Program PWSCF v.5.4.0 starts on 3Aug2017 at 18:58: 2 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: ./MgxBH4x2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 90 55 15 4360 2069 313 Max 91 56 16 4365 2100 320 Sum 3241 1993 561 157017 75001 11367 bravais-lattice index = 14 lattice parameter (alat) = 10.2727 a.u. unit-cell volume = 1225.8024 (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 = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.272739 celldm(2)= 1.000000 celldm(3)= 1.130737 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 1.130737 ) 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 0.884379 ) 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 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) Mg 10.00 24.30500 Mg( 1.00) B 3.00 10.81100 B( 1.00) 4 Sym. Ops. (no inversion) found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 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 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] s_v -s_v 3 -3 inv. 180 deg rotation - cart. axis [1,1,0] s_v'-s_v' 4 -4 inv. 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0035088 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0035088 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0035088 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0035088 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0035088 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0035088 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0035088 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0035088 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0035088 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0035088 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0035088 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0035088 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0035088 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0035088 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0035088 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0035088 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0035088 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0035088 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0035088 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0035088 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0035088 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0035088 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0035088 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0035088 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0035088 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0035088 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0035088 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0035088 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0035088 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0035088 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0035088 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0035088 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0035088 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0035088 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0035088 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0035088 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0035088 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0035088 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0035088 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0035088 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0035088 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0035088 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0035088 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0035088 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0035088 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0035088 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0035088 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0035088 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0035088 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0035088 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0035088 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0035088 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0035088 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0035088 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0035088 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0035088 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0035088 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0035088 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0035088 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0035088 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0035088 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0035088 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0035088 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0035088 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0035088 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0035088 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0035088 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0035088 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0035088 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0035088 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0035088 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0035088 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0035088 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0035088 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0035088 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0035088 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0035088 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0035088 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0035088 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0035088 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0035088 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0035088 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0035088 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0035088 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0035088 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0035088 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0035088 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0035088 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0035088 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0035088 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0035088 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0035088 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0035088 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0035088 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0035088 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0035088 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 104) = ( 0.0000000 0.0000000 0.0170073), wk = 0.0035088 k( 105) = ( 0.0000000 0.0000000 0.0340146), wk = 0.0035088 k( 106) = ( 0.0000000 0.0000000 0.0510219), wk = 0.0035088 k( 107) = ( 0.0000000 0.0000000 0.0680291), wk = 0.0035088 k( 108) = ( 0.0000000 0.0000000 0.0850364), wk = 0.0035088 k( 109) = ( 0.0000000 0.0000000 0.1020437), wk = 0.0035088 k( 110) = ( 0.0000000 0.0000000 0.1190510), wk = 0.0035088 k( 111) = ( 0.0000000 0.0000000 0.1360583), wk = 0.0035088 k( 112) = ( 0.0000000 0.0000000 0.1530656), wk = 0.0035088 k( 113) = ( 0.0000000 0.0000000 0.1700729), wk = 0.0035088 k( 114) = ( 0.0000000 0.0000000 0.1870801), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.2040874), wk = 0.0035088 k( 116) = ( 0.0000000 0.0000000 0.2210947), wk = 0.0035088 k( 117) = ( 0.0000000 0.0000000 0.2381020), wk = 0.0035088 k( 118) = ( 0.0000000 0.0000000 0.2551093), wk = 0.0035088 k( 119) = ( 0.0000000 0.0000000 0.2721166), wk = 0.0035088 k( 120) = ( 0.0000000 0.0000000 0.2891239), wk = 0.0035088 k( 121) = ( 0.0000000 0.0000000 0.3061311), wk = 0.0035088 k( 122) = ( 0.0000000 0.0000000 0.3231384), wk = 0.0035088 k( 123) = ( 0.0000000 0.0000000 0.3401457), wk = 0.0035088 k( 124) = ( 0.0000000 0.0000000 0.3571530), wk = 0.0035088 k( 125) = ( 0.0000000 0.0000000 0.3741603), wk = 0.0035088 k( 126) = ( 0.0000000 0.0000000 0.3911676), wk = 0.0035088 k( 127) = ( 0.0000000 0.0000000 0.4081749), wk = 0.0035088 k( 128) = ( 0.0000000 0.0000000 0.4251821), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.4421894), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.4421894), wk = 0.0035088 k( 131) = ( 0.0000000 0.0172414 0.4421894), wk = 0.0035088 k( 132) = ( 0.0000000 0.0344828 0.4421894), wk = 0.0035088 k( 133) = ( 0.0000000 0.0517241 0.4421894), wk = 0.0035088 k( 134) = ( 0.0000000 0.0689655 0.4421894), wk = 0.0035088 k( 135) = ( 0.0000000 0.0862069 0.4421894), wk = 0.0035088 k( 136) = ( 0.0000000 0.1034483 0.4421894), wk = 0.0035088 k( 137) = ( 0.0000000 0.1206897 0.4421894), wk = 0.0035088 k( 138) = ( 0.0000000 0.1379310 0.4421894), wk = 0.0035088 k( 139) = ( 0.0000000 0.1551724 0.4421894), wk = 0.0035088 k( 140) = ( 0.0000000 0.1724138 0.4421894), wk = 0.0035088 k( 141) = ( 0.0000000 0.1896552 0.4421894), wk = 0.0035088 k( 142) = ( 0.0000000 0.2068966 0.4421894), wk = 0.0035088 k( 143) = ( 0.0000000 0.2241379 0.4421894), wk = 0.0035088 k( 144) = ( 0.0000000 0.2413793 0.4421894), wk = 0.0035088 k( 145) = ( 0.0000000 0.2586207 0.4421894), wk = 0.0035088 k( 146) = ( 0.0000000 0.2758621 0.4421894), wk = 0.0035088 k( 147) = ( 0.0000000 0.2931034 0.4421894), wk = 0.0035088 k( 148) = ( 0.0000000 0.3103448 0.4421894), wk = 0.0035088 k( 149) = ( 0.0000000 0.3275862 0.4421894), wk = 0.0035088 k( 150) = ( 0.0000000 0.3448276 0.4421894), wk = 0.0035088 k( 151) = ( 0.0000000 0.3620690 0.4421894), wk = 0.0035088 k( 152) = ( 0.0000000 0.3793103 0.4421894), wk = 0.0035088 k( 153) = ( 0.0000000 0.3965517 0.4421894), wk = 0.0035088 k( 154) = ( 0.0000000 0.4137931 0.4421894), wk = 0.0035088 k( 155) = ( 0.0000000 0.4310345 0.4421894), wk = 0.0035088 k( 156) = ( 0.0000000 0.4482759 0.4421894), wk = 0.0035088 k( 157) = ( 0.0000000 0.4655172 0.4421894), wk = 0.0035088 k( 158) = ( 0.0000000 0.4827586 0.4421894), wk = 0.0035088 k( 159) = ( 0.0000000 0.5000000 0.4421894), wk = 0.0035088 k( 160) = ( 0.0000000 0.5000000 0.4421894), wk = 0.0035088 k( 161) = ( 0.0172414 0.5000000 0.4421894), wk = 0.0035088 k( 162) = ( 0.0344828 0.5000000 0.4421894), wk = 0.0035088 k( 163) = ( 0.0517241 0.5000000 0.4421894), wk = 0.0035088 k( 164) = ( 0.0689655 0.5000000 0.4421894), wk = 0.0035088 k( 165) = ( 0.0862069 0.5000000 0.4421894), wk = 0.0035088 k( 166) = ( 0.1034483 0.5000000 0.4421894), wk = 0.0035088 k( 167) = ( 0.1206897 0.5000000 0.4421894), wk = 0.0035088 k( 168) = ( 0.1379310 0.5000000 0.4421894), wk = 0.0035088 k( 169) = ( 0.1551724 0.5000000 0.4421894), wk = 0.0035088 k( 170) = ( 0.1724138 0.5000000 0.4421894), wk = 0.0035088 k( 171) = ( 0.1896552 0.5000000 0.4421894), wk = 0.0035088 k( 172) = ( 0.2068966 0.5000000 0.4421894), wk = 0.0035088 k( 173) = ( 0.2241379 0.5000000 0.4421894), wk = 0.0035088 k( 174) = ( 0.2413793 0.5000000 0.4421894), wk = 0.0035088 k( 175) = ( 0.2586207 0.5000000 0.4421894), wk = 0.0035088 k( 176) = ( 0.2758621 0.5000000 0.4421894), wk = 0.0035088 k( 177) = ( 0.2931034 0.5000000 0.4421894), wk = 0.0035088 k( 178) = ( 0.3103448 0.5000000 0.4421894), wk = 0.0035088 k( 179) = ( 0.3275862 0.5000000 0.4421894), wk = 0.0035088 k( 180) = ( 0.3448276 0.5000000 0.4421894), wk = 0.0035088 k( 181) = ( 0.3620690 0.5000000 0.4421894), wk = 0.0035088 k( 182) = ( 0.3793103 0.5000000 0.4421894), wk = 0.0035088 k( 183) = ( 0.3965517 0.5000000 0.4421894), wk = 0.0035088 k( 184) = ( 0.4137931 0.5000000 0.4421894), wk = 0.0035088 k( 185) = ( 0.4310345 0.5000000 0.4421894), wk = 0.0035088 k( 186) = ( 0.4482759 0.5000000 0.4421894), wk = 0.0035088 k( 187) = ( 0.4655172 0.5000000 0.4421894), wk = 0.0035088 k( 188) = ( 0.4827586 0.5000000 0.4421894), wk = 0.0035088 k( 189) = ( 0.5000000 0.5000000 0.4421894), wk = 0.0035088 k( 190) = ( 0.5000000 0.5000000 0.4421894), wk = 0.0035088 k( 191) = ( 0.4878049 0.4878049 0.4421894), wk = 0.0035088 k( 192) = ( 0.4756098 0.4756098 0.4421894), wk = 0.0035088 k( 193) = ( 0.4634146 0.4634146 0.4421894), wk = 0.0035088 k( 194) = ( 0.4512195 0.4512195 0.4421894), wk = 0.0035088 k( 195) = ( 0.4390244 0.4390244 0.4421894), wk = 0.0035088 k( 196) = ( 0.4268293 0.4268293 0.4421894), wk = 0.0035088 k( 197) = ( 0.4146341 0.4146341 0.4421894), wk = 0.0035088 k( 198) = ( 0.4024390 0.4024390 0.4421894), wk = 0.0035088 k( 199) = ( 0.3902439 0.3902439 0.4421894), wk = 0.0035088 k( 200) = ( 0.3780488 0.3780488 0.4421894), wk = 0.0035088 k( 201) = ( 0.3658537 0.3658537 0.4421894), wk = 0.0035088 k( 202) = ( 0.3536585 0.3536585 0.4421894), wk = 0.0035088 k( 203) = ( 0.3414634 0.3414634 0.4421894), wk = 0.0035088 k( 204) = ( 0.3292683 0.3292683 0.4421894), wk = 0.0035088 k( 205) = ( 0.3170732 0.3170732 0.4421894), wk = 0.0035088 k( 206) = ( 0.3048781 0.3048780 0.4421894), wk = 0.0035088 k( 207) = ( 0.2926829 0.2926829 0.4421894), wk = 0.0035088 k( 208) = ( 0.2804878 0.2804878 0.4421894), wk = 0.0035088 k( 209) = ( 0.2682927 0.2682927 0.4421894), wk = 0.0035088 k( 210) = ( 0.2560976 0.2560976 0.4421894), wk = 0.0035088 k( 211) = ( 0.2439024 0.2439024 0.4421894), wk = 0.0035088 k( 212) = ( 0.2317073 0.2317073 0.4421894), wk = 0.0035088 k( 213) = ( 0.2195122 0.2195122 0.4421894), wk = 0.0035088 k( 214) = ( 0.2073171 0.2073171 0.4421894), wk = 0.0035088 k( 215) = ( 0.1951219 0.1951219 0.4421894), wk = 0.0035088 k( 216) = ( 0.1829268 0.1829268 0.4421894), wk = 0.0035088 k( 217) = ( 0.1707317 0.1707317 0.4421894), wk = 0.0035088 k( 218) = ( 0.1585366 0.1585366 0.4421894), wk = 0.0035088 k( 219) = ( 0.1463415 0.1463415 0.4421894), wk = 0.0035088 k( 220) = ( 0.1341463 0.1341463 0.4421894), wk = 0.0035088 k( 221) = ( 0.1219512 0.1219512 0.4421894), wk = 0.0035088 k( 222) = ( 0.1097561 0.1097561 0.4421894), wk = 0.0035088 k( 223) = ( 0.0975610 0.0975610 0.4421894), wk = 0.0035088 k( 224) = ( 0.0853658 0.0853658 0.4421894), wk = 0.0035088 k( 225) = ( 0.0731707 0.0731707 0.4421894), wk = 0.0035088 k( 226) = ( 0.0609756 0.0609756 0.4421894), wk = 0.0035088 k( 227) = ( 0.0487805 0.0487805 0.4421894), wk = 0.0035088 k( 228) = ( 0.0365854 0.0365854 0.4421894), wk = 0.0035088 k( 229) = ( 0.0243902 0.0243902 0.4421894), wk = 0.0035088 k( 230) = ( 0.0121951 0.0121951 0.4421894), wk = 0.0035088 k( 231) = ( 0.0000000 0.0000000 0.4421894), wk = 0.0035088 k( 232) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 233) = ( 0.0000000 0.5000000 0.0170073), wk = 0.0035088 k( 234) = ( 0.0000000 0.5000000 0.0340146), wk = 0.0035088 k( 235) = ( 0.0000000 0.5000000 0.0510219), wk = 0.0035088 k( 236) = ( 0.0000000 0.5000000 0.0680291), wk = 0.0035088 k( 237) = ( 0.0000000 0.5000000 0.0850364), wk = 0.0035088 k( 238) = ( 0.0000000 0.5000000 0.1020437), wk = 0.0035088 k( 239) = ( 0.0000000 0.5000000 0.1190510), wk = 0.0035088 k( 240) = ( 0.0000000 0.5000000 0.1360583), wk = 0.0035088 k( 241) = ( 0.0000000 0.5000000 0.1530656), wk = 0.0035088 k( 242) = ( 0.0000000 0.5000000 0.1700729), wk = 0.0035088 k( 243) = ( 0.0000000 0.5000000 0.1870801), wk = 0.0035088 k( 244) = ( 0.0000000 0.5000000 0.2040874), wk = 0.0035088 k( 245) = ( 0.0000000 0.5000000 0.2210947), wk = 0.0035088 k( 246) = ( 0.0000000 0.5000000 0.2381020), wk = 0.0035088 k( 247) = ( 0.0000000 0.5000000 0.2551093), wk = 0.0035088 k( 248) = ( 0.0000000 0.5000000 0.2721166), wk = 0.0035088 k( 249) = ( 0.0000000 0.5000000 0.2891239), wk = 0.0035088 k( 250) = ( 0.0000000 0.5000000 0.3061311), wk = 0.0035088 k( 251) = ( 0.0000000 0.5000000 0.3231384), wk = 0.0035088 k( 252) = ( 0.0000000 0.5000000 0.3401457), wk = 0.0035088 k( 253) = ( 0.0000000 0.5000000 0.3571530), wk = 0.0035088 k( 254) = ( 0.0000000 0.5000000 0.3741603), wk = 0.0035088 k( 255) = ( 0.0000000 0.5000000 0.3911676), wk = 0.0035088 k( 256) = ( 0.0000000 0.5000000 0.4081749), wk = 0.0035088 k( 257) = ( 0.0000000 0.5000000 0.4251821), wk = 0.0035088 k( 258) = ( 0.0000000 0.5000000 0.4421894), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 0.0170073), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 0.0340146), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 0.0510219), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 0.0680291), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 0.0850364), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 0.1020437), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 0.1190510), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 0.1360583), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 0.1530656), wk = 0.0035088 k( 269) = ( 0.5000000 0.5000000 0.1700729), wk = 0.0035088 k( 270) = ( 0.5000000 0.5000000 0.1870801), wk = 0.0035088 k( 271) = ( 0.5000000 0.5000000 0.2040874), wk = 0.0035088 k( 272) = ( 0.5000000 0.5000000 0.2210947), wk = 0.0035088 k( 273) = ( 0.5000000 0.5000000 0.2381020), wk = 0.0035088 k( 274) = ( 0.5000000 0.5000000 0.2551093), wk = 0.0035088 k( 275) = ( 0.5000000 0.5000000 0.2721166), wk = 0.0035088 k( 276) = ( 0.5000000 0.5000000 0.2891239), wk = 0.0035088 k( 277) = ( 0.5000000 0.5000000 0.3061311), wk = 0.0035088 k( 278) = ( 0.5000000 0.5000000 0.3231384), wk = 0.0035088 k( 279) = ( 0.5000000 0.5000000 0.3401457), wk = 0.0035088 k( 280) = ( 0.5000000 0.5000000 0.3571530), wk = 0.0035088 k( 281) = ( 0.5000000 0.5000000 0.3741603), wk = 0.0035088 k( 282) = ( 0.5000000 0.5000000 0.3911676), wk = 0.0035088 k( 283) = ( 0.5000000 0.5000000 0.4081749), wk = 0.0035088 k( 284) = ( 0.5000000 0.5000000 0.4251821), wk = 0.0035088 k( 285) = ( 0.5000000 0.5000000 0.4421894), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0035088 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0035088 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0035088 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0035088 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0035088 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0035088 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0035088 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0035088 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0035088 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0035088 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0035088 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0035088 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0035088 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0035088 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0035088 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0035088 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0035088 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0035088 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0035088 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0035088 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0035088 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0035088 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0035088 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0035088 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0035088 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0035088 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0035088 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0035088 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0035088 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0035088 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0035088 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0035088 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0035088 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0035088 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0035088 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0035088 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0035088 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0035088 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0035088 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0035088 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0035088 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0035088 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0035088 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0035088 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0035088 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0035088 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0035088 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0035088 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0035088 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0035088 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0035088 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0035088 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0035088 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0035088 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0035088 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0035088 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0035088 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0035088 