8729 -8.3211 -8.3211 -8.2518 -8.2518 -7.7907 -7.7907 -7.7116 -7.7116 -4.0014 -4.0014 -3.8739 -3.8739 -3.2029 -3.2029 -2.9686 -2.9686 -2.2291 -2.2291 -2.2116 -2.2116 -1.8501 -1.8501 -1.7498 -1.7498 -1.5532 -1.5532 -1.4170 -1.4170 -1.3971 -1.3971 -1.2625 -1.2625 4.3934 4.3934 4.4098 4.4098 5.0749 5.0749 5.0987 5.0987 5.2244 5.2245 k = 0.0000 0.5000 0.1105 ( 7490 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2734 -21.2734 -21.2731 -21.2731 -20.9091 -20.9091 -20.9083 -20.9083 -20.8735 -20.8735 -20.8730 -20.8730 -8.3158 -8.3158 -8.2467 -8.2467 -7.7898 -7.7898 -7.7112 -7.7112 -3.9966 -3.9966 -3.8694 -3.8694 -3.2063 -3.2063 -2.9722 -2.9722 -2.2363 -2.2363 -2.2066 -2.2066 -1.8627 -1.8627 -1.7848 -1.7848 -1.5568 -1.5568 -1.4188 -1.4188 -1.3868 -1.3868 -1.2642 -1.2642 4.4107 4.4107 4.4263 4.4263 5.0528 5.0528 5.0970 5.0970 5.2347 5.2366 k = 0.0000 0.5000 0.1326 ( 7500 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2736 -21.2736 -21.2732 -21.2732 -20.9094 -20.9094 -20.9084 -20.9084 -20.8737 -20.8737 -20.8731 -20.8731 -8.3095 -8.3095 -8.2406 -8.2406 -7.7887 -7.7887 -7.7109 -7.7109 -3.9909 -3.9909 -3.8639 -3.8639 -3.2104 -3.2104 -2.9767 -2.9767 -2.2448 -2.2448 -2.2006 -2.2006 -1.8779 -1.8779 -1.8215 -1.8215 -1.5664 -1.5664 -1.4210 -1.4210 -1.3745 -1.3745 -1.2661 -1.2661 4.4311 4.4311 4.4460 4.4460 5.0302 5.0302 5.0945 5.0945 5.2326 5.2327 k = 0.0000 0.5000 0.1547 ( 7502 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2738 -21.2738 -21.2733 -21.2733 -20.9097 -20.9097 -20.9086 -20.9086 -20.8739 -20.8739 -20.8733 -20.8733 -8.3021 -8.3021 -8.2335 -8.2335 -7.7875 -7.7875 -7.7105 -7.7105 -3.9841 -3.9841 -3.8576 -3.8576 -3.2154 -3.2154 -2.9819 -2.9819 -2.2546 -2.2546 -2.1936 -2.1936 -1.8954 -1.8954 -1.8594 -1.8594 -1.5811 -1.5811 -1.4236 -1.4236 -1.3614 -1.3614 -1.2684 -1.2684 4.4543 4.4543 4.4687 4.4687 5.0075 5.0075 5.0913 5.0913 5.2290 5.2292 k = 0.0000 0.5000 0.1768 ( 7498 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2740 -21.2740 -21.2735 -21.2735 -20.9100 -20.9100 -20.9087 -20.9087 -20.8741 -20.8741 -20.8734 -20.8734 -8.2937 -8.2937 -8.2253 -8.2253 -7.7861 -7.7861 -7.7101 -7.7101 -3.9764 -3.9764 -3.8504 -3.8504 -3.2212 -3.2212 -2.9879 -2.9879 -2.2656 -2.2656 -2.1858 -2.1858 -1.9151 -1.9151 -1.8981 -1.8981 -1.5998 -1.5998 -1.4266 -1.4266 -1.3484 -1.3484 -1.2709 -1.2709 4.4797 4.4797 4.4942 4.4942 4.9850 4.9850 5.0871 5.0871 5.2250 5.2250 k = 0.0000 0.5000 0.1989 ( 7498 PWs) bands (ev): -40.0458 -40.0458 -40.0458 -40.0458 -21.2742 -21.2742 -21.2737 -21.2737 -20.9103 -20.9103 -20.9089 -20.9089 -20.8744 -20.8744 -20.8736 -20.8736 -8.2842 -8.2842 -8.2162 -8.2162 -7.7846 -7.7846 -7.7097 -7.7097 -3.9677 -3.9677 -3.8424 -3.8424 -3.2278 -3.2278 -2.9947 -2.9947 -2.2775 -2.2775 -2.1773 -2.1773 -1.9376 -1.9376 -1.9362 -1.9362 -1.6219 -1.6219 -1.4301 -1.4301 -1.3360 -1.3360 -1.2736 -1.2736 4.5067 4.5067 4.5219 4.5219 4.9634 4.9634 5.0816 5.0816 5.2207 5.2207 k = 0.0000 0.5000 0.2210 ( 7502 PWs) bands (ev): -40.0458 -40.0458 -40.0458 -40.0458 -21.2745 -21.2745 -21.2739 -21.2739 -20.9107 -20.9107 -20.9091 -20.9091 -20.8747 -20.8747 -20.8738 -20.8738 -8.2738 -8.2738 -8.2061 -8.2061 -7.7830 -7.7830 -7.7094 -7.7094 -3.9581 -3.9581 -3.8337 -3.8337 -3.2353 -3.2353 -3.0023 -3.0023 -2.2904 -2.2904 -2.1685 -2.1685 -1.9762 -1.9762 -1.9598 -1.9598 -1.6466 -1.6466 -1.4339 -1.4339 -1.3248 -1.3248 -1.2766 -1.2766 4.5343 4.5343 4.5515 4.5515 4.9434 4.9434 5.0746 5.0746 5.2166 5.2166 k = 0.0000 0.5000 0.2431 ( 7510 PWs) bands (ev): -40.0458 -40.0458 -40.0458 -40.0458 -21.2748 -21.2748 -21.2741 -21.2741 -20.9111 -20.9111 -20.9094 -20.9094 -20.8750 -20.8750 -20.8740 -20.8740 -8.2624 -8.2624 -8.1952 -8.1952 -7.7814 -7.7814 -7.7093 -7.7093 -3.9476 -3.9476 -3.8243 -3.8243 -3.2437 -3.2437 -3.0106 -3.0106 -2.3039 -2.3039 -2.1603 -2.1603 -2.0139 -2.0139 -1.9843 -1.9843 -1.6736 -1.6736 -1.4382 -1.4382 -1.3149 -1.3149 -1.2798 -1.2798 4.5613 4.5613 4.5825 4.5825 4.9261 4.9261 5.0662 5.0662 5.2129 5.2129 k = 0.0000 0.5000 0.2652 ( 7510 PWs) bands (ev): -40.0457 -40.0457 -40.0457 -40.0457 -21.2751 -21.2751 -21.2744 -21.2744 -20.9116 -20.9116 -20.9097 -20.9097 -20.8752 -20.8752 -20.8742 -20.8742 -8.2500 -8.2500 -8.1834 -8.1834 -7.7797 -7.7797 -7.7092 -7.7092 -3.9362 -3.9362 -3.8144 -3.8144 -3.2529 -3.2529 -3.0197 -3.0197 -2.3180 -2.3180 -2.1550 -2.1550 -2.0479 -2.0479 -2.0098 -2.0098 -1.7023 -1.7023 -1.4429 -1.4429 -1.3067 -1.3067 -1.2831 -1.2831 4.5858 4.5858 4.6142 4.6142 4.9132 4.9132 5.0566 5.0566 5.2101 5.2101 k = 0.0000 0.5000 0.2873 ( 7518 PWs) bands (ev): -40.0457 -40.0457 -40.0457 -40.0457 -21.2754 -21.2754 -21.2746 -21.2746 -20.9121 -20.9121 -20.9100 -20.9100 -20.8755 -20.8755 -20.8744 -20.8744 -8.2369 -8.2369 -8.1708 -8.1708 -7.7780 -7.7780 -7.7093 -7.7093 -3.9241 -3.9241 -3.8039 -3.8039 -3.2629 -3.2629 -3.0295 -3.0295 -2.3324 -2.3324 -2.1587 -2.1587 -2.0721 -2.0721 -2.0360 -2.0360 -1.7323 -1.7323 -1.4480 -1.4480 -1.3001 -1.3001 -1.2865 -1.2865 4.6057 4.6057 4.6455 4.6455 4.9067 4.9067 5.0465 5.0465 5.2081 5.2082 k = 0.0000 0.5000 0.3094 ( 7514 PWs) bands (ev): -40.0456 -40.0456 -40.0456 -40.0456 -21.2757 -21.2757 -21.2749 -21.2749 -20.9125 -20.9125 -20.9104 -20.9104 -20.8758 -20.8758 -20.8745 -20.8745 -8.2229 -8.2229 -8.1575 -8.1575 -7.7763 -7.7763 -7.7095 -7.7095 -3.9111 -3.9111 -3.7930 -3.7930 -3.2739 -3.2739 -3.0401 -3.0401 -2.3472 -2.3472 -2.1784 -2.1784 -2.0791 -2.0791 -2.0626 -2.0626 -1.7633 -1.7633 -1.4536 -1.4536 -1.2954 -1.2954 -1.2901 -1.2901 4.6184 4.6184 4.6751 4.6751 4.9089 4.9089 5.0372 5.0372 5.2072 5.2072 k = 0.0000 0.5000 0.3315 ( 7520 PWs) bands (ev): -40.0456 -40.0456 -40.0456 -40.0456 -21.2761 -21.2761 -21.2752 -21.2752 -20.9131 -20.9131 -20.9108 -20.9108 -20.8760 -20.8760 -20.8747 -20.8747 -8.2082 -8.2082 -8.1436 -8.1436 -7.7748 -7.7748 -7.7101 -7.7101 -3.8975 -3.8975 -3.7817 -3.7817 -3.2857 -3.2857 -3.0512 -3.0512 -2.3621 -2.3621 -2.2100 -2.2100 -2.0893 -2.0893 -2.0730 -2.0730 -1.7949 -1.7949 -1.4597 -1.4597 -1.2938 -1.2938 -1.2923 -1.2923 4.6225 4.6225 4.7012 4.7012 4.9211 4.9211 5.0307 5.0307 5.2071 5.2071 k = 0.0000 0.5000 0.3536 ( 7512 PWs) bands (ev): -40.0456 -40.0456 -40.0456 -40.0456 -21.2764 -21.2764 -21.2755 -21.2755 -20.9136 -20.9136 -20.9112 -20.9112 -20.8763 -20.8763 -20.8749 -20.8749 -8.1928 -8.1928 -8.1290 -8.1290 -7.7733 -7.7733 -7.7109 -7.7109 -3.8831 -3.8831 -3.7702 -3.7702 -3.2983 -3.2983 -3.0631 -3.0631 -2.3771 -2.3771 -2.2463 -2.2463 -2.1158 -2.1158 -2.0611 -2.0611 -1.8268 -1.8268 -1.4662 -1.4662 -1.2973 -1.2973 -1.2912 -1.2912 4.6183 4.6183 4.7215 4.7215 4.9429 4.9429 5.0293 5.0293 5.2078 5.2078 k = 0.0000 0.5000 0.3757 ( 7522 PWs) bands (ev): -40.0455 -40.0455 -40.0455 -40.0455 -21.2768 -21.2768 -21.2758 -21.2758 -20.9142 -20.9142 -20.9116 -20.9116 -20.8765 -20.8765 -20.8751 -20.8751 -8.1767 -8.1767 -8.1140 -8.1140 -7.7720 -7.7720 -7.7120 -7.7120 -3.8681 -3.8681 -3.7586 -3.7586 -3.3116 -3.3116 -3.0756 -3.0756 -2.3920 -2.3920 -2.2841 -2.2841 -2.1417 -2.1417 -2.0465 -2.0465 -1.8584 -1.8584 -1.4732 -1.4732 -1.3010 -1.3010 -1.2918 -1.2918 4.6074 4.6074 4.7335 4.7335 4.9722 4.9722 5.0356 5.0356 5.2090 5.2091 k = 0.0000 0.5000 0.3978 ( 7522 PWs) bands (ev): -40.0455 -40.0455 -40.0455 -40.0455 -21.2772 -21.2772 -21.2761 -21.2761 -20.9148 -20.9148 -20.9121 -20.9121 -20.8767 -20.8767 -20.8752 -20.8752 -8.1601 -8.1601 -8.0986 -8.0986 -7.7709 -7.7709 -7.7135 -7.7135 -3.8526 -3.8526 -3.7470 -3.7470 -3.3256 -3.3256 -3.0887 -3.0887 -2.4066 -2.4066 -2.3219 -2.3219 -2.1669 -2.1669 -2.0309 -2.0309 -1.8892 -1.8892 -1.4807 -1.4807 -1.3046 -1.3046 -1.2942 -1.2942 4.5921 4.5921 4.7362 4.7362 5.0070 5.0070 5.0511 5.0511 5.2107 5.2107 k = 0.0000 0.5000 0.4199 ( 7522 PWs) bands (ev): -40.0454 -40.0454 -40.0454 -40.0454 -21.2775 -21.2775 -21.2765 -21.2765 -20.9153 -20.9153 -20.9125 -20.9125 -20.8769 -20.8769 -20.8753 -20.8753 -8.1430 -8.1430 -8.0828 -8.0828 -7.7700 -7.7700 -7.7155 -7.7155 -3.8365 -3.8365 -3.7353 -3.7353 -3.3402 -3.3402 -3.1024 -3.1024 -2.4210 -2.4210 -2.3593 -2.3593 -2.1910 -2.1910 -2.0157 -2.0157 -1.9178 -1.9178 -1.4885 -1.4885 -1.3081 -1.3081 -1.2982 -1.2982 4.5738 4.5738 4.7299 4.7299 5.0453 5.0453 5.0753 5.0753 5.2127 5.2127 k = 0.0000 0.5000 0.4420 ( 7520 PWs) bands (ev): -40.0454 -40.0454 -40.0454 -40.0454 -21.2779 -21.2779 -21.2768 -21.2768 -20.9159 -20.9159 -20.9130 -20.9130 -20.8771 -20.8771 -20.8755 -20.8755 -8.1255 -8.1255 -8.0667 -8.0667 -7.7694 -7.7694 -7.7179 -7.7179 -3.8199 -3.8199 -3.7238 -3.7238 -3.3553 -3.3553 -3.1167 -3.1167 -2.4350 -2.4350 -2.3959 -2.3959 -2.2139 -2.2139 -2.0050 -2.0050 -1.9401 -1.9401 -1.4967 -1.4967 -1.3115 -1.3115 -1.3040 -1.3040 4.5538 4.5538 4.7168 4.7168 5.0854 5.0854 5.1063 5.1063 5.2149 5.2149 k = 0.0000 0.5000 0.4641 ( 7508 PWs) bands (ev): -40.0453 -40.0453 -40.0453 -40.0453 -21.2782 -21.2782 -21.2771 -21.2771 -20.9165 -20.9165 -20.9135 -20.9135 -20.8773 -20.8773 -20.8756 -20.8756 -8.1077 -8.1077 -8.0504 -8.0504 -7.7692 -7.7692 -7.7207 -7.7207 -3.8029 -3.8029 -3.7125 -3.7125 -3.3708 -3.3708 -3.1314 -3.1314 -2.4485 -2.4485 -2.4313 -2.4313 -2.2354 -2.2354 -2.0094 -2.0094 -1.9457 -1.9457 -1.5051 -1.5051 -1.3148 -1.3148 -1.3113 -1.3113 4.5330 4.5330 4.6989 4.6989 5.1260 5.1260 5.1422 5.1422 5.2173 5.2173 k = 0.0000 0.5000 0.4861 ( 7504 PWs) bands (ev): -40.0453 -40.0453 -40.0453 -40.0453 -21.2786 -21.2786 -21.2774 -21.2774 -20.9170 -20.9170 -20.9140 -20.9140 -20.8774 -20.8774 -20.8756 -20.8756 -8.0895 -8.0895 -8.0340 -8.0340 -7.7693 -7.7693 -7.7242 -7.7242 -3.7856 -3.7856 -3.7016 -3.7016 -3.3865 -3.3865 -3.1466 -3.1466 -2.4655 -2.4655 -2.4613 -2.4613 -2.2553 -2.2553 -2.0291 -2.0291 -1.9341 -1.9341 -1.5138 -1.5138 -1.3203 -1.3203 -1.3178 -1.3178 4.5121 4.5121 4.6780 4.6780 5.1648 5.1648 5.1812 5.1812 5.2197 5.2197 k = 0.0000 0.5000 0.5082 ( 7516 PWs) bands (ev): -40.0452 -40.0452 -40.0452 -40.0452 -21.2789 -21.2789 -21.2777 -21.2777 -20.9176 -20.9176 -20.9145 -20.9145 -20.8775 -20.8775 -20.8757 -20.8757 -8.0712 -8.0712 -8.0176 -8.0176 -7.7698 -7.7698 -7.7282 -7.7282 -3.7681 -3.7681 -3.6911 -3.6911 -3.4022 -3.4022 -3.1622 -3.1622 -2.4980 -2.4980 -2.4738 -2.4738 -2.2736 -2.2736 -2.0536 -2.0536 -1.9158 -1.9158 -1.5227 -1.5227 -1.3306 -1.3306 -1.3208 -1.3208 4.4914 4.4914 4.6554 4.6554 5.1976 5.1976 5.2201 5.2201 5.2241 5.2241 k = 0.0000 0.5000 0.5303 ( 7512 PWs) bands (ev): -40.0452 -40.0452 -40.0452 -40.0452 -21.2793 -21.2793 -21.2780 -21.2780 -20.9182 -20.9182 -20.9149 -20.9149 -20.8776 -20.8776 -20.8758 -20.8758 -8.0528 -8.0528 -8.0013 -8.0013 -7.7708 -7.7708 -7.7329 -7.7329 -3.7503 -3.7503 -3.6811 -3.6811 -3.4178 -3.4178 -3.1781 -3.1781 -2.5289 -2.5289 -2.4855 -2.4855 -2.2902 -2.2902 -2.0785 -2.0785 -1.8952 -1.8952 -1.5316 -1.5316 -1.3422 -1.3422 -1.3235 -1.3235 4.4712 4.4712 4.6323 4.6323 5.2166 5.2166 5.2259 5.2259 5.2635 5.2635 k = 0.0000 0.5000 0.5524 ( 7508 PWs) bands (ev): -40.0451 -40.0451 -40.0451 -40.0451 -21.2796 -21.2796 -21.2783 -21.2783 -20.9187 -20.9187 -20.9154 -20.9154 -20.8777 -20.8777 -20.8758 -20.8758 -8.0343 -8.0343 -7.9850 -7.9850 -7.7724 -7.7724 -7.7382 -7.7382 -3.7325 -3.7325 -3.6716 -3.6716 -3.4332 -3.4332 -3.1942 -3.1942 -2.5579 -2.5579 -2.4965 -2.4965 -2.3051 -2.3051 -2.1025 -2.1025 -1.8734 -1.8734 -1.5404 -1.5404 -1.3551 -1.3551 -1.3261 -1.3261 4.4519 4.4519 4.6092 4.6092 5.2218 5.2218 5.2298 5.2298 5.3047 5.3047 k = 0.0000 0.5000 0.5745 ( 7520 PWs) bands (ev): -40.0451 -40.0451 -40.0451 -40.0451 -21.2799 -21.2799 -21.2786 -21.2786 -20.9192 -20.9192 -20.9158 -20.9158 -20.8778 -20.8778 -20.8759 -20.8759 -8.0159 -8.0159 -7.9691 -7.9691 -7.7745 -7.7745 -7.7442 -7.7442 -3.7148 -3.7148 -3.6628 -3.6628 -3.4480 -3.4480 -3.2105 -3.2105 -2.5849 -2.5849 -2.5068 -2.5068 -2.3182 -2.3182 -2.1251 -2.1251 -1.8510 -1.8510 -1.5491 -1.5491 -1.3692 -1.3692 -1.3285 -1.3285 4.4336 4.4336 4.5868 4.5868 5.2227 5.2227 5.2310 5.2310 5.3451 5.3451 k = 0.0000 0.5000 0.5966 ( 7514 PWs) bands (ev): -40.0451 -40.0451 -40.0451 -40.0451 -21.2802 -21.2802 -21.2788 -21.2788 -20.9197 -20.9197 -20.9162 -20.9162 -20.8779 -20.8779 -20.8759 -20.8759 -7.9975 -7.9975 -7.9534 -7.9534 -7.7771 -7.7771 -7.7509 -7.7509 -3.6972 -3.6972 -3.6546 -3.6546 -3.4622 -3.4622 -3.2267 -3.2267 -2.6098 -2.6098 -2.5162 -2.5162 -2.3297 -2.3297 -2.1460 -2.1460 -1.8283 -1.8283 -1.5574 -1.5574 -1.3843 -1.3843 -1.3306 -1.3306 4.4166 4.4166 4.5655 4.5655 5.2215 5.2215 5.2317 5.2317 5.3840 5.3851 k = 0.0000 0.5000 0.6187 ( 7520 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2804 -21.2804 -21.2790 -21.2790 -20.9201 -20.9201 -20.9166 -20.9166 -20.8780 -20.8780 -20.8760 -20.8760 -7.9794 -7.9794 -7.9381 -7.9381 -7.7805 -7.7805 -7.7584 -7.7584 -3.6799 -3.6799 -3.6471 -3.6471 -3.4756 -3.4756 -3.2428 -3.2428 -2.6325 -2.6325 -2.5248 -2.5248 -2.3396 -2.3396 -2.1650 -2.1650 -1.8054 -1.8054 -1.5653 -1.5653 -1.4002 -1.4002 -1.3325 -1.3325 4.4010 4.4010 4.5457 4.5457 5.2189 5.2189 5.2328 5.2328 5.4208 5.4211 k = 0.0000 0.5000 0.6408 ( 7520 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2807 -21.2807 -21.2793 -21.2793 -20.9205 -20.9205 -20.9169 -20.9169 -20.8780 -20.8780 -20.8760 -20.8760 -7.9616 -7.9616 -7.9233 -7.9233 -7.7845 -7.7845 -7.7666 -7.7666 -3.6633 -3.6633 -3.6404 -3.6404 -3.4878 -3.4878 -3.2584 -3.2584 -2.6527 -2.6527 -2.5324 -2.5324 -2.3480 -2.3480 -2.1820 -2.1820 -1.7827 -1.7827 -1.5727 -1.5727 -1.4168 -1.4168 -1.3342 -1.3342 4.3869 4.3869 4.5276 4.5276 5.2159 5.2159 5.2339 5.2339 5.4549 5.4549 k = 0.0000 0.5000 0.6629 ( 7528 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2809 -21.2809 -21.2795 -21.2795 -20.9209 -20.9209 -20.9173 -20.9173 -20.8780 -20.8780 -20.8760 -20.8760 -7.9441 -7.9441 -7.9091 -7.9091 -7.7892 -7.7892 -7.7755 -7.7755 -3.6476 -3.6476 -3.6343 -3.6343 -3.4989 -3.4989 -3.2734 -3.2734 -2.6705 -2.6705 -2.5391 -2.5391 -2.3550 -2.3550 -2.1969 -2.1969 -1.7603 -1.7603 -1.5794 -1.5794 -1.4339 -1.4339 -1.3356 -1.3356 4.3745 4.3745 4.5114 4.5114 5.2129 5.2129 5.2350 5.2350 5.4857 5.4865 k = 0.0000 0.5000 0.6850 ( 7504 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2810 -21.2810 -21.2796 -21.2796 -20.9211 -20.9211 -20.9175 -20.9175 -20.8780 -20.8780 -20.8760 -20.8760 -7.9270 -7.9270 -7.8954 -7.8954 -7.7945 -7.7945 -7.7851 -7.7851 -3.6340 -3.6340 -3.6280 -3.6280 -3.5086 -3.5086 -3.2874 -3.2874 -2.6857 -2.6857 -2.5448 -2.5448 -2.3606 -2.3606 -2.2096 -2.2096 -1.7387 -1.7387 -1.5853 -1.5853 -1.4509 -1.4509 -1.3368 -1.3368 4.3638 4.3638 4.4975 4.4975 5.2101 5.2101 5.2360 5.2360 5.5129 5.5197 k = 0.0000 0.5000 0.7071 ( 7510 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2812 -21.2812 -21.2797 -21.2797 -20.9214 -20.9214 -20.9177 -20.9177 -20.8781 -20.8781 -20.8760 -20.8760 -7.9105 -7.9105 -7.8824 -7.8824 -7.8007 -7.8007 -7.7955 -7.7955 -3.6266 -3.6266 -3.6180 -3.6180 -3.5168 -3.5168 -3.3000 -3.3000 -2.6983 -2.6983 -2.5495 -2.5495 -2.3651 -2.3651 -2.2201 -2.2201 -1.7183 -1.7183 -1.5903 -1.5903 -1.4676 -1.4676 -1.3378 -1.3378 4.3549 4.3549 4.4859 4.4859 5.2077 5.2077 5.2369 5.2369 5.5357 5.5358 k = 0.0000 0.5000 0.7292 ( 7524 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2813 -21.2813 -21.2799 -21.2799 -20.9216 -20.9216 -20.9179 -20.9179 -20.8781 -20.8781 -20.8761 -20.8761 -7.8947 -7.8947 -7.8704 -7.8704 -7.8081 -7.8081 -7.8058 -7.8058 -3.6229 -3.6229 -3.6074 -3.6074 -3.5234 -3.5234 -3.3107 -3.3107 -2.7082 -2.7082 -2.5532 -2.5532 -2.3685 -2.3685 -2.2283 -2.2283 -1.7000 -1.7000 -1.5943 -1.5943 -1.4830 -1.4830 -1.3386 -1.3386 4.3480 4.3480 4.4767 4.4767 5.2058 5.2058 5.2375 5.2375 5.5540 5.5553 k = 0.0000 0.5000 0.7513 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2814 -21.2814 -21.2799 -21.2799 -20.9217 -20.9217 -20.9181 -20.9181 -20.8781 -20.8781 -20.8761 -20.8761 -7.8799 -7.8799 -7.8595 -7.8595 -7.8184 -7.8184 -7.8138 -7.8138 -3.6203 -3.6203 -3.5989 -3.5989 -3.5281 -3.5281 -3.3189 -3.3189 -2.7153 -2.7153 -2.5559 -2.5559 -2.3708 -2.3708 -2.2342 -2.2342 -1.6848 -1.6848 -1.5972 -1.5972 -1.4961 -1.4961 -1.3392 -1.3392 4.3429 4.3429 4.4701 4.4701 5.2044 5.2044 5.2380 5.2380 5.5671 5.5672 k = 0.0000 0.5000 0.7734 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9181 -20.9181 -20.8781 -20.8781 -20.8761 -20.8761 -7.8669 -7.8669 -7.8504 -7.8504 -7.8291 -7.8291 -7.8206 -7.8206 -3.6188 -3.6188 -3.5936 -3.5936 -3.5310 -3.5310 -3.3241 -3.3241 -2.7196 -2.7196 -2.5575 -2.5575 -2.3722 -2.3722 -2.2377 -2.2377 -1.6745 -1.6745 -1.5990 -1.5990 -1.5052 -1.5052 -1.3395 -1.3395 4.3399 4.3399 4.4661 4.4661 5.2035 5.2035 5.2383 5.2383 5.5752 5.5755 k = 0.0000 0.5000 0.7955 ( 7520 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2815 -21.2815 -21.2800 -21.2800 -20.9218 -20.9218 -20.9182 -20.9182 -20.8781 -20.8781 -20.8761 -20.8761 -7.8603 -7.8603 -7.8462 -7.8462 -7.8351 -7.8351 -7.8240 -7.8240 -3.6183 -3.6183 -3.5917 -3.5917 -3.5320 -3.5320 -3.3259 -3.3259 -2.7210 -2.7210 -2.5580 -2.5580 -2.3727 -2.3727 -2.2389 -2.2389 -1.6708 -1.6708 -1.5996 -1.5996 -1.5084 -1.5084 -1.3396 -1.3396 4.3389 4.3389 4.4648 4.4648 5.2032 5.2032 5.2384 5.2384 5.5779 5.5779 k = 0.5000 0.5000-0.0000 ( 7472 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9089 -20.9089 -20.9080 -20.9080 -20.8732 -20.8732 -20.8722 -20.8722 -8.1934 -8.1934 -8.1934 -8.1934 -7.9674 -7.9674 -7.7892 -7.7892 -3.9390 -3.9390 -3.9389 -3.9389 -3.3982 -3.3982 -2.5937 -2.5937 -1.9996 -1.9996 -1.8737 -1.8737 -1.8735 -1.8735 -1.8428 -1.8428 -1.8142 -1.8142 -1.4867 -1.4867 -1.4202 -1.4202 -1.4202 -1.4202 4.2592 4.2592 4.2595 4.2595 4.9723 4.9723 5.0662 5.0662 5.3108 5.3112 k = 0.5000 0.5000 0.0221 ( 7464 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2728 -21.2728 -20.9089 -20.9089 -20.9080 -20.9080 -20.8732 -20.8732 -20.8722 -20.8722 -8.1929 -8.1929 -8.1928 -8.1928 -7.9671 -7.9671 -7.7890 -7.7890 -3.9387 -3.9387 -3.9387 -3.9387 -3.3982 -3.3982 -2.5943 -2.5943 -2.0024 -2.0024 -1.8743 -1.8743 -1.8742 -1.8742 -1.8520 -1.8520 -1.8059 -1.8059 -1.4843 -1.4843 -1.4210 -1.4210 -1.4210 -1.4210 4.2612 4.2612 4.2614 4.2614 4.9722 4.9722 5.0654 5.0654 5.3099 5.3105 k = 0.5000 0.5000 0.0442 ( 7472 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2730 -21.2730 -21.2729 -21.2729 -20.9089 -20.9089 -20.9081 -20.9081 -20.8732 -20.8732 -20.8723 -20.8723 -8.1913 -8.1913 -8.1913 -8.1913 -7.9663 -7.9663 -7.7886 -7.7886 -3.9381 -3.9381 -3.9381 -3.9381 -3.3985 -3.3985 -2.5963 -2.5963 -2.0107 -2.0107 -1.8764 -1.8764 -1.8762 -1.8762 -1.8692 -1.8692 -1.7915 -1.7915 -1.4777 -1.4777 -1.4235 -1.4235 -1.4235 -1.4235 4.2669 4.2669 4.2671 4.2671 4.9719 4.9719 5.0629 5.0629 5.3084 5.3106 k = 0.5000 0.5000 0.0663 ( 7484 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2731 -21.2731 -21.2729 -21.2729 -20.9090 -20.9090 -20.9082 -20.9082 -20.8733 -20.8733 -20.8724 -20.8724 -8.1888 -8.1888 -8.1888 -8.1888 -7.9650 -7.9650 -7.7879 -7.7879 -3.9371 -3.9371 -3.9371 -3.9371 -3.3988 -3.3988 -2.5997 -2.5997 -2.0239 -2.0239 -1.8891 -1.8891 -1.8798 -1.8798 -1.8796 -1.8796 -1.7764 -1.7764 -1.4671 -1.4671 -1.4275 -1.4275 -1.4275 -1.4275 4.2763 4.2763 4.2766 4.2766 4.9715 4.9715 5.0588 5.0588 5.3027 5.3030 k = 0.5000 0.5000 0.0884 ( 7492 PWs) bands (ev): -40.0460 -40.0460 -40.0460 -40.0460 -21.2732 -21.2732 -21.2730 -21.2730 -20.9091 -20.9091 -20.9083 -20.9083 -20.8734 -20.8734 -20.8725 -20.8725 -8.1852 -8.1852 -8.1852 -8.1852 -7.9632 -7.9632 -7.7870 -7.7870 -3.9357 -3.9357 -3.9356 -3.9356 -3.3993 -3.3993 -2.6043 -2.6043 -2.0414 -2.0414 -1.9105 -1.9105 -1.8846 -1.8846 -1.8845 -1.8845 -1.7614 -1.7614 -1.4532 -1.4532 -1.4330 -1.4330 -1.4329 -1.4329 4.2895 4.2895 4.2898 4.2898 4.9710 4.9710 5.0531 5.0531 5.2967 5.2994 k = 0.5000 0.5000 0.1105 ( 7484 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2733 -21.2733 -21.2732 -21.2732 -20.9092 -20.9092 -20.9084 -20.9084 -20.8736 -20.8736 -20.8726 -20.8726 -8.1807 -8.1807 -8.1807 -8.1807 -7.9608 -7.9608 -7.7857 -7.7857 -3.9339 -3.9339 -3.9338 -3.9338 -3.3999 -3.3999 -2.6102 -2.6102 -2.0624 -2.0624 -1.9333 -1.9333 -1.8910 -1.8910 -1.8908 -1.8908 -1.7467 -1.7467 -1.4396 -1.4396 -1.4396 -1.4396 -1.4368 -1.4368 4.3062 4.3062 4.3065 4.3065 4.9704 4.9704 5.0460 5.0460 5.2887 5.2896 k = 0.5000 0.5000 0.1326 ( 7476 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2734 -21.2734 -21.2733 -21.2733 -20.9094 -20.9094 -20.9086 -20.9086 -20.8737 -20.8737 -20.8728 -20.8728 -8.1752 -8.1752 -8.1752 -8.1752 -7.9580 -7.9580 -7.7843 -7.7843 -3.9318 -3.9318 -3.9317 -3.9317 -3.4006 -3.4006 -2.6173 -2.6173 -2.0861 -2.0861 -1.9576 -1.9576 -1.8989 -1.8989 -1.8988 -1.8988 -1.7323 -1.7323 -1.4472 -1.4472 -1.4471 -1.4471 -1.4186 -1.4186 4.3263 4.3263 4.3266 4.3266 4.9699 4.9699 5.0376 5.0376 5.2791 5.2813 k = 0.5000 0.5000 0.1547 ( 7504 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2737 -21.2737 -21.2735 -21.2735 -20.9096 -20.9096 -20.9089 -20.9089 -20.8739 -20.8739 -20.8730 -20.8730 -8.1688 -8.1688 -8.1688 -8.1688 -7.9547 -7.9547 -7.7826 -7.7826 -3.9294 -3.9294 -3.9294 -3.9294 -3.4014 -3.4014 -2.6258 -2.6258 -2.1120 -2.1120 -1.9832 -1.9832 -1.9085 -1.9085 -1.9084 -1.9084 -1.7180 -1.7180 -1.4555 -1.4555 -1.4554 -1.4554 -1.3993 -1.3993 4.3496 4.3496 4.3500 4.3500 4.9692 4.9692 5.0279 5.0279 5.2668 5.2687 k = 0.5000 0.5000 0.1768 ( 7532 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2739 -21.2739 -21.2737 -21.2737 -20.9099 -20.9099 -20.9091 -20.9091 -20.8741 -20.8741 -20.8732 -20.8732 -8.1616 -8.1616 -8.1616 -8.1616 -7.9510 -7.9510 -7.7807 -7.7807 -3.9268 -3.9268 -3.9268 -3.9268 -3.4023 -3.4023 -2.6353 -2.6353 -2.1395 -2.1395 -2.0101 -2.0101 -1.9198 -1.9198 -1.9197 -1.9197 -1.7039 -1.7039 -1.4642 -1.4642 -1.4641 -1.4641 -1.3795 -1.3795 4.3760 4.3760 4.3764 4.3764 4.9686 4.9686 5.0171 5.0171 5.2551 5.2558 k = 0.5000 0.5000 0.1989 ( 7524 PWs) bands (ev): -40.0459 -40.0459 -40.0459 -40.0459 -21.2741 -21.2741 -21.2739 -21.2739 -20.9102 -20.9102 -20.9094 -20.9094 -20.8743 -20.8743 -20.8735 -20.8735 -8.1535 -8.1535 -8.1534 -8.1534 -7.9467 -7.9467 -7.7786 -7.7786 -3.9240 -3.9240 -3.9240 -3.9240 -3.4031 -3.4031 -2.6460 -2.6460 -2.1680 -2.1680 -2.0381 -2.0381 -1.9328 -1.9328 -1.9327 -1.9327 -1.6897 -1.6897 -1.4730 -1.4730 -1.4729 -1.4729 -1.3593 -1.3593 4.4052 4.4052 4.4057 4.4057 4.9680 4.9680 5.0055 5.0055 5.2394 5.2399 k = 0.5000 0.5000 0.2210 ( 7508 PWs) bands (ev): -40.0458 -40.0458 -40.0458 -40.0458 -21.2743 -21.2743 -21.2742 -21.2742 -20.9104 -20.9104 -20.9097 -20.9097 -20.8745 -20.8745 -20.8737 -20.8737 -8.1446 -8.1446 -8.1446 -8.1446 -7.9420 -7.9420 -7.7763 -7.7763 -3.9211 -3.9211 -3.9210 -3.9210 -3.4038 -3.4038 -2.6578 -2.6578 -2.1973 -2.1973 -2.0672 -2.0672 -1.9475 -1.9475 -1.9475 -1.9475 -1.6755 -1.6755 -1.4817 -1.4817 -1.4816 -1.4816 -1.3394 -1.3394 4.4370 4.4370 4.4376 4.4376 4.9674 4.9674 4.9931 4.9931 5.2237 5.2260 k = 0.5000 0.5000 0.2431 ( 7520 PWs) bands (ev): -40.0458 -40.0458 -40.0458 -40.0458 -21.2746 -21.2746 -21.2744 -21.2744 -20.9108 -20.9108 -20.9100 -20.9100 -20.8748 -20.8748 -20.8739 -20.8739 -8.1350 -8.1350 -8.1349 -8.1349 -7.9369 -7.9369 -7.7740 -7.7740 -3.9181 -3.9181 -3.9180 -3.9180 -3.4045 -3.4045 -2.6707 -2.6707 -2.2269 -2.2269 -2.0974 -2.0974 -1.9639 -1.9639 -1.9639 -1.9639 -1.6611 -1.6611 -1.4901 -1.4901 -1.4900 -1.4900 -1.3200 -1.3200 4.4711 4.4711 4.4718 4.4718 4.9667 4.9667 4.9801 4.9801 5.2056 5.2084 k = 0.5000 0.5000 0.2652 ( 7512 PWs) bands (ev): -40.0457 -40.0457 -40.0457 -40.0457 -21.2748 -21.2748 -21.2747 -21.2747 -20.9111 -20.9111 -20.9104 -20.9104 -20.8750 -20.8750 -20.8742 -20.8742 -8.1247 -8.1247 -8.1246 -8.1246 -7.9314 -7.9314 -7.7715 -7.7715 -3.9151 -3.9151 -3.9150 -3.9150 -3.4050 -3.4050 -2.6846 -2.6846 -2.2565 -2.2565 -2.1283 -2.1283 -1.9819 -1.9819 -1.9819 -1.9819 -1.6465 -1.6465 -1.4979 -1.4979 -1.4978 -1.4978 -1.3013 -1.3013 4.5075 4.5075 4.5082 4.5082 4.9657 4.9657 4.9667 4.9667 5.1868 5.1889 k = 0.5000 0.5000 0.2873 ( 7512 PWs) bands (ev): -40.0457 -40.0457 -40.0457 -40.0457 -21.2751 -21.2751 -21.2750 -21.2750 -20.9115 -20.9115 -20.9108 -20.9108 -20.8752 -20.8752 -20.8744 -20.8744 -8.1138 -8.1138 -8.1137 -8.1137 -7.9255 -7.9255 -7.7690 -7.7690 -3.9122 -3.9122 -3.9121 -3.9121 -3.4053 -3.4053 -2.6995 -2.6995 -2.2860 -2.2860 -2.1600 -2.1600 -2.0014 -2.0014 -2.0013 -2.0013 -1.6318 -1.6318 -1.5052 -1.5052 -1.5050 -1.5050 -1.2836 -1.2836 4.5456 4.5456 4.5464 4.5464 4.9531 4.9531 4.9645 4.9645 5.1676 5.1680 k = 0.5000 0.5000 0.3094 ( 7516 PWs) bands (ev): -40.0456 -40.0456 -40.0456 -40.0456 -21.2754 -21.2754 -21.2753 -21.2753 -20.9119 -20.9119 -20.9112 -20.9112 -20.8754 -20.8754 -20.8747 -20.8747 -8.1023 -8.1023 -8.1023 -8.1023 -7.9193 -7.9193 -7.7664 -7.7664 -3.9094 -3.9094 -3.9094 -3.9094 -3.4053 -3.4053 -2.7154 -2.7154 -2.3151 -2.3151 -2.1922 -2.1922 -2.0220 -2.0220 -2.0220 -2.0220 -1.6168 -1.6168 -1.5117 -1.5117 -1.5115 -1.5115 -1.2669 -1.2669 4.5851 4.5851 4.5861 4.5861 4.9394 4.9394 4.9628 4.9628 5.1476 5.1479 k = 0.5000 0.5000 0.3315 ( 7484 PWs) bands (ev): -40.0456 -40.0456 -40.0456 -40.0456 -21.2757 -21.2757 -21.2756 -21.2756 -20.9123 -20.9123 -20.9117 -20.9117 -20.8756 -20.8756 -20.8749 -20.8749 -8.0904 -8.0904 -8.0904 -8.0904 -7.9128 -7.9128 -7.7638 -7.7638 -3.9068 -3.9068 -3.9068 -3.9068 -3.4050 -3.4050 -2.7321 -2.7321 -2.3436 -2.3436 -2.2247 -2.2247 -2.0436 -2.0436 -2.0435 -2.0435 -1.6014 -1.6014 -1.5174 -1.5174 -1.5173 -1.5173 -1.2514 -1.2514 4.6259 4.6259 4.6269 4.6269 4.9259 4.9259 4.9608 4.9608 5.1277 5.1279 k = 0.5000 0.5000 0.3536 ( 7504 PWs) bands (ev): -40.0456 -40.0456 -40.0456 -40.0456 -21.2760 -21.2760 -21.2759 -21.2759 -20.9128 -20.9128 -20.9122 -20.9122 -20.8758 -20.8758 -20.8751 -20.8751 -8.0782 -8.0782 -8.0782 -8.0782 -7.9060 -7.9060 -7.7613 -7.7613 -3.9046 -3.9046 -3.9045 -3.9045 -3.4044 -3.4044 -2.7498 -2.7498 -2.3715 -2.3715 -2.2573 -2.2573 -2.0659 -2.0659 -2.0659 -2.0659 -1.5859 -1.5859 -1.5225 -1.5225 -1.5223 -1.5223 -1.2373 -1.2373 4.6671 4.6671 4.6683 4.6683 4.9126 4.9126 4.9580 4.9580 5.1080 5.1097 k = 0.5000 0.5000 0.3757 ( 7488 PWs) bands (ev): -40.0455 -40.0455 -40.0455 -40.0455 -21.2763 -21.2763 -21.2762 -21.2762 -20.9132 -20.9132 -20.9127 -20.9127 -20.8760 -20.8760 -20.8753 -20.8753 -8.0656 -8.0656 -8.0656 -8.0656 -7.8989 -7.8989 -7.7587 -7.7587 -3.9026 -3.9026 -3.9026 -3.9026 -3.4033 -3.4033 -2.7683 -2.7683 -2.3986 -2.3986 -2.2897 -2.2897 -2.0887 -2.0887 -2.0886 -2.0886 -1.5701 -1.5701 -1.5268 -1.5268 -1.5266 -1.5266 -1.2246 -1.2246 4.7084 4.7084 4.7097 4.7097 4.8997 4.8997 4.9547 4.9547 5.0895 5.0898 k = 0.5000 0.5000 0.3978 ( 7472 PWs) bands (ev): -40.0454 -40.0454 -40.0454 -40.0454 -21.2767 -21.2767 -21.2766 -21.2766 -20.9137 -20.9137 -20.9132 -20.9132 -20.8762 -20.8762 -20.8755 -20.8755 -8.0528 -8.0528 -8.0528 -8.0528 -7.8917 -7.8917 -7.7563 -7.7563 -3.9010 -3.9010 -3.9010 -3.9010 -3.4016 -3.4016 -2.7877 -2.7877 -2.4246 -2.4246 -2.3218 -2.3218 -2.1115 -2.1115 -2.1114 -2.1114 -1.5539 -1.5539 -1.5305 -1.5305 -1.5303 -1.5303 -1.2133 -1.2133 4.7485 4.7485 4.7500 4.7500 4.8873 4.8873 4.9507 4.9507 5.0729 5.0729 k = 0.5000 0.5000 0.4199 ( 7472 PWs) bands (ev): -40.0454 -40.0454 -40.0454 -40.0454 -21.2770 -21.2770 -21.2769 -21.2769 -20.9142 -20.9142 -20.9137 -20.9137 -20.8763 -20.8763 -20.8757 -20.8757 -8.0400 -8.0400 -8.0400 -8.0400 -7.8843 -7.8843 -7.7541 -7.7541 -3.8998 -3.8998 -3.8998 -3.8998 -3.3994 -3.3994 -2.8079 -2.8079 -2.4496 -2.4496 -2.3534 -2.3534 -2.1343 -2.1343 -2.1342 -2.1342 -1.5376 -1.5376 -1.5335 -1.5335 -1.5334 -1.5334 -1.2036 -1.2036 4.7857 4.7857 4.7873 4.7873 4.8756 4.8756 4.9459 4.9459 5.0603 5.0603 k = 0.5000 0.5000 0.4420 ( 7492 PWs) bands (ev): -40.0454 -40.0454 -40.0454 -40.0454 -21.2774 -21.2774 -21.2773 -21.2773 -20.9147 -20.9147 -20.9143 -20.9143 -20.8765 -20.8765 -20.8759 -20.8759 -8.0272 -8.0272 -8.0272 -8.0272 -7.8767 -7.8767 -7.7521 -7.7521 -3.8990 -3.8990 -3.8990 -3.8990 -3.3965 -3.3965 -2.8290 -2.8290 -2.4735 -2.4735 -2.3841 -2.3841 -2.1566 -2.1566 -2.1565 -2.1565 -1.5362 -1.5362 -1.5360 -1.5360 -1.5209 -1.5209 -1.1955 -1.1955 4.8173 4.8173 4.8190 4.8190 4.8647 4.8647 4.9405 4.9405 5.0544 5.0544 k = 0.5000 0.5000 0.4641 ( 7500 PWs) bands (ev): -40.0453 -40.0453 -40.0453 -40.0453 -21.2777 -21.2777 -21.2776 -21.2776 -20.9153 -20.9153 -20.9148 -20.9148 -20.8766 -20.8766 -20.8761 -20.8761 -8.0144 -8.0144 -8.0144 -8.0144 -7.8690 -7.8690 -7.7503 -7.7503 -3.8987 -3.8987 -3.8987 -3.8987 -3.3929 -3.3929 -2.8508 -2.8508 -2.4961 -2.4961 -2.4138 -2.4138 -2.1784 -2.1784 -2.1782 -2.1782 -1.5383 -1.5383 -1.5381 -1.5381 -1.5041 -1.5041 -1.1889 -1.1889 4.8398 4.8398 4.8413 4.8413 4.8546 4.8546 4.9344 4.9344 5.0604 5.0614 k = 0.5000 0.5000 0.4861 ( 7508 PWs) bands (ev): -40.0453 -40.0453 -40.0453 -40.0453 -21.2780 -21.2780 -21.2780 -21.2780 -20.9158 -20.9158 -20.9154 -20.9154 -20.8767 -20.8767 -20.8762 -20.8762 -8.0018 -8.0018 -8.0018 -8.0018 -7.8613 -7.8613 -7.7487 -7.7487 -3.8989 -3.8989 -3.8989 -3.8989 -3.3884 -3.3884 -2.8734 -2.8734 -2.5174 -2.5174 -2.4422 -2.4422 -2.1992 -2.1992 -2.1991 -2.1991 -1.5401 -1.5401 -1.5399 -1.5399 -1.4871 -1.4871 -1.1838 -1.1838 4.8452 4.8452 4.8506 4.8506 4.8519 4.8519 4.9278 4.9278 5.0766 5.0766 k = 0.5000 0.5000 0.5082 ( 7516 PWs) bands (ev): -40.0452 -40.0452 -40.0452 -40.0452 -21.2784 -21.2784 -21.2783 -21.2783 -20.9163 -20.9163 -20.9159 -20.9159 -20.8768 -20.8768 -20.8764 -20.8764 -7.9896 -7.9896 -7.9896 -7.9896 -7.8535 -7.8535 -7.7475 -7.7475 -3.8995 -3.8995 -3.8995 -3.8995 -3.3831 -3.3831 -2.8967 -2.8967 -2.5373 -2.5373 -2.4693 -2.4693 -2.2190 -2.2190 -2.2189 -2.2189 -1.5415 -1.5415 -1.5413 -1.5413 -1.4699 -1.4699 -1.1804 -1.1804 4.8370 4.8370 4.8508 4.8508 4.8516 4.8516 4.9206 4.9206 5.1060 5.1063 k = 0.5000 0.5000 0.5303 ( 7516 PWs) bands (ev): -40.0452 -40.0452 -40.0452 -40.0452 -21.2787 -21.2787 -21.2786 -21.2786 -20.9168 -20.9168 -20.9164 -20.9164 -20.8769 -20.8769 -20.8765 -20.8765 -7.9777 -7.9777 -7.9777 -7.9777 -7.8458 -7.8458 -7.7465 -7.7465 -3.9004 -3.9004 -3.9004 -3.9004 -3.3768 -3.3768 -2.9206 -2.9206 -2.5558 -2.5558 -2.4947 -2.4947 -2.2376 -2.2376 -2.2375 -2.2375 -1.5426 -1.5426 -1.5424 -1.5424 -1.4527 -1.4527 -1.1785 -1.1785 4.8297 4.8297 4.8437 4.8437 4.8443 4.8443 4.9130 4.9130 5.1436 5.1437 k = 0.5000 0.5000 0.5524 ( 7516 PWs) bands (ev): -40.0451 -40.0451 -40.0451 -40.0451 -21.2790 -21.2790 -21.2789 -21.2789 -20.9172 -20.9172 -20.9169 -20.9169 -20.8770 -20.8770 -20.8766 -20.8766 -7.9663 -7.9663 -7.9663 -7.9663 -7.8381 -7.8381 -7.7459 -7.7459 -3.9017 -3.9017 -3.9017 -3.9017 -3.3695 -3.3695 -2.9451 -2.9451 -2.5729 -2.5729 -2.5184 -2.5184 -2.2549 -2.2549 -2.2548 -2.2548 -1.5435 -1.5435 -1.5434 -1.5434 -1.4354 -1.4354 -1.1781 -1.1781 4.8232 4.8232 4.8326 4.8326 4.8333 4.8334 4.9051 4.9051 5.1863 5.1865 k = 0.5000 0.5000 0.5745 ( 7520 PWs) bands (ev): -40.0451 -40.0451 -40.0451 -40.0451 -21.2793 -21.2793 -21.2792 -21.2792 -20.9177 -20.9177 -20.9174 -20.9174 -20.8770 -20.8770 -20.8767 -20.8767 -7.9556 -7.9556 -7.9556 -7.9556 -7.8304 -7.8304 -7.7456 -7.7456 -3.9033 -3.9033 -3.9033 -3.9033 -3.3611 -3.3611 -2.9700 -2.9700 -2.5884 -2.5884 -2.5403 -2.5403 -2.2707 -2.2707 -2.2706 -2.2706 -1.5443 -1.5443 -1.5441 -1.5441 -1.4181 -1.4181 -1.1791 -1.1791 4.8161 4.8161 4.8196 4.8196 4.8223 4.8223 4.8969 4.8969 5.2313 5.2314 k = 0.5000 0.5000 0.5966 ( 7524 PWs) bands (ev): -40.0451 -40.0451 -40.0451 -40.0451 -21.2795 -21.2795 -21.2795 -21.2795 -20.9181 -20.9181 -20.9179 -20.9179 -20.8771 -20.8771 -20.8768 -20.8768 -7.9455 -7.9455 -7.9455 -7.9455 -7.8230 -7.8230 -7.7458 -7.7458 -3.9052 -3.9052 -3.9052 -3.9052 -3.3516 -3.3516 -2.9953 -2.9953 -2.6023 -2.6023 -2.5603 -2.5603 -2.2851 -2.2851 -2.2850 -2.2850 -1.5449 -1.5449 -1.5447 -1.5447 -1.4009 -1.4009 -1.1817 -1.1817 4.8047 4.8047 4.8061 4.8061 4.8161 4.8161 4.8887 4.8887 5.2775 5.2776 k = 0.5000 0.5000 0.6187 ( 7508 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2798 -21.2798 -21.2797 -21.2797 -20.9185 -20.9185 -20.9183 -20.9183 -20.8771 -20.8771 -20.8768 -20.8768 -7.9361 -7.9361 -7.9361 -7.9361 -7.8156 -7.8156 -7.7463 -7.7463 -3.9071 -3.9071 -3.9071 -3.9071 -3.3409 -3.3409 -3.0207 -3.0207 -2.6147 -2.6147 -2.5784 -2.5784 -2.2980 -2.2980 -2.2979 -2.2979 -1.5453 -1.5453 -1.5452 -1.5452 -1.3838 -1.3838 -1.1856 -1.1856 4.7919 4.7919 4.7928 4.7928 4.8129 4.8129 4.8805 4.8805 5.3237 5.3239 k = 0.5000 0.5000 0.6408 ( 7500 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2800 -21.2800 -21.2799 -21.2799 -20.9188 -20.9188 -20.9186 -20.9186 -20.8771 -20.8771 -20.8769 -20.8769 -7.9277 -7.9277 -7.9277 -7.9277 -7.8085 -7.8085 -7.7473 -7.7473 -3.9091 -3.9091 -3.9091 -3.9091 -3.3291 -3.3291 -3.0461 -3.0461 -2.6255 -2.6255 -2.5945 -2.5945 -2.3093 -2.3093 -2.3092 -2.3092 -1.5456 -1.5456 -1.5455 -1.5455 -1.3669 -1.3669 -1.1908 -1.1908 4.7796 4.7796 4.7803 4.7803 4.8109 4.8109 4.8724 4.8724 5.3694 5.3695 k = 0.5000 0.5000 0.6629 ( 7516 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2802 -21.2802 -21.2801 -21.2801 -20.9192 -20.9192 -20.9190 -20.9190 -20.8771 -20.8771 -20.8769 -20.8769 -7.9202 -7.9202 -7.9202 -7.9202 -7.8017 -7.8017 -7.7488 -7.7488 -3.9111 -3.9111 -3.9111 -3.9111 -3.3160 -3.3160 -3.0714 -3.0714 -2.6346 -2.6346 -2.6087 -2.6087 -2.3191 -2.3191 -2.3190 -2.3190 -1.5459 -1.5459 -1.5458 -1.5458 -1.3503 -1.3503 -1.1974 -1.1974 4.7684 4.7684 4.7690 4.7690 4.8100 4.8100 4.8644 4.8644 5.4132 5.4137 k = 0.5000 0.5000 0.6850 ( 7516 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2803 -21.2803 -21.2803 -21.2803 -20.9194 -20.9194 -20.9193 -20.9193 -20.8771 -20.8771 -20.8770 -20.8770 -7.9137 -7.9137 -7.9137 -7.9137 -7.7951 -7.7951 -7.7508 -7.7508 -3.9129 -3.9129 -3.9129 -3.9129 -3.3017 -3.3017 -3.0964 -3.0964 -2.6421 -2.6421 -2.6209 -2.6209 -2.3273 -2.3273 -2.3272 -2.3272 -1.5462 -1.5462 -1.5461 -1.5461 -1.3339 -1.3339 -1.2051 -1.2051 4.7586 4.7586 4.7591 4.7591 4.8102 4.8102 4.8566 4.8566 5.4545 5.4550 k = 0.5000 0.5000 0.7071 ( 7532 PWs) bands (ev): -40.0450 -40.0450 -40.0450 -40.0450 -21.2805 -21.2805 -21.2805 -21.2805 -20.9197 -20.9197 -20.9195 -20.9195 -20.8772 -20.8772 -20.8770 -20.8770 -7.9084 -7.9084 -7.9084 -7.9084 -7.7889 -7.7889 -7.7532 -7.7532 -3.9146 -3.9146 -3.9146 -3.9146 -3.2861 -3.2861 -3.1209 -3.1209 -2.6479 -2.6479 -2.6312 -2.6312 -2.3340 -2.3340 -2.3339 -2.3339 -1.5463 -1.5463 -1.5463 -1.5463 -1.3180 -1.3180 -1.2141 -1.2141 4.7503 4.7503 4.7507 4.7507 4.8113 4.8113 4.8493 4.8493 5.4920 5.4924 k = 0.5000 0.5000 0.7292 ( 7536 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2806 -21.2806 -21.2806 -21.2806 -20.9198 -20.9198 -20.9197 -20.9197 -20.8772 -20.8772 -20.8771 -20.8771 -7.9042 -7.9042 -7.9042 -7.9042 -7.7830 -7.7830 -7.7561 -7.7561 -3.9159 -3.9159 -3.9159 -3.9159 -3.2693 -3.2693 -3.1449 -3.1449 -2.6520 -2.6520 -2.6397 -2.6397 -2.3392 -2.3392 -2.3391 -2.3391 -1.5465 -1.5465 -1.5464 -1.5464 -1.3026 -1.3026 -1.2241 -1.2241 4.7438 4.7438 4.7441 4.7441 4.8134 4.8134 4.8423 4.8423 5.5243 5.5247 k = 0.5000 0.5000 0.7513 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2807 -21.2807 -21.2807 -21.2807 -20.9199 -20.9199 -20.9199 -20.9199 -20.8772 -20.8772 -20.8771 -20.8771 -7.9011 -7.9011 -7.9011 -7.9011 -7.7774 -7.7774 -7.7595 -7.7595 -3.9169 -3.9169 -3.9169 -3.9169 -3.2513 -3.2513 -3.1680 -3.1680 -2.6543 -2.6543 -2.6462 -2.6462 -2.3429 -2.3429 -2.3428 -2.3428 -1.5465 -1.5465 -1.5465 -1.5465 -1.2876 -1.2876 -1.2351 -1.2351 4.7391 4.7391 4.7393 4.7393 4.8164 4.8164 4.8358 4.8358 5.5494 5.5497 k = 0.5000 0.5000 0.7734 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2807 -21.2807 -21.2807 -21.2807 -20.9200 -20.9200 -20.9200 -20.9200 -20.8771 -20.8771 -20.8771 -20.8771 -7.8993 -7.8993 -7.8993 -7.8993 -7.7723 -7.7723 -7.7633 -7.7633 -3.9175 -3.9175 -3.9175 -3.9175 -3.2321 -3.2321 -3.1904 -3.1904 -2.6550 -2.6550 -2.6509 -2.6509 -2.3451 -2.3451 -2.3450 -2.3450 -1.5466 -1.5466 -1.5465 -1.5465 -1.2734 -1.2734 -1.2470 -1.2470 4.7363 4.7363 4.7364 4.7364 4.8202 4.8202 4.8299 4.8299 5.5656 5.5658 k = 0.5000 0.5000 0.7955 ( 7528 PWs) bands (ev): -40.0449 -40.0449 -40.0449 -40.0449 -21.2807 -21.2807 -21.2807 -21.2807 -20.9200 -20.9200 -20.9200 -20.9200 -20.8771 -20.8771 -20.8771 -20.8771 -7.8986 -7.8986 -7.8986 -7.8986 -7.7676 -7.7676 -7.7676 -7.7676 -3.9178 -3.9178 -3.9178 -3.9178 -3.2117 -3.2117 -3.2117 -3.2117 -2.6538 -2.6538 -2.6538 -2.6538 -2.3458 -2.3458 -2.3458 -2.3458 -1.5466 -1.5466 -1.5466 -1.5466 -1.2598 -1.2598 -1.2598 -1.2598 4.7354 4.7354 4.7354 4.7354 4.8247 4.8247 4.8247 4.8247 5.5713 5.5713 Writing output data file CaxBH4x2.save init_run : 1.11s CPU 0.70s WALL ( 1 calls) electrons : 562.50s CPU 462.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 562.49s CPU 462.07s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.41s CPU 0.36s WALL ( 273 calls) cegterg : 510.00s CPU 431.68s WALL ( 999 calls) Called by sum_band: Called by *egterg: h_psi : 295.39s CPU 211.43s WALL ( 19333 calls) s_psi : 14.94s CPU 11.84s WALL ( 19333 calls) g_psi : 0.78s CPU 0.72s WALL ( 18061 calls) cdiaghg : 176.10s CPU 168.89s WALL ( 18334 calls) cegterg:over : 22.60s CPU 21.30s WALL ( 18061 calls) cegterg:upda : 25.74s CPU 24.50s WALL ( 18061 calls) cegterg:last : 8.33s CPU 8.30s WALL ( 1994 calls) cdiaghg:chol : 9.21s CPU 9.68s WALL ( 18334 calls) cdiaghg:inve : 6.77s CPU 6.50s WALL ( 18334 calls) cdiaghg:para : 9.89s CPU 10.10s WALL ( 36668 calls) Called by h_psi: h_psi:vloc : 257.50s CPU 179.62s WALL ( 19333 calls) h_psi:vnl : 36.80s CPU 30.91s WALL ( 19333 calls) add_vuspsi : 18.22s CPU 14.93s WALL ( 19333 calls) General routines calbec : 18.49s CPU 15.91s WALL ( 19333 calls) fft : 0.06s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 241.24s CPU 165.16s WALL ( 1379008 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.31s CPU 1.17s WALL ( 546 calls) Parallel routines fft_scatter : 80.30s CPU 66.88s WALL ( 1379031 calls) PWSCF : 9m45.22s CPU 8m17.05s WALL This run was terminated on: 18:57: 6 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=