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0035088 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0035088 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0035088 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0035088 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0035088 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0035088 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0035088 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0035088 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0035088 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0035088 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0035088 k( 75) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0035088 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0035088 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0035088 k( 78) = ( 0.2926829 0.2926829 0.0000000), wk = 0.0035088 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0035088 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0035088 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0035088 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0035088 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0035088 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0035088 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0035088 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0035088 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0035088 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0035088 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0035088 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0035088 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0035088 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0035088 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0035088 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0035088 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0035088 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0035088 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0035088 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0035088 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0035088 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0035088 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0035088 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 104) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0035088 k( 105) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0035088 k( 106) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0035088 k( 107) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0035088 k( 108) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0035088 k( 109) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0035088 k( 110) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0035088 k( 111) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0035088 k( 112) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0035088 k( 113) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0035088 k( 114) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0035088 k( 116) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035088 k( 117) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0035088 k( 118) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0035088 k( 119) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0035088 k( 120) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0035088 k( 121) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0035088 k( 122) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0035088 k( 123) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0035088 k( 124) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0035088 k( 125) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0035088 k( 126) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0035088 k( 127) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0035088 k( 128) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 131) = ( 0.0000000 0.0172414 0.5000000), wk = 0.0035088 k( 132) = ( 0.0000000 0.0344828 0.5000000), wk = 0.0035088 k( 133) = ( 0.0000000 0.0517241 0.5000000), wk = 0.0035088 k( 134) = ( 0.0000000 0.0689655 0.5000000), wk = 0.0035088 k( 135) = ( 0.0000000 0.0862069 0.5000000), wk = 0.0035088 k( 136) = ( 0.0000000 0.1034483 0.5000000), wk = 0.0035088 k( 137) = ( 0.0000000 0.1206897 0.5000000), wk = 0.0035088 k( 138) = ( 0.0000000 0.1379310 0.5000000), wk = 0.0035088 k( 139) = ( 0.0000000 0.1551724 0.5000000), wk = 0.0035088 k( 140) = ( 0.0000000 0.1724138 0.5000000), wk = 0.0035088 k( 141) = ( 0.0000000 0.1896552 0.5000000), wk = 0.0035088 k( 142) = ( 0.0000000 0.2068966 0.5000000), wk = 0.0035088 k( 143) = ( 0.0000000 0.2241379 0.5000000), wk = 0.0035088 k( 144) = ( 0.0000000 0.2413793 0.5000000), wk = 0.0035088 k( 145) = ( 0.0000000 0.2586207 0.5000000), wk = 0.0035088 k( 146) = ( 0.0000000 0.2758621 0.5000000), wk = 0.0035088 k( 147) = ( 0.0000000 0.2931034 0.5000000), wk = 0.0035088 k( 148) = ( 0.0000000 0.3103448 0.5000000), wk = 0.0035088 k( 149) = ( 0.0000000 0.3275862 0.5000000), wk = 0.0035088 k( 150) = ( 0.0000000 0.3448276 0.5000000), wk = 0.0035088 k( 151) = ( 0.0000000 0.3620690 0.5000000), wk = 0.0035088 k( 152) = ( 0.0000000 0.3793103 0.5000000), wk = 0.0035088 k( 153) = ( 0.0000000 0.3965517 0.5000000), wk = 0.0035088 k( 154) = ( 0.0000000 0.4137931 0.5000000), wk = 0.0035088 k( 155) = ( 0.0000000 0.4310345 0.5000000), wk = 0.0035088 k( 156) = ( 0.0000000 0.4482759 0.5000000), wk = 0.0035088 k( 157) = ( 0.0000000 0.4655172 0.5000000), wk = 0.0035088 k( 158) = ( 0.0000000 0.4827586 0.5000000), wk = 0.0035088 k( 159) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035088 k( 160) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035088 k( 161) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0035088 k( 162) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0035088 k( 163) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0035088 k( 164) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0035088 k( 165) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0035088 k( 166) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0035088 k( 167) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0035088 k( 168) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0035088 k( 169) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0035088 k( 170) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0035088 k( 171) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0035088 k( 172) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0035088 k( 173) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0035088 k( 174) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0035088 k( 175) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0035088 k( 176) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0035088 k( 177) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0035088 k( 178) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0035088 k( 179) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0035088 k( 180) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0035088 k( 181) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0035088 k( 182) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0035088 k( 183) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0035088 k( 184) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0035088 k( 185) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0035088 k( 186) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0035088 k( 187) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0035088 k( 188) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0035088 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 190) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 191) = ( 0.4878049 0.4878049 0.5000000), wk = 0.0035088 k( 192) = ( 0.4756098 0.4756098 0.5000000), wk = 0.0035088 k( 193) = ( 0.4634146 0.4634146 0.5000000), wk = 0.0035088 k( 194) = ( 0.4512195 0.4512195 0.5000000), wk = 0.0035088 k( 195) = ( 0.4390244 0.4390244 0.5000000), wk = 0.0035088 k( 196) = ( 0.4268293 0.4268293 0.5000000), wk = 0.0035088 k( 197) = ( 0.4146341 0.4146341 0.5000000), wk = 0.0035088 k( 198) = ( 0.4024390 0.4024390 0.5000000), wk = 0.0035088 k( 199) = ( 0.3902439 0.3902439 0.5000000), wk = 0.0035088 k( 200) = ( 0.3780488 0.3780488 0.5000000), wk = 0.0035088 k( 201) = ( 0.3658537 0.3658537 0.5000000), wk = 0.0035088 k( 202) = ( 0.3536585 0.3536585 0.5000000), wk = 0.0035088 k( 203) = ( 0.3414634 0.3414634 0.5000000), wk = 0.0035088 k( 204) = ( 0.3292683 0.3292683 0.5000000), wk = 0.0035088 k( 205) = ( 0.3170732 0.3170732 0.5000000), wk = 0.0035088 k( 206) = ( 0.3048781 0.3048781 0.5000000), wk = 0.0035088 k( 207) = ( 0.2926829 0.2926829 0.5000000), wk = 0.0035088 k( 208) = ( 0.2804878 0.2804878 0.5000000), wk = 0.0035088 k( 209) = ( 0.2682927 0.2682927 0.5000000), wk = 0.0035088 k( 210) = ( 0.2560976 0.2560976 0.5000000), wk = 0.0035088 k( 211) = ( 0.2439024 0.2439024 0.5000000), wk = 0.0035088 k( 212) = ( 0.2317073 0.2317073 0.5000000), wk = 0.0035088 k( 213) = ( 0.2195122 0.2195122 0.5000000), wk = 0.0035088 k( 214) = ( 0.2073171 0.2073171 0.5000000), wk = 0.0035088 k( 215) = ( 0.1951219 0.1951219 0.5000000), wk = 0.0035088 k( 216) = ( 0.1829268 0.1829268 0.5000000), wk = 0.0035088 k( 217) = ( 0.1707317 0.1707317 0.5000000), wk = 0.0035088 k( 218) = ( 0.1585366 0.1585366 0.5000000), wk = 0.0035088 k( 219) = ( 0.1463415 0.1463415 0.5000000), wk = 0.0035088 k( 220) = ( 0.1341463 0.1341463 0.5000000), wk = 0.0035088 k( 221) = ( 0.1219512 0.1219512 0.5000000), wk = 0.0035088 k( 222) = ( 0.1097561 0.1097561 0.5000000), wk = 0.0035088 k( 223) = ( 0.0975610 0.0975610 0.5000000), wk = 0.0035088 k( 224) = ( 0.0853658 0.0853658 0.5000000), wk = 0.0035088 k( 225) = ( 0.0731707 0.0731707 0.5000000), wk = 0.0035088 k( 226) = ( 0.0609756 0.0609756 0.5000000), wk = 0.0035088 k( 227) = ( 0.0487805 0.0487805 0.5000000), wk = 0.0035088 k( 228) = ( 0.0365854 0.0365854 0.5000000), wk = 0.0035088 k( 229) = ( 0.0243902 0.0243902 0.5000000), wk = 0.0035088 k( 230) = ( 0.0121951 0.0121951 0.5000000), wk = 0.0035088 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 232) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 233) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0035088 k( 234) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0035088 k( 235) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0035088 k( 236) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0035088 k( 237) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0035088 k( 238) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0035088 k( 239) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0035088 k( 240) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0035088 k( 241) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0035088 k( 242) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0035088 k( 243) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0035088 k( 244) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0035088 k( 245) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0035088 k( 246) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0035088 k( 247) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0035088 k( 248) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0035088 k( 249) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0035088 k( 250) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0035088 k( 251) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0035088 k( 252) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0035088 k( 253) = ( 0.0000000 0.5000000 0.4038461), wk = 0.0035088 k( 254) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0035088 k( 255) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0035088 k( 256) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0035088 k( 257) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0035088 k( 258) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0035088 k( 269) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0035088 k( 270) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0035088 k( 271) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0035088 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035088 k( 273) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0035088 k( 274) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0035088 k( 275) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0035088 k( 276) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0035088 k( 277) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0035088 k( 278) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0035088 k( 279) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0035088 k( 280) = ( 0.5000000 0.5000000 0.4038461), wk = 0.0035088 k( 281) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0035088 k( 282) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0035088 k( 283) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0035088 k( 284) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0035088 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 Dense grid: 157017 G-vectors FFT dimensions: ( 72, 72, 75) Smooth grid: 75001 G-vectors FFT dimensions: ( 54, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 528, 58) NL pseudopotentials 0.47 Mb ( 264, 116) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.03 Mb ( 4362) G-vector shells 0.02 Mb ( 2068) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.87 Mb ( 528, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.21 Mb ( 116, 2, 58) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./MgxBH4x2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 11.1 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.8 secs Computing kpt #: 15 total cpu time spent up to now is 13.6 secs Computing kpt #: 16 total cpu time spent up to now is 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.5 secs Computing kpt #: 18 total cpu time spent up to now is 16.5 secs Computing kpt #: 19 total cpu time spent up to now is 17.5 secs Computing kpt #: 20 total cpu time spent up to now is 18.5 secs Computing kpt #: 21 total cpu time spent up to now is 19.6 secs Computing kpt #: 22 total cpu time spent up to now is 20.5 secs Computing kpt #: 23 total cpu time spent up to now is 21.6 secs Computing kpt #: 24 total cpu time spent up to now is 22.6 secs Computing kpt #: 25 total cpu time spent up to now is 23.6 secs Computing kpt #: 26 total cpu time spent up to now is 24.6 secs Computing kpt #: 27 total cpu time spent up to now is 25.6 secs Computing kpt #: 28 total cpu time spent up to now is 26.6 secs Computing kpt #: 29 total cpu time spent up to now is 27.6 secs Computing kpt #: 30 total cpu time spent up to now is 28.8 secs Computing kpt #: 31 total cpu time spent up to now is 29.9 secs Computing kpt #: 32 total cpu time spent up to now is 31.0 secs Computing kpt #: 33 total cpu time spent up to now is 32.1 secs Computing kpt #: 34 total cpu time spent up to now is 33.2 secs Computing kpt #: 35 total cpu time spent up to now is 34.2 secs Computing kpt #: 36 total cpu time spent up to now is 35.5 secs Computing kpt #: 37 total cpu time spent up to now is 37.0 secs Computing kpt #: 38 total cpu time spent up to now is 38.1 secs Computing kpt #: 39 total cpu time spent up to now is 39.2 secs Computing kpt #: 40 total cpu time spent up to now is 40.3 secs Computing kpt #: 41 total cpu time spent up to now is 41.4 secs Computing kpt #: 42 total cpu time spent up to now is 42.5 secs Computing kpt #: 43 total cpu time spent up to now is 43.6 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.0 secs Computing kpt #: 45 total cpu time spent up to now is 47.1 secs Computing kpt #: 46 total cpu time spent up to now is 48.2 secs Computing kpt #: 47 total cpu time spent up to now is 49.4 secs Computing kpt #: 48 total cpu time spent up to now is 50.4 secs Computing kpt #: 49 total cpu time spent up to now is 51.5 secs Computing kpt #: 50 total cpu time spent up to now is 52.6 secs Computing kpt #: 51 total cpu time spent up to now is 53.6 secs Computing kpt #: 52 total cpu time spent up to now is 54.6 secs Computing kpt #: 53 total cpu time spent up to now is 55.6 secs Computing kpt #: 54 total cpu time spent up to now is 56.6 secs Computing kpt #: 55 total cpu time spent up to now is 57.6 secs Computing kpt #: 56 total cpu time spent up to now is 58.6 secs Computing kpt #: 57 total cpu time spent up to now is 59.6 secs Computing kpt #: 58 total cpu time spent up to now is 60.7 secs Computing kpt #: 59 total cpu time spent up to now is 61.8 secs Computing kpt #: 60 total cpu time spent up to now is 62.7 secs Computing kpt #: 61 total cpu time spent up to now is 63.8 secs Computing kpt #: 62 total cpu time spent up to now is 64.8 secs Computing kpt #: 63 total cpu time spent up to now is 65.6 secs Computing kpt #: 64 total cpu time spent up to now is 66.6 secs Computing kpt #: 65 total cpu time spent up to now is 67.4 secs Computing kpt #: 66 total cpu time spent up to now is 68.4 secs Computing kpt #: 67 total cpu time spent up to now is 69.2 secs Computing kpt #: 68 total cpu time spent up to now is 70.1 secs Computing kpt #: 69 total cpu time spent up to now is 71.0 secs Computing kpt #: 70 total cpu time spent up to now is 71.9 secs Computing kpt #: 71 total cpu time spent up to now is 72.9 secs Computing kpt #: 72 total cpu time spent up to now is 73.9 secs Computing kpt #: 73 total cpu time spent up to now is 74.9 secs Computing kpt #: 74 total cpu time spent up to now is 75.9 secs Computing kpt #: 75 total cpu time spent up to now is 76.8 secs Computing kpt #: 76 total cpu time spent up to now is 77.9 secs Computing kpt #: 77 total cpu time spent up to now is 78.9 secs Computing kpt #: 78 total cpu time spent up to now is 80.0 secs Computing kpt #: 79 total cpu time spent up to now is 81.0 secs Computing kpt #: 80 total cpu time spent up to now is 82.0 secs Computing kpt #: 81 total cpu time spent up to now is 83.0 secs Computing kpt #: 82 total cpu time spent up to now is 84.0 secs Computing kpt #: 83 total cpu time spent up to now is 85.0 secs Computing kpt #: 84 total cpu time spent up to now is 86.0 secs Computing kpt #: 85 total cpu time spent up to now is 86.8 secs Computing kpt #: 86 total cpu time spent up to now is 87.7 secs Computing kpt #: 87 total cpu time spent up to now is 88.5 secs Computing kpt #: 88 total cpu time spent up to now is 89.4 secs Computing kpt #: 89 total cpu time spent up to now is 90.2 secs Computing kpt #: 90 total cpu time spent up to now is 91.0 secs Computing kpt #: 91 total cpu time spent up to now is 91.8 secs Computing kpt #: 92 total cpu time spent up to now is 92.5 secs Computing kpt #: 93 total cpu time spent up to now is 93.3 secs Computing kpt #: 94 total cpu time spent up to now is 94.1 secs Computing kpt #: 95 total cpu time spent up to now is 94.9 secs Computing kpt #: 96 total cpu time spent up to now is 95.7 secs Computing kpt #: 97 total cpu time spent up to now is 96.5 secs Computing kpt #: 98 total cpu time spent up to now is 97.2 secs Computing kpt #: 99 total cpu time spent up to now is 98.0 secs Computing kpt #: 100 total cpu time spent up to now is 98.7 secs Computing kpt #: 101 total cpu time spent up to now is 99.5 secs Computing kpt #: 102 total cpu time spent up to now is 100.2 secs Computing kpt #: 103 total cpu time spent up to now is 101.1 secs Computing kpt #: 104 total cpu time spent up to now is 101.8 secs Computing kpt #: 105 total cpu time spent up to now is 102.5 secs Computing kpt #: 106 total cpu time spent up to now is 103.3 secs Computing kpt #: 107 total cpu time spent up to now is 104.0 secs Computing kpt #: 108 total cpu time spent up to now is 104.8 secs Computing kpt #: 109 total cpu time spent up to now is 105.6 secs Computing kpt #: 110 total cpu time spent up to now is 106.3 secs Computing kpt #: 111 total cpu time spent up to now is 107.5 secs Computing kpt #: 112 total cpu time spent up to now is 108.3 secs Computing kpt #: 113 total cpu time spent up to now is 109.1 secs Computing kpt #: 114 total cpu time spent up to now is 109.9 secs Computing kpt #: 115 total cpu time spent up to now is 110.6 secs Computing kpt #: 116 total cpu time spent up to now is 111.4 secs Computing kpt #: 117 total cpu time spent up to now is 112.1 secs Computing kpt #: 118 total cpu time spent up to now is 112.9 secs Computing kpt #: 119 total cpu time spent up to now is 113.7 secs Computing kpt #: 120 total cpu time spent up to now is 114.5 secs Computing kpt #: 121 total cpu time spent up to now is 115.4 secs Computing kpt #: 122 total cpu time spent up to now is 116.2 secs Computing kpt #: 123 total cpu time spent up to now is 117.0 secs Computing kpt #: 124 total cpu time spent up to now is 117.9 secs Computing kpt #: 125 total cpu time spent up to now is 118.8 secs Computing kpt #: 126 total cpu time spent up to now is 119.8 secs Computing kpt #: 127 total cpu time spent up to now is 120.8 secs Computing kpt #: 128 total cpu time spent up to now is 121.8 secs Computing kpt #: 129 total cpu time spent up to now is 122.6 secs Computing kpt #: 130 total cpu time spent up to now is 123.6 secs Computing kpt #: 131 total cpu time spent up to now is 124.7 secs Computing kpt #: 132 total cpu time spent up to now is 125.7 secs Computing kpt #: 133 total cpu time spent up to now is 126.7 secs Computing kpt #: 134 total cpu time spent up to now is 127.8 secs Computing kpt #: 135 total cpu time spent up to now is 128.8 secs Computing kpt #: 136 total cpu time spent up to now is 129.8 secs Computing kpt #: 137 total cpu time spent up to now is 130.9 secs Computing kpt #: 138 total cpu time spent up to now is 132.0 secs Computing kpt #: 139 total cpu time spent up to now is 133.0 secs Computing kpt #: 140 total cpu time spent up to now is 134.0 secs Computing kpt #: 141 total cpu time spent up to now is 135.0 secs Computing kpt #: 142 total cpu time spent up to now is 136.0 secs Computing kpt #: 143 total cpu time spent up to now is 137.1 secs Computing kpt #: 144 total cpu time spent up to now is 138.2 secs Computing kpt #: 145 total cpu time spent up to now is 139.2 secs Computing kpt #: 146 total cpu time spent up to now is 140.2 secs Computing kpt #: 147 total cpu time spent up to now is 141.2 secs Computing kpt #: 148 total cpu time spent up to now is 142.7 secs Computing kpt #: 149 total cpu time spent up to now is 143.8 secs Computing kpt #: 150 total cpu time spent up to now is 144.8 secs Computing kpt #: 151 total cpu time spent up to now is 145.8 secs Computing kpt #: 152 total cpu time spent up to now is 146.8 secs Computing kpt #: 153 total cpu time spent up to now is 147.8 secs Computing kpt #: 154 total cpu time spent up to now is 148.9 secs Computing kpt #: 155 total cpu time spent up to now is 149.9 secs Computing kpt #: 156 total cpu time spent up to now is 151.0 secs Computing kpt #: 157 total cpu time spent up to now is 152.1 secs Computing kpt #: 158 total cpu time spent up to now is 153.2 secs Computing kpt #: 159 total cpu time spent up to now is 154.2 secs Computing kpt #: 160 total cpu time spent up to now is 155.3 secs Computing kpt #: 161 total cpu time spent up to now is 156.4 secs Computing kpt #: 162 total cpu time spent up to now is 157.4 secs Computing kpt #: 163 total cpu time spent up to now is 158.4 secs Computing kpt #: 164 total cpu time spent up to now is 159.4 secs Computing kpt #: 165 total cpu time spent up to now is 160.4 secs Computing kpt #: 166 total cpu time spent up to now is 161.5 secs Computing kpt #: 167 total cpu time spent up to now is 162.4 secs Computing kpt #: 168 total cpu time spent up to now is 163.3 secs Computing kpt #: 169 total cpu time spent up to now is 164.2 secs Computing kpt #: 170 total cpu time spent up to now is 165.1 secs Computing kpt #: 171 total cpu time spent up to now is 166.0 secs Computing kpt #: 172 total cpu time spent up to now is 166.8 secs Computing kpt #: 173 total cpu time spent up to now is 167.7 secs Computing kpt #: 174 total cpu time spent up to now is 168.8 secs Computing kpt #: 175 total cpu time spent up to now is 169.7 secs Computing kpt #: 176 total cpu time spent up to now is 170.6 secs Computing kpt #: 177 total cpu time spent up to now is 171.6 secs Computing kpt #: 178 total cpu time spent up to now is 172.6 secs Computing kpt #: 179 total cpu time spent up to now is 173.7 secs Computing kpt #: 180 total cpu time spent up to now is 174.7 secs Computing kpt #: 181 total cpu time spent up to now is 175.8 secs Computing kpt #: 182 total cpu time spent up to now is 176.7 secs Computing kpt #: 183 total cpu time spent up to now is 177.7 secs Computing kpt #: 184 total cpu time spent up to now is 178.6 secs Computing kpt #: 185 total cpu time spent up to now is 179.5 secs Computing kpt #: 186 total cpu time spent up to now is 180.5 secs Computing kpt #: 187 total cpu time spent up to now is 181.5 secs Computing kpt #: 188 total cpu time spent up to now is 182.4 secs Computing kpt #: 189 total cpu time spent up to now is 183.2 secs Computing kpt #: 190 total cpu time spent up to now is 184.1 secs Computing kpt #: 191 total cpu time spent up to now is 184.9 secs Computing kpt #: 192 total cpu time spent up to now is 185.7 secs Computing kpt #: 193 total cpu time spent up to now is 186.7 secs Computing kpt #: 194 total cpu time spent up to now is 187.7 secs Computing kpt #: 195 total cpu time spent up to now is 188.6 secs Computing kpt #: 196 total cpu time spent up to now is 189.6 secs Computing kpt #: 197 total cpu time spent up to now is 190.4 secs Computing kpt #: 198 total cpu time spent up to now is 191.3 secs Computing kpt #: 199 total cpu time spent up to now is 192.2 secs Computing kpt #: 200 total cpu time spent up to now is 193.0 secs Computing kpt #: 201 total cpu time spent up to now is 193.8 secs Computing kpt #: 202 total cpu time spent up to now is 194.7 secs Computing kpt #: 203 total cpu time spent up to now is 195.5 secs Computing kpt #: 204 total cpu time spent up to now is 196.4 secs Computing kpt #: 205 total cpu time spent up to now is 197.2 secs Computing kpt #: 206 total cpu time spent up to now is 198.1 secs Computing kpt #: 207 total cpu time spent up to now is 199.2 secs Computing kpt #: 208 total cpu time spent up to now is 200.2 secs Computing kpt #: 209 total cpu time spent up to now is 201.1 secs Computing kpt #: 210 total cpu time spent up to now is 202.0 secs Computing kpt #: 211 total cpu time spent up to now is 202.9 secs Computing kpt #: 212 total cpu time spent up to now is 204.0 secs Computing kpt #: 213 total cpu time spent up to now is 205.0 secs Computing kpt #: 214 total cpu time spent up to now is 205.9 secs Computing kpt #: 215 total cpu time spent up to now is 206.9 secs Computing kpt #: 216 total cpu time spent up to now is 207.8 secs Computing kpt #: 217 total cpu time spent up to now is 208.7 secs Computing kpt #: 218 total cpu time spent up to now is 209.6 secs Computing kpt #: 219 total cpu time spent up to now is 210.5 secs Computing kpt #: 220 total cpu time spent up to now is 211.4 secs Computing kpt #: 221 total cpu time spent up to now is 212.3 secs Computing kpt #: 222 total cpu time spent up to now is 213.2 secs Computing kpt #: 223 total cpu time spent up to now is 214.2 secs Computing kpt #: 224 total cpu time spent up to now is 215.1 secs Computing kpt #: 225 total cpu time spent up to now is 216.0 secs Computing kpt #: 226 total cpu time spent up to now is 217.0 secs Computing kpt #: 227 total cpu time spent up to now is 218.0 secs Computing kpt #: 228 total cpu time spent up to now is 218.9 secs Computing kpt #: 229 total cpu time spent up to now is 219.9 secs Computing kpt #: 230 total cpu time spent up to now is 220.9 secs Computing kpt #: 231 total cpu time spent up to now is 221.7 secs Computing kpt #: 232 total cpu time spent up to now is 222.8 secs Computing kpt #: 233 total cpu time spent up to now is 223.9 secs Computing kpt #: 234 total cpu time spent up to now is 225.1 secs Computing kpt #: 235 total cpu time spent up to now is 226.2 secs Computing kpt #: 236 total cpu time spent up to now is 227.3 secs Computing kpt #: 237 total cpu time spent up to now is 228.4 secs Computing kpt #: 238 total cpu time spent up to now is 229.5 secs Computing kpt #: 239 total cpu time spent up to now is 230.6 secs Computing kpt #: 240 total cpu time spent up to now is 231.7 secs Computing kpt #: 241 total cpu time spent up to now is 232.8 secs Computing kpt #: 242 total cpu time spent up to now is 233.8 secs Computing kpt #: 243 total cpu time spent up to now is 234.9 secs Computing kpt #: 244 total cpu time spent up to now is 236.0 secs Computing kpt #: 245 total cpu time spent up to now is 237.1 secs Computing kpt #: 246 total cpu time spent up to now is 238.2 secs Computing kpt #: 247 total cpu time spent up to now is 239.3 secs Computing kpt #: 248 total cpu time spent up to now is 240.4 secs Computing kpt #: 249 total cpu time spent up to now is 241.5 secs Computing kpt #: 250 total cpu time spent up to now is 242.5 secs Computing kpt #: 251 total cpu time spent up to now is 243.6 secs Computing kpt #: 252 total cpu time spent up to now is 244.6 secs Computing kpt #: 253 total cpu time spent up to now is 245.7 secs Computing kpt #: 254 total cpu time spent up to now is 246.7 secs Computing kpt #: 255 total cpu time spent up to now is 247.8 secs Computing kpt #: 256 total cpu time spent up to now is 248.9 secs Computing kpt #: 257 total cpu time spent up to now is 249.9 secs Computing kpt #: 258 total cpu time spent up to now is 251.0 secs Computing kpt #: 259 total cpu time spent up to now is 252.0 secs Computing kpt #: 260 total cpu time spent up to now is 253.0 secs Computing kpt #: 261 total cpu time spent up to now is 254.0 secs Computing kpt #: 262 total cpu time spent up to now is 255.0 secs Computing kpt #: 263 total cpu time spent up to now is 256.0 secs Computing kpt #: 264 total cpu time spent up to now is 257.0 secs Computing kpt #: 265 total cpu time spent up to now is 258.0 secs Computing kpt #: 266 total cpu time spent up to now is 258.9 secs Computing kpt #: 267 total cpu time spent up to now is 259.8 secs Computing kpt #: 268 total cpu time spent up to now is 260.7 secs Computing kpt #: 269 total cpu time spent up to now is 261.6 secs Computing kpt #: 270 total cpu time spent up to now is 262.5 secs Computing kpt #: 271 total cpu time spent up to now is 263.3 secs Computing kpt #: 272 total cpu time spent up to now is 264.2 secs Computing kpt #: 273 total cpu time spent up to now is 265.2 secs Computing kpt #: 274 total cpu time spent up to now is 266.1 secs Computing kpt #: 275 total cpu time spent up to now is 267.2 secs Computing kpt #: 276 total cpu time spent up to now is 268.2 secs Computing kpt #: 277 total cpu time spent up to now is 269.1 secs Computing kpt #: 278 total cpu time spent up to now is 270.1 secs Computing kpt #: 279 total cpu time spent up to now is 271.0 secs Computing kpt #: 280 total cpu time spent up to now is 271.9 secs Computing kpt #: 281 total cpu time spent up to now is 272.9 secs Computing kpt #: 282 total cpu time spent up to now is 273.8 secs Computing kpt #: 283 total cpu time spent up to now is 274.6 secs Computing kpt #: 284 total cpu time spent up to now is 275.4 secs Computing kpt #: 285 total cpu time spent up to now is 276.3 secs ethr = 2.08E-08, avg # of iterations = 21.6 total cpu time spent up to now is 276.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9373 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1969 -9.1969 -7.7099 -7.7099 -7.2117 -7.2117 -7.2107 -7.2107 -5.0820 -5.0820 -3.7808 -3.7808 -3.5071 -3.5071 -3.3387 -3.3387 -3.1856 -3.1856 -3.1834 -3.1834 -2.4554 -2.4554 -1.7500 -1.7500 -1.6285 -1.6285 -1.6279 -1.6279 -1.4173 -1.4173 -1.4170 -1.4170 4.3692 4.3692 4.6201 4.6201 4.6224 4.6224 4.8514 4.8514 6.1543 6.1543 k = 0.0000 0.0172-0.0000 ( 9361 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1959 -9.1959 -7.7094 -7.7094 -7.2140 -7.2140 -7.2113 -7.2113 -5.0801 -5.0801 -3.7805 -3.7805 -3.5082 -3.5080 -3.3379 -3.3379 -3.1868 -3.1865 -3.1827 -3.1826 -2.4539 -2.4539 -1.7517 -1.7516 -1.6292 -1.6290 -1.6285 -1.6285 -1.4182 -1.4182 -1.4178 -1.4178 4.3695 4.3699 4.6216 4.6217 4.6257 4.6259 4.8540 4.8540 6.1577 6.1577 k = 0.0000 0.0345-0.0000 ( 9375 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1930 -9.1930 -7.7080 -7.7080 -7.2220 -7.2219 -7.2120 -7.2120 -5.0744 -5.0744 -3.7798 -3.7797 -3.5113 -3.5109 -3.3355 -3.3354 -3.1919 -3.1914 -3.1783 -3.1781 -2.4496 -2.4495 -1.7567 -1.7565 -1.6312 -1.6311 -1.6304 -1.6302 -1.4207 -1.4207 -1.4202 -1.4202 4.3711 4.3719 4.6243 4.6243 4.6375 4.6382 4.8618 4.8618 6.1680 6.1680 k = 0.0000 0.0517-0.0000 ( 9381 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1881 -9.1881 -7.7056 -7.7056 -7.2352 -7.2352 -7.2130 -7.2130 -5.0650 -5.0650 -3.7785 -3.7783 -3.5165 -3.5160 -3.3314 -3.3312 -3.2003 -3.1996 -3.1707 -3.1703 -2.4426 -2.4425 -1.7650 -1.7646 -1.6347 -1.6346 -1.6335 -1.6331 -1.4250 -1.4250 -1.4241 -1.4241 4.3745 4.3756 4.6284 4.6284 4.6574 4.6584 4.8746 4.8747 6.1851 6.1851 k = 0.0000 0.0690-0.0000 ( 9375 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1813 -9.1813 -7.7024 -7.7023 -7.2534 -7.2534 -7.2145 -7.2144 -5.0521 -5.0521 -3.7766 -3.7764 -3.5241 -3.5234 -3.3256 -3.3254 -3.2111 -3.2101 -3.1600 -3.1595 -2.4335 -2.4333 -1.7762 -1.7758 -1.6396 -1.6395 -1.6378 -1.6374 -1.4309 -1.4308 -1.4294 -1.4294 4.3800 4.3813 4.6344 4.6345 4.6843 4.6856 4.8922 4.8923 6.2089 6.2090 k = 0.0000 0.0862-0.0000 ( 9383 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1725 -9.1725 -7.6982 -7.6981 -7.2764 -7.2764 -7.2163 -7.2163 -5.0360 -5.0360 -3.7742 -3.7740 -3.5344 -3.5334 -3.3181 -3.3179 -3.2235 -3.2223 -3.1463 -3.1458 -2.4227 -2.4225 -1.7904 -1.7899 -1.6459 -1.6459 -1.6436 -1.6430 -1.4382 -1.4381 -1.4360 -1.4360 4.3882 4.3897 4.6426 4.6427 4.7177 4.7192 4.9143 4.9145 6.2394 6.2395 k = 0.0000 0.1034-0.0000 ( 9371 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1619 -9.1619 -7.6931 -7.6930 -7.3039 -7.3038 -7.2186 -7.2186 -5.0169 -5.0168 -3.7712 -3.7709 -3.5475 -3.5464 -3.3088 -3.3086 -3.2368 -3.2354 -3.1298 -3.1292 -2.4108 -2.4105 -1.8073 -1.8067 -1.6537 -1.6537 -1.6509 -1.6502 -1.4467 -1.4467 -1.4438 -1.4437 4.3995 4.4012 4.6532 4.6533 4.7569 4.7586 4.9407 4.9409 6.2763 6.2764 k = 0.0000 0.1207-0.0000 ( 9371 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1493 -9.1493 -7.6871 -7.6871 -7.3354 -7.3353 -7.2213 -7.2213 -4.9950 -4.9950 -3.7676 -3.7673 -3.5636 -3.5624 -3.2979 -3.2977 -3.2502 -3.2486 -3.1106 -3.1099 -2.3983 -2.3980 -1.8266 -1.8261 -1.6629 -1.6629 -1.6599 -1.6591 -1.4564 -1.4563 -1.4526 -1.4526 4.4143 4.4160 4.6664 4.6665 4.8013 4.8031 4.9709 4.9711 6.3196 6.3197 k = 0.0000 0.1379-0.0000 ( 9375 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1348 -9.1347 -7.6803 -7.6803 -7.3706 -7.3705 -7.2245 -7.2245 -4.9708 -4.9708 -3.7633 -3.7630 -3.5830 -3.5817 -3.2852 -3.2850 -3.2631 -3.2613 -3.0888 -3.0881 -2.3857 -2.3854 -1.8483 -1.8477 -1.6736 -1.6736 -1.6706 -1.6698 -1.4669 -1.4668 -1.4623 -1.4623 4.4326 4.4344 4.6824 4.6825 4.8503 4.8521 5.0046 5.0049 6.3690 6.3691 k = 0.0000 0.1552-0.0000 ( 9387 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1184 -9.1183 -7.6726 -7.6726 -7.4091 -7.4091 -7.2282 -7.2281 -4.9445 -4.9445 -3.7585 -3.7581 -3.6056 -3.6041 -3.2752 -3.2733 -3.2708 -3.2706 -3.0645 -3.0637 -2.3733 -2.3730 -1.8721 -1.8715 -1.6857 -1.6856 -1.6830 -1.6822 -1.4780 -1.4780 -1.4728 -1.4727 4.4546 4.4565 4.7013 4.7015 4.9034 4.9053 5.0416 5.0419 6.4243 6.4244 k = 0.0000 0.1724-0.0000 ( 9371 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1001 -9.1000 -7.6642 -7.6642 -7.4507 -7.4506 -7.2323 -7.2323 -4.9165 -4.9164 -3.7529 -3.7526 -3.6310 -3.6296 -3.2861 -3.2841 -3.2547 -3.2545 -3.0378 -3.0370 -2.3617 -2.3614 -1.8978 -1.8972 -1.6992 -1.6991 -1.6972 -1.6965 -1.4896 -1.4895 -1.4837 -1.4836 4.4804 4.4823 4.7233 4.7235 4.9600 4.9620 5.0815 5.0818 6.4852 6.4853 k = 0.0000 0.1897-0.0000 ( 9363 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.0799 -9.0799 -7.6550 -7.6549 -7.4948 -7.4947 -7.2370 -7.2369 -4.8869 -4.8869 -3.7467 -3.7463 -3.6592 -3.6577 -3.2960 -3.2940 -3.2369 -3.2367 -3.0090 -3.0081 -2.3510 -2.3506 -1.9252 -1.9246 -1.7144 -1.7139 -1.7130 -1.7126 -1.5013 -1.5013 -1.4949 -1.4948 4.5099 4.5118 4.7485 4.7487 5.0197 5.0217 5.1238 5.1242 6.5515 6.5516 k = 0.0000 0.2069-0.0000 ( 9357 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.0579 -9.0579 -7.6451 -7.6450 -7.5411 -7.5410 -7.2421 -7.2421 -4.8562 -4.8561 -3.7398 -3.7393 -3.6896 -3.6881 -3.3051 -3.3031 -3.2174 -3.2172 -2.9781 -2.9772 -2.3415 -2.3411 -1.9539 -1.9533 -1.7320 -1.7307 -1.7300 -1.7295 -1.5130 -1.5130 -1.5063 -1.5062 4.5430 4.5449 4.7766 4.7768 5.0819 5.0839 5.1683 5.1687 6.6229 6.6229 k = 0.0000 0.2241-0.0000 ( 9353 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -9.0341 -9.0340 -7.6346 -7.6345 -7.5893 -7.5891 -7.2478 -7.2478 -4.8244 -4.8244 -3.7321 -3.7317 -3.7218 -3.7204 -3.3135 -3.3116 -3.1963 -3.1961 -2.9452 -2.9444 -2.3334 -2.3331 -1.9836 -1.9831 -1.7517 -1.7506 -1.7474 -1.7470 -1.5246 -1.5245 -1.5177 -1.5176 4.5796 4.5816 4.8077 4.8080 5.1459 5.1479 5.2145 5.2149 6.6988 6.6988 k = 0.0000 0.2414-0.0000 ( 9349 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -9.0084 -9.0084 -7.6401 -7.6398 -7.6226 -7.6223 -7.2541 -7.2541 -4.7919 -4.7918 -3.7555 -3.7541 -3.7236 -3.7231 -3.3217 -3.3197 -3.1736 -3.1734 -2.9107 -2.9098 -2.3271 -2.3267 -2.0139 -2.0135 -1.7734 -1.7723 -1.7659 -1.7655 -1.5358 -1.5357 -1.5289 -1.5288 4.6195 4.6215 4.8417 4.8419 5.2111 5.2130 5.2619 5.2624 6.7786 6.7786 k = 0.0000 0.2586-0.0000 ( 9357 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9810 -8.9809 -7.6907 -7.6907 -7.6111 -7.6110 -7.2609 -7.2609 -4.7588 -4.7587 -3.7903 -3.7889 -3.7144 -3.7139 -3.3297 -3.3278 -3.1493 -3.1491 -2.8745 -2.8736 -2.3228 -2.3225 -2.0443 -2.0439 -1.7969 -1.7958 -1.7854 -1.7851 -1.5465 -1.5464 -1.5398 -1.5397 4.6625 4.6645 4.8783 4.8785 5.2767 5.2787 5.3102 5.3107 6.8598 6.8601 k = 0.0000 0.2759-0.0000 ( 9355 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9518 -8.9517 -7.7429 -7.7429 -7.5987 -7.5987 -7.2683 -7.2683 -4.7253 -4.7252 -3.8258 -3.8245 -3.7044 -3.7039 -3.3380 -3.3361 -3.1235 -3.1233 -2.8369 -2.8360 -2.3211 -2.3208 -2.0738 -2.0735 -1.8222 -1.8211 -1.8059 -1.8056 -1.5567 -1.5566 -1.5503 -1.5502 4.7083 4.7103 4.9171 4.9174 5.3420 5.3440 5.3588 5.3593 6.9272 6.9272 k = 0.0000 0.2931-0.0000 ( 9379 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9209 -8.9208 -7.7960 -7.7959 -7.5858 -7.5858 -7.2763 -7.2762 -4.6915 -4.6914 -3.8617 -3.8605 -3.6935 -3.6930 -3.3467 -3.3449 -3.0962 -3.0960 -2.7981 -2.7971 -2.3229 -2.3226 -2.1014 -2.1012 -1.8490 -1.8480 -1.8271 -1.8268 -1.5663 -1.5662 -1.5603 -1.5602 4.7566 4.7585 4.9578 4.9581 5.4060 5.4073 5.4077 5.4081 6.9741 6.9746 k = 0.0000 0.3103-0.0000 ( 9377 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.8882 -8.8882 -7.8496 -7.8496 -7.5725 -7.5725 -7.2848 -7.2848 -4.6575 -4.6574 -3.8980 -3.8968 -3.6819 -3.6814 -3.3560 -3.3542 -3.0675 -3.0674 -2.7581 -2.7571 -2.3291 -2.3290 -2.1256 -2.1255 -1.8775 -1.8764 -1.8489 -1.8486 -1.5751 -1.5751 -1.5698 -1.5696 4.8068 4.8087 4.9999 5.0002 5.4547 5.4553 5.4681 5.4701 7.0181 7.0188 k = 0.0000 0.3276-0.0000 ( 9383 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.8540 -8.8539 -7.9037 -7.9036 -7.5588 -7.5588 -7.2940 -7.2939 -4.6234 -4.6233 -3.9342 -3.9331 -3.6695 -3.6689 -3.3660 -3.3643 -3.0375 -3.0373 -2.7172 -2.7162 -2.3412 -2.3412 -2.1448 -2.1448 -1.9074 -1.9064 -1.8712 -1.8709 -1.5833 -1.5832 -1.5785 -1.5783 4.8586 4.8604 5.0427 5.0430 5.5009 5.5015 5.5270 5.5289 7.0616 7.0625 k = 0.0000 0.3448-0.0000 ( 9395 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.8180 -8.8180 -7.9579 -7.9578 -7.5448 -7.5448 -7.3037 -7.3036 -4.5894 -4.5892 -3.9704 -3.9694 -3.6562 -3.6556 -3.3768 -3.3752 -3.0061 -3.0060 -2.6755 -2.6745 -2.3599 -2.3598 -2.1582 -2.1581 -1.9386 -1.9376 -1.8938 -1.8935 -1.5907 -1.5907 -1.5866 -1.5864 4.9113 4.9131 5.0854 5.0857 5.5450 5.5457 5.5818 5.5837 7.1047 7.1057 k = 0.0000 0.3621-0.0000 ( 9411 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.7805 -8.7805 -8.0121 -8.0120 -7.5305 -7.5305 -7.3139 -7.3139 -4.5553 -4.5551 -4.0065 -4.0055 -3.6423 -3.6416 -3.3886 -3.3870 -2.9735 -2.9734 -2.6331 -2.6322 -2.3847 -2.3846 -2.1656 -2.1655 -1.9710 -1.9700 -1.9165 -1.9162 -1.5974 -1.5973 -1.5939 -1.5937 4.9642 4.9660 5.1272 5.1275 5.5865 5.5872 5.6315 5.6334 7.1473 7.1485 k = 0.0000 0.3793-0.0000 ( 9401 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.7415 -8.7414 -8.0661 -8.0661 -7.5159 -7.5159 -7.3248 -7.3247 -4.5213 -4.5211 -4.0423 -4.0413 -3.6276 -3.6269 -3.4013 -3.3998 -2.9398 -2.9396 -2.5903 -2.5894 -2.4147 -2.4145 -2.1682 -2.1680 -2.0042 -2.0033 -1.9390 -1.9388 -1.6033 -1.6032 -1.6004 -1.6002 5.0167 5.0184 5.1670 5.1673 5.6249 5.6256 5.6753 5.6770 7.1895 7.1908 k = 0.0000 0.3966-0.0000 ( 9379 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.7009 -8.7009 -8.1199 -8.1198 -7.5013 -7.5013 -7.3361 -7.3361 -4.4874 -4.4871 -4.0778 -4.0769 -3.6122 -3.6115 -3.4149 -3.4135 -2.9050 -2.9048 -2.5473 -2.5463 -2.4482 -2.4481 -2.1676 -2.1673 -2.0377 -2.0368 -1.9614 -1.9612 -1.6085 -1.6084 -1.6061 -1.6059 5.0678 5.0694 5.2035 5.2039 5.6597 5.6603 5.7123 5.7140 7.2318 7.2331 k = 0.0000 0.4138-0.0000 ( 9379 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6589 -8.6589 -8.1732 -8.1732 -7.4866 -7.4866 -7.3480 -7.3480 -4.4536 -4.4532 -4.1130 -4.1122 -3.5963 -3.5955 -3.4294 -3.4280 -2.8691 -2.8690 -2.5040 -2.5030 -2.4843 -2.4841 -2.1662 -2.1658 -2.0698 -2.0690 -1.9833 -1.9831 -1.6128 -1.6127 -1.6110 -1.6108 5.1164 5.1180 5.2354 5.2359 5.6905 5.6912 5.7419 5.7435 7.2745 7.2759 k = 0.0000 0.4310-0.0000 ( 9393 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6155 -8.6155 -8.2260 -8.2259 -7.4718 -7.4718 -7.3604 -7.3604 -4.4198 -4.4195 -4.1479 -4.1471 -3.5798 -3.5790 -3.4446 -3.4434 -2.8324 -2.8323 -2.5220 -2.5218 -2.4608 -2.4598 -2.1692 -2.1686 -2.0959 -2.0954 -2.0046 -2.0044 -1.6164 -1.6163 -1.6150 -1.6148 5.1615 5.1630 5.2613 5.2619 5.7171 5.7179 5.7640 5.7656 7.3186 7.3200 k = 0.0000 0.4483-0.0000 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5708 -8.5707 -8.2781 -8.2780 -7.4571 -7.4571 -7.3732 -7.3732 -4.3861 -4.3857 -4.1825 -4.1818 -3.5630 -3.5621 -3.4606 -3.4594 -2.7949 -2.7947 -2.5606 -2.5605 -2.4178 -2.4168 -2.1857 -2.1848 -2.1074 -2.1072 -2.0251 -2.0249 -1.6191 -1.6190 -1.6181 -1.6180 5.2018 5.2032 5.2798 5.2804 5.7397 5.7406 5.7787 5.7801 7.3648 7.3662 k = 0.0000 0.4655-0.0000 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5248 -8.5247 -8.3294 -8.3293 -7.4426 -7.4426 -7.3864 -7.3864 -4.3524 -4.3520 -4.2168 -4.2162 -3.5458 -3.5450 -3.4771 -3.4760 -2.7567 -2.7565 -2.5999 -2.5997 -2.3752 -2.3742 -2.2159 -2.2149 -2.1041 -2.1040 -2.0445 -2.0444 -1.6211 -1.6209 -1.6204 -1.6203 5.2360 5.2372 5.2897 5.2904 5.7582 5.7591 5.7861 5.7874 7.4136 7.4149 k = 0.0000 0.4828-0.0000 ( 9386 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4776 -8.4775 -8.3798 -8.3797 -7.4281 -7.4281 -7.4000 -7.4000 -4.3187 -4.3182 -4.2509 -4.2503 -3.5285 -3.5276 -3.4940 -3.4930 -2.7179 -2.7178 -2.6393 -2.6391 -2.3332 -2.3322 -2.2526 -2.2516 -2.0934 -2.0934 -2.0626 -2.0626 -1.6222 -1.6220 -1.6219 -1.6217 5.2628 5.2639 5.2902 5.2911 5.7725 5.7735 5.7871 5.7883 7.4655 7.4667 k = 0.0000 0.5000-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4292 -8.4292 -8.4291 -8.4291 -7.4139 -7.4139 -7.4139 -7.4139 -4.2849 -4.2849 -4.2843 -4.2843 -3.5112 -3.5112 -3.5102 -3.5102 -2.6788 -2.6788 -2.6786 -2.6786 -2.2922 -2.2922 -2.2911 -2.2911 -2.0792 -2.0792 -2.0791 -2.0791 -1.6224 -1.6224 -1.6223 -1.6223 5.2811 5.2811 5.2821 5.2821 5.7823 5.7823 5.7834 5.7834 7.5201 7.5202 k = 0.0000 0.5000-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4292 -8.4292 -8.4291 -8.4291 -7.4139 -7.4139 -7.4139 -7.4139 -4.2849 -4.2849 -4.2843 -4.2843 -3.5112 -3.5112 -3.5102 -3.5102 -2.6788 -2.6788 -2.6786 -2.6786 -2.2922 -2.2922 -2.2911 -2.2911 -2.0792 -2.0792 -2.0791 -2.0791 -1.6224 -1.6224 -1.6223 -1.6223 5.2811 5.2811 5.2821 5.2821 5.7823 5.7823 5.7834 5.7834 7.5201 7.5201 k = 0.0172 0.5000-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4285 -8.4285 -8.4284 -8.4284 -7.4145 -7.4145 -7.4144 -7.4144 -4.2862 -4.2862 -4.2856 -4.2856 -3.5109 -3.5109 -3.5099 -3.5099 -2.6825 -2.6825 -2.6823 -2.6823 -2.2941 -2.2941 -2.2931 -2.2931 -2.0734 -2.0733 -2.0733 -2.0732 -1.6214 -1.6214 -1.6213 -1.6213 5.2826 5.2826 5.2836 5.2836 5.7838 5.7838 5.7848 5.7849 7.5200 7.5208 k = 0.0345 0.5000-0.0000 ( 9366 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4264 -8.4264 -8.4263 -8.4263 -7.4161 -7.4161 -7.4160 -7.4160 -4.2900 -4.2900 -4.2895 -4.2895 -3.5101 -3.5101 -3.5091 -3.5091 -2.6933 -2.6933 -2.6931 -2.6930 -2.2991 -2.2991 -2.2981 -2.2981 -2.0570 -2.0569 -2.0568 -2.0568 -1.6183 -1.6183 -1.6181 -1.6181 5.2871 5.2871 5.2881 5.2881 5.7880 5.7880 5.7892 5.7892 7.5198 7.5199 k = 0.0517 0.5000-0.0000 ( 9368 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4230 -8.4229 -8.4229 -8.4228 -7.4187 -7.4187 -7.4186 -7.4186 -4.2963 -4.2963 -4.2957 -4.2957 -3.5089 -3.5089 -3.5079 -3.5079 -2.7104 -2.7103 -2.7101 -2.7101 -2.3058 -2.3058 -2.3048 -2.3048 -2.0323 -2.0322 -2.0321 -2.0320 -1.6131 -1.6131 -1.6129 -1.6129 5.2945 5.2945 5.2955 5.2955 5.7951 5.7951 5.7963 5.7963 7.5195 7.5196 k = 0.0690 0.5000-0.0000 ( 9366 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4181 -8.4181 -8.4180 -8.4180 -7.4225 -7.4225 -7.4223 -7.4223 -4.3048 -4.3048 -4.3042 -4.3042 -3.5076 -3.5076 -3.5067 -3.5067 -2.7324 -2.7324 -2.7322 -2.7321 -2.3129 -2.3129 -2.3120 -2.3120 -2.0017 -2.0017 -2.0015 -2.0014 -1.6059 -1.6059 -1.6057 -1.6056 5.3048 5.3048 5.3059 5.3059 5.8050 5.8050 5.8062 5.8062 7.5192 7.5203 k = 0.0862 0.5000-0.0000 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4119 -8.4119 -8.4118 -8.4118 -7.4273 -7.4273 -7.4271 -7.4271 -4.3152 -4.3152 -4.3145 -4.3145 -3.5066 -3.5066 -3.5057 -3.5057 -2.7580 -2.7580 -2.7577 -2.7577 -2.3200 -2.3199 -2.3190 -2.3190 -1.9672 -1.9671 -1.9669 -1.9669 -1.5966 -1.5966 -1.5963 -1.5963 5.3181 5.3181 5.3191 5.3191 5.8176 5.8176 5.8189 5.8189 7.5191 7.5191 k = 0.1034 0.5000-0.0000 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4044 -8.4044 -8.4043 -8.4042 -7.4332 -7.4331 -7.4329 -7.4329 -4.3272 -4.3272 -4.3265 -4.3264 -3.5063 -3.5063 -3.5054 -3.5054 -2.7857 -2.7856 -2.7853 -2.7853 -2.3268 -2.3268 -2.3258 -2.3258 -1.9302 -1.9301 -1.9299 -1.9298 -1.5852 -1.5852 -1.5849 -1.5849 5.3343 5.3343 5.3353 5.3353 5.8329 5.8329 5.8342 5.8343 7.5192 7.5193 k = 0.1207 0.5000-0.0000 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3955 -8.3955 -8.3954 -8.3954 -7.4401 -7.4401 -7.4398 -7.4398 -4.3404 -4.3404 -4.3396 -4.3396 -3.5073 -3.5073 -3.5064 -3.5064 -2.8140 -2.8139 -2.8135 -2.8135 -2.3336 -2.3336 -2.3327 -2.3326 -1.8916 -1.8915 -1.8913 -1.8912 -1.5719 -1.5719 -1.5716 -1.5715 5.3534 5.3534 5.3544 5.3544 5.8507 5.8508 5.8522 5.8522 7.5197 7.5209 k = 0.1379 0.5000-0.0000 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3854 -8.3854 -8.3852 -8.3852 -7.4482 -7.4482 -7.4479 -7.4479 -4.3545 -4.3545 -4.3537 -4.3536 -3.5100 -3.5100 -3.5092 -3.5092 -2.8416 -2.8415 -2.8411 -2.8410 -2.3406 -2.3406 -2.3397 -2.3397 -1.8523 -1.8522 -1.8520 -1.8519 -1.5567 -1.5567 -1.5564 -1.5563 5.3752 5.3752 5.3762 5.3762 5.8711 5.8711 5.8727 5.8727 7.5206 7.5206 k = 0.1552 0.5000-0.0000 ( 9374 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3740 -8.3740 -8.3738 -8.3738 -7.4574 -7.4574 -7.4570 -7.4570 -4.3691 -4.3691 -4.3682 -4.3682 -3.5152 -3.5151 -3.5143 -3.5143 -2.8674 -2.8673 -2.8668 -2.8667 -2.3482 -2.3482 -2.3473 -2.3473 -1.8128 -1.8128 -1.8125 -1.8125 -1.5398 -1.5398 -1.5394 -1.5394 5.3998 5.3998 5.4009 5.4009 5.8939 5.8939 5.8955 5.8955 7.5222 7.5222 k = 0.1724 0.5000-0.0000 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3614 -8.3614 -8.3612 -8.3612 -7.4676 -7.4676 -7.4673 -7.4673 -4.3838 -4.3838 -4.3829 -4.3829 -3.5231 -3.5231 -3.5223 -3.5223 -2.8903 -2.8903 -2.8897 -2.8896 -2.3566 -2.3566 -2.3558 -2.3558 -1.7736 -1.7735 -1.7733 -1.7732 -1.5213 -1.5213 -1.5209 -1.5209 5.4271 5.4271 5.4282 5.4282 5.9189 5.9189 5.9207 5.9207 7.5243 7.5244 k = 0.1897 0.5000-0.0000 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3476 -8.3476 -8.3474 -8.3474 -7.4790 -7.4790 -7.4786 -7.4786 -4.3984 -4.3984 -4.3975 -4.3975 -3.5344 -3.5344 -3.5335 -3.5335 -2.9096 -2.9096 -2.9089 -2.9089 -2.3660 -2.3660 -2.3652 -2.3652 -1.7349 -1.7348 -1.7346 -1.7345 -1.5016 -1.5016 -1.5012 -1.5012 5.4570 5.4570 5.4580 5.4580 5.9460 5.9460 5.9479 5.9479 7.5268 7.5269 k = 0.2069 0.5000-0.0000 ( 9374 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3327 -8.3327 -8.3325 -8.3324 -7.4915 -7.4915 -7.4911 -7.4911 -4.4126 -4.4126 -4.4116 -4.4116 -3.5491 -3.5491 -3.5482 -3.5482 -2.9248 -2.9247 -2.9240 -2.9239 -2.3766 -2.3766 -2.3757 -2.3757 -1.6970 -1.6970 -1.6967 -1.6967 -1.4808 -1.4808 -1.4804 -1.4804 5.4894 5.4894 5.4904 5.4904 5.9751 5.9751 5.9770 5.9770 7.5292 7.5292 k = 0.2241 0.5000-0.0000 ( 9374 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3167 -8.3167 -8.3165 -8.3165 -7.5050 -7.5050 -7.5046 -7.5046 -4.4260 -4.4260 -4.4250 -4.4250 -3.5673 -3.5673 -3.5664 -3.5664 -2.9354 -2.9353 -2.9346 -2.9345 -2.3883 -2.3883 -2.3875 -2.3875 -1.6602 -1.6601 -1.6599 -1.6599 -1.4593 -1.4593 -1.4589 -1.4589 5.5241 5.5241 5.5251 5.5251 6.0059 6.0059 6.0079 6.0079 7.5301 7.5308 k = 0.2414 0.5000-0.0000 ( 9382 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2998 -8.2997 -8.2995 -8.2995 -7.5196 -7.5196 -7.5191 -7.5191 -4.4385 -4.4385 -4.4375 -4.4375 -3.5887 -3.5887 -3.5878 -3.5878 -2.9415 -2.9414 -2.9406 -2.9406 -2.4013 -2.4013 -2.4005 -2.4005 -1.6246 -1.6245 -1.6243 -1.6243 -1.4374 -1.4373 -1.4370 -1.4369 5.5609 5.5609 5.5620 5.5620 6.0381 6.0382 6.0402 6.0403 7.5255 7.5256 k = 0.2586 0.5000-0.0000 ( 9382 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2819 -8.2819 -8.2816 -8.2816 -7.5352 -7.5352 -7.5347 -7.5347 -4.4499 -4.4499 -4.4489 -4.4489 -3.6129 -3.6129 -3.6120 -3.6120 -2.9432 -2.9432 -2.9424 -2.9424 -2.4156 -2.4156 -2.4148 -2.4148 -1.5903 -1.5903 -1.5901 -1.5900 -1.4153 -1.4153 -1.4149 -1.4149 5.5998 5.5998 5.6009 5.6009 6.0717 6.0717 6.0739 6.0739 7.5073 7.5073 k = 0.2759 0.5000-0.0000 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2632 -8.2632 -8.2629 -8.2629 -7.5516 -7.5516 -7.5512 -7.5512 -4.4601 -4.4600 -4.4591 -4.4590 -3.6392 -3.6392 -3.6383 -3.6383 -2.9410 -2.9410 -2.9402 -2.9402 -2.4311 -2.4311 -2.4303 -2.4303 -1.5576 -1.5576 -1.5573 -1.5573 -1.3935 -1.3935 -1.3932 -1.3932 5.6405 5.6405 5.6415 5.6415 6.1062 6.1062 6.1084 6.1085 7.4691 7.4691 k = 0.2931 0.5000-0.0000 ( 9378 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2438 -8.2437 -8.2435 -8.2435 -7.5690 -7.5690 -7.5685 -7.5685 -4.4689 -4.4689 -4.4679 -4.4679 -3.6671 -3.6671 -3.6662 -3.6662 -2.9353 -2.9353 -2.9345 -2.9344 -2.4478 -2.4478 -2.4470 -2.4470 -1.5265 -1.5265 -1.5263 -1.5262 -1.3723 -1.3723 -1.3719 -1.3719 5.6827 5.6827 5.6837 5.6837 6.1414 6.1414 6.1437 6.1437 7.4177 7.4178 k = 0.3103 0.5000-0.0000 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2238 -8.2237 -8.2235 -8.2234 -7.5871 -7.5871 -7.5866 -7.5866 -4.4764 -4.4763 -4.4754 -4.4754 -3.6958 -3.6958 -3.6950 -3.6950 -2.9265 -2.9264 -2.9256 -2.9256 -2.4655 -2.4655 -2.4648 -2.4648 -1.4972 -1.4972 -1.4970 -1.4969 -1.3518 -1.3518 -1.3515 -1.3515 5.7260 5.7260 5.7271 5.7271 6.1769 6.1769 6.1792 6.1793 7.3611 7.3612 k = 0.3276 0.5000-0.0000 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2033 -8.2033 -8.2030 -8.2030 -7.6058 -7.6058 -7.6053 -7.6053 -4.4824 -4.4824 -4.4815 -4.4815 -3.7247 -3.7247 -3.7239 -3.7239 -2.9150 -2.9149 -2.9142 -2.9142 -2.4843 -2.4843 -2.4835 -2.4835 -1.4699 -1.4698 -1.4696 -1.4696 -1.3324 -1.3324 -1.3321 -1.3321 5.7702 5.7702 5.7713 5.7713 6.2123 6.2123 6.2147 6.2147 7.3029 7.3029 k = 0.3448 0.5000-0.0000 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1826 -8.1825 -8.1822 -8.1822 -7.6249 -7.6249 -7.6244 -7.6244 -4.4871 -4.4871 -4.4862 -4.4862 -3.7531 -3.7531 -3.7524 -3.7523 -2.9013 -2.9012 -2.9005 -2.9005 -2.5039 -2.5039 -2.5032 -2.5032 -1.4445 -1.4445 -1.4443 -1.4443 -1.3143 -1.3143 -1.3141 -1.3141 5.8148 5.8148 5.8158 5.8158 6.2473 6.2473 6.2497 6.2498 7.2446 7.2447 k = 0.3621 0.5000-0.0000 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1618 -8.1618 -8.1615 -8.1614 -7.6442 -7.6442 -7.6437 -7.6437 -4.4906 -4.4905 -4.4897 -4.4897 -3.7805 -3.7805 -3.7798 -3.7797 -2.8857 -2.8857 -2.8850 -2.8849 -2.5243 -2.5243 -2.5236 -2.5236 -1.4214 -1.4214 -1.4212 -1.4212 -1.2977 -1.2977 -1.2975 -1.2975 5.8591 5.8591 5.8601 5.8602 6.2814 6.2814 6.2839 6.2839 7.1874 7.1874 k = 0.3793 0.5000-0.0000 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1412 -8.1412 -8.1409 -8.1409 -7.6635 -7.6635 -7.6631 -7.6630 -4.4929 -4.4929 -4.4921 -4.4921 -3.8062 -3.8062 -3.8055 -3.8055 -2.8686 -2.8686 -2.8679 -2.8679 -2.5453 -2.5453 -2.5446 -2.5446 -1.4006 -1.4006 -1.4004 -1.4004 -1.2827 -1.2827 -1.2825 -1.2825 5.9026 5.9026 5.9036 5.9036 6.3142 6.3142 6.3166 6.3167 7.1318 7.1319 k = 0.3966 0.5000-0.0000 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1213 -8.1212 -8.1209 -8.1209 -7.6824 -7.6824 -7.6820 -7.6820 -4.4942 -4.4942 -4.4935 -4.4935 -3.8298 -3.8298 -3.8292 -3.8292 -2.8503 -2.8502 -2.8496 -2.8496 -2.5667 -2.5667 -2.5661 -2.5661 -1.3823 -1.3822 -1.3821 -1.3820 -1.2695 -1.2695 -1.2694 -1.2694 5.9443 5.9443 5.9452 5.9452 6.3451 6.3452 6.3476 6.3476 7.0789 7.0789 k = 0.4138 0.5000-0.0000 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1023 -8.1023 -8.1020 -8.1020 -7.7004 -7.7004 -7.7000 -7.7000 -4.4948 -4.4948 -4.4942 -4.4942 -3.8507 -3.8507 -3.8502 -3.8502 -2.8311 -2.8311 -2.8305 -2.8304 -2.5884 -2.5884 -2.5878 -2.5878 -1.3665 -1.3665 -1.3663 -1.3663 -1.2582 -1.2582 -1.2581 -1.2581 5.9832 5.9832 5.9841 5.9841 6.3738 6.3738 6.3761 6.3761 7.0295 7.0295 k = 0.4310 0.5000-0.0000 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0850 -8.0850 -8.0848 -8.0847 -7.7169 -7.7169 -7.7166 -7.7166 -4.4948 -4.4948 -4.4943 -4.4943 -3.8686 -3.8686 -3.8681 -3.8681 -2.8114 -2.8114 -2.8108 -2.8108 -2.6100 -2.6100 -2.6094 -2.6094 -1.3534 -1.3534 -1.3532 -1.3532 -1.2489 -1.2489 -1.2488 -1.2488 6.0181 6.0181 6.0188 6.0189 6.3995 6.3995 6.4016 6.4016 6.9849 6.9850 k = 0.4483 0.5000-0.0000 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0701 -8.0701 -8.0699 -8.0699 -7.7313 -7.7312 -7.7310 -7.7310 -4.4945 -4.4945 -4.4942 -4.4941 -3.8829 -3.8829 -3.8826 -3.8826 -2.7918 -2.7918 -2.7913 -2.7913 -2.6310 -2.6310 -2.6305 -2.6305 -1.3431 -1.3431 -1.3430 -1.3430 -1.2416 -1.2416 -1.2415 -1.2415 6.0475 6.0475 6.0481 6.0482 6.4214 6.4214 6.4233 6.4233 6.9468 6.9469 k = 0.4655 0.5000-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0584 -8.0584 -8.0583 -8.0582 -7.7425 -7.7425 -7.7423 -7.7422 -4.4941 -4.4941 -4.4939 -4.4938 -3.8934 -3.8934 -3.8932 -3.8932 -2.7734 -2.7733 -2.7729 -2.7729 -2.6504 -2.6504 -2.6500 -2.6500 -1.3357 -1.3357 -1.3356 -1.3356 -1.2363 -1.2363 -1.2362 -1.2362 6.0700 6.0700 6.0705 6.0705 6.4386 6.4386 6.4400 6.4400 6.9173 6.9173 k = 0.4828 0.5000-0.0000 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0509 -8.0509 -8.0508 -8.0508 -7.7497 -7.7497 -7.7495 -7.7495 -4.4938 -4.4937 -4.4937 -4.4936 -3.8998 -3.8998 -3.8997 -3.8997 -2.7584 -2.7584 -2.7581 -2.7580 -2.6659 -2.6659 -2.6656 -2.6656 -1.3312 -1.3312 -1.3311 -1.3311 -1.2331 -1.2331 -1.2331 -1.2331 6.0842 6.0842 6.0845 6.0845 6.4499 6.4499 6.4507 6.4507 6.8984 6.8985 k = 0.5000 0.5000-0.0000 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0483 -8.0483 -8.0482 -8.0482 -7.7521 -7.7521 -7.7521 -7.7521 -4.4936 -4.4936 -4.4936 -4.4936 -3.9019 -3.9019 -3.9019 -3.9019 -2.7519 -2.7519 -2.7519 -2.7519 -2.6722 -2.6722 -2.6722 -2.6722 -1.3297 -1.3297 -1.3296 -1.3296 -1.2321 -1.2321 -1.2321 -1.2321 6.0891 6.0891 6.0892 6.0892 6.4541 6.4541 6.4541 6.4541 6.8922 6.8922 k = 0.5000 0.5000-0.0000 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0483 -8.0483 -8.0482 -8.0482 -7.7521 -7.7521 -7.7521 -7.7521 -4.4936 -4.4936 -4.4936 -4.4936 -3.9019 -3.9019 -3.9019 -3.9019 -2.7519 -2.7519 -2.7519 -2.7519 -2.6722 -2.6722 -2.6722 -2.6722 -1.3297 -1.3297 -1.3296 -1.3296 -1.2321 -1.2321 -1.2321 -1.2321 6.0891 6.0891 6.0892 6.0892 6.4541 6.4541 6.4541 6.4541 6.8922 6.8922 k = 0.4878 0.4878-0.0000 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0543 -8.0543 -8.0474 -8.0474 -7.7515 -7.7515 -7.7478 -7.7477 -4.4947 -4.4945 -4.4928 -4.4928 -3.9012 -3.9012 -3.8983 -3.8982 -2.7637 -2.7633 -2.7522 -2.7521 -2.6725 -2.6724 -2.6599 -2.6596 -1.3320 -1.3320 -1.3303 -1.3303 -1.2342 -1.2342 -1.2321 -1.2320 6.0809 6.0810 6.0877 6.0878 6.4488 6.4498 6.4513 6.4513 6.8957 6.8959 k = 0.4756 0.4756-0.0000 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0713 -8.0713 -8.0447 -8.0447 -7.7495 -7.7495 -7.7359 -7.7358 -4.4976 -4.4973 -4.4906 -4.4904 -3.8991 -3.8991 -3.8877 -3.8874 -2.7877 -2.7872 -2.7529 -2.7528 -2.6733 -2.6732 -2.6333 -2.6329 -1.3389 -1.3389 -1.3323 -1.3322 -1.2406 -1.2406 -1.2320 -1.2320 6.0569 6.0570 6.0833 6.0835 6.4350 6.4368 6.4430 6.4430 6.9063 6.9067 k = 0.4634 0.4634-0.0000 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0968 -8.0968 -8.0403 -8.0403 -7.7463 -7.7463 -7.7187 -7.7187 -4.5020 -4.5016 -4.4867 -4.4865 -3.8956 -3.8956 -3.8705 -3.8700 -2.8146 -2.8140 -2.7541 -2.7540 -2.6746 -2.6745 -2.6019 -2.6015 -1.3503 -1.3503 -1.3355 -1.3355 -1.2511 -1.2510 -1.2321 -1.2320 6.0191 6.0191 6.0756 6.0760 6.4154 6.4176 6.4290 6.4290 6.9244 6.9250 k = 0.4512 0.4512-0.0000 ( 9374 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1285 -8.1285 -8.0342 -8.0342 -7.7417 -7.7417 -7.6988 -7.6987 -4.5076 -4.5070 -4.4812 -4.4809 -3.8907 -3.8907 -3.8474 -3.8468 -2.8412 -2.8406 -2.7558 -2.7556 -2.6765 -2.6764 -2.5688 -2.5683 -1.3658 -1.3658 -1.3399 -1.3399 -1.2654 -1.2653 -1.2324 -1.2323 5.9699 5.9700 6.0644 6.0648 6.3917 6.3940 6.4092 6.4092 6.9503 6.9510 k = 0.4390 0.4390-0.0000 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1645 -8.1644 -8.0263 -8.0263 -7.7359 -7.7359 -7.6778 -7.6778 -4.5138 -4.5131 -4.4741 -4.4736 -3.8845 -3.8845 -3.8193 -3.8186 -2.8664 -2.8658 -2.7580 -2.7578 -2.6789 -2.6788 -2.5348 -2.5344 -1.3854 -1.3854 -1.3454 -1.3454 -1.2833 -1.2832 -1.2331 -1.2330 5.9122 5.9125 6.0490 6.0496 6.3651 6.3674 6.3834 6.3834 6.9840 6.9849 k = 0.4268 0.4268-0.0000 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2034 -8.2033 -8.0167 -8.0167 -7.7289 -7.7289 -7.6571 -7.6571 -4.5204 -4.5196 -4.4651 -4.4646 -3.8769 -3.8769 -3.7873 -3.7865 -2.8896 -2.8889 -2.7608 -2.7605 -2.6820 -2.6819 -2.5006 -2.5002 -1.4088 -1.4087 -1.3519 -1.3518 -1.3043 -1.3041 -1.2343 -1.2342 5.8483 5.8487 6.0293 6.0300 6.3362 6.3383 6.3516 6.3516 7.0252 7.0263 k = 0.4146 0.4146-0.0000 ( 9378 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2443 -8.2442 -8.0055 -8.0055 -7.7206 -7.7206 -7.6376 -7.6375 -4.5270 -4.5262 -4.4542 -4.4537 -3.8680 -3.8680 -3.7523 -3.7514 -2.9101 -2.9093 -2.7640 -2.7636 -2.6859 -2.6857 -2.4665 -2.4660 -1.4357 -1.4356 -1.3592 -1.3592 -1.3279 -1.3277 -1.2361 -1.2359 5.7800 5.7806 6.0047 6.0055 6.3052 6.3071 6.3137 6.3137 7.0728 7.0739 k = 0.4024 0.4024-0.0000 ( 9386 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2865 -8.2865 -7.9925 -7.9925 -7.7111 -7.7111 -7.6196 -7.6196 -4.5335 -4.5326 -4.4414 -4.4408 -3.8577 -3.8577 -3.7154 -3.7145 -2.9274 -2.9267 -2.7676 -2.7672 -2.6904 -2.6903 -2.4326 -2.4321 -1.4658 -1.4657 -1.3673 -1.3673 -1.3537 -1.3535 -1.2384 -1.2383 5.7089 5.7097 5.9753 5.9762 6.2698 6.2698 6.2724 6.2742 7.1242 7.1256 k = 0.3902 0.3902-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3297 -8.3296 -7.9779 -7.9779 -7.7004 -7.7004 -7.6037 -7.6036 -4.5399 -4.5390 -4.4266 -4.4259 -3.8462 -3.8462 -3.6776 -3.6767 -2.9413 -2.9405 -2.7714 -2.7709 -2.6958 -2.6956 -2.3991 -2.3986 -1.4989 -1.4988 -1.3810 -1.3808 -1.3760 -1.3760 -1.2414 -1.2412 5.6361 5.6370 5.9410 5.9420 6.2202 6.2202 6.2379 6.2396 7.1754 7.1769 k = 0.3780 0.3780-0.0000 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3733 -8.3732 -7.9617 -7.9617 -7.6886 -7.6886 -7.5899 -7.5899 -4.5462 -4.5453 -4.4096 -4.4088 -3.8334 -3.8334 -3.6401 -3.6392 -2.9513 -2.9505 -2.7750 -2.7745 -2.7021 -2.7019 -2.3661 -2.3656 -1.5347 -1.5346 -1.4091 -1.4089 -1.3853 -1.3853 -1.2449 -1.2448 5.5625 5.5635 5.9023 5.9034 6.1652 6.1652 6.2018 6.2033 7.2201 7.2216 k = 0.3659 0.3659-0.0000 ( 9386 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4171 -8.4170 -7.9439 -7.9439 -7.6757 -7.6757 -7.5785 -7.5785 -4.5526 -4.5517 -4.3905 -4.3897 -3.8193 -3.8193 -3.6039 -3.6030 -2.9577 -2.9569 -2.7778 -2.7773 -2.7094 -2.7092 -2.3338 -2.3332 -1.5729 -1.5727 -1.4376 -1.4374 -1.3951 -1.3950 -1.2492 -1.2490 5.4886 5.4897 5.8596 5.8607 6.1055 6.1055 6.1640 6.1653 7.2532 7.2545 k = 0.3537 0.3537-0.0000 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4608 -8.4607 -7.9245 -7.9245 -7.6617 -7.6617 -7.5694 -7.5694 -4.5593 -4.5585 -4.3694 -4.3685 -3.8041 -3.8041 -3.5698 -3.5690 -2.9610 -2.9602 -2.7786 -2.7780 -2.7178 -2.7176 -2.3021 -2.3016 -1.6130 -1.6127 -1.4657 -1.4654 -1.4052 -1.4052 -1.2540 -1.2539 5.4150 5.4162 5.8135 5.8146 6.0417 6.0417 6.1242 6.1254 7.2737 7.2747 k = 0.3415 0.3415-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5043 -8.5042 -7.9037 -7.9037 -7.6468 -7.6468 -7.5627 -7.5626 -4.5666 -4.5658 -4.3462 -4.3453 -3.7877 -3.7877 -3.5388 -3.5380 -2.9626 -2.9618 -2.7756 -2.7750 -2.7275 -2.7272 -2.2713 -2.2708 -1.6547 -1.6544 -1.4927 -1.4925 -1.4156 -1.4156 -1.2594 -1.2593 5.3422 5.3435 5.7645 5.7657 5.9744 5.9745 6.0823 6.0834 7.2829 7.2837 k = 0.3293 0.3293-0.0000 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5473 -8.5472 -7.8814 -7.8814 -7.6309 -7.6309 -7.5581 -7.5581 -4.5747 -4.5739 -4.3212 -4.3202 -3.7702 -3.7702 -3.5111 -3.5104 -2.9647 -2.9639 -2.7666 -2.7659 -2.7384 -2.7381 -2.2413 -2.2407 -1.6976 -1.6973 -1.5182 -1.5179 -1.4262 -1.4262 -1.2654 -1.2652 5.2706 5.2719 5.7134 5.7146 5.9045 5.9045 6.0382 6.0392 7.2825 7.2831 k = 0.3171 0.3171-0.0000 ( 9374 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5897 -8.5896 -7.8578 -7.8578 -7.6142 -7.6142 -7.5558 -7.5557 -4.5838 -4.5831 -4.2944 -4.2934 -3.7516 -3.7516 -3.4869 -3.4864 -2.9695 -2.9688 -2.7508 -2.7504 -2.7493 -2.7487 -2.2120 -2.2114 -1.7414 -1.7411 -1.5415 -1.5413 -1.4369 -1.4369 -1.2718 -1.2717 5.2004 5.2018 5.6607 5.6619 5.8326 5.8327 5.9918 5.9926 7.2666 7.2670 k = 0.3049 0.3049-0.0000 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6313 -8.6312 -7.8328 -7.8328 -7.5966 -7.5966 -7.5554 -7.5553 -4.5942 -4.5935 -4.2662 -4.2651 -3.7321 -3.7321 -3.4662 -3.4658 -2.9786 -2.9779 -2.7646 -2.7642 -2.7231 -2.7224 -2.1835 -2.1829 -1.7857 -1.7854 -1.5623 -1.5621 -1.4478 -1.4477 -1.2787 -1.2786 5.1320 5.1334 5.6068 5.6081 5.7595 5.7595 5.9430 5.9438 7.2331 7.2335 k = 0.2927 0.2927-0.0000 ( 9382 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6720 -8.6719 -7.8066 -7.8066 -7.5783 -7.5783 -7.5568 -7.5568 -4.6060 -4.6053 -4.2367 -4.2355 -3.7116 -3.7116 -3.4485 -3.4483 -2.9922 -2.9915 -2.7800 -2.7797 -2.6881 -2.6875 -2.1556 -2.1549 -1.8301 -1.8297 -1.5802 -1.5800 -1.4586 -1.4586 -1.2861 -1.2860 5.0657 5.0671 5.5522 5.5535 5.6858 5.6858 5.8921 5.8928 7.1993 7.1997 k = 0.2805 0.2805-0.0000 ( 9386 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.7117 -8.7116 -7.7792 -7.7792 -7.5601 -7.5601 -7.5591 -7.5591 -4.6194 -4.6188 -4.2061 -4.2049 -3.6902 -3.6902 -3.4335 -3.4334 -3.0095 -3.0089 -2.7972 -2.7968 -2.6457 -2.6451 -2.1282 -2.1276 -1.8742 -1.8738 -1.5950 -1.5948 -1.4694 -1.4694 -1.2937 -1.2936 5.0016 5.0031 5.4973 5.4986 5.6120 5.6120 5.8391 5.8397 7.1650 7.1654 k = 0.2683 0.2683-0.0000 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.7503 -8.7502 -7.7508 -7.7508 -7.5644 -7.5644 -7.5398 -7.5398 -4.6345 -4.6339 -4.1748 -4.1736 -3.6680 -3.6680 -3.4209 -3.4208 -3.0297 -3.0291 -2.8160 -2.8156 -2.5975 -2.5970 -2.1012 -2.1005 -1.9177 -1.9173 -1.6066 -1.6064 -1.4801 -1.4801 -1.3016 -1.3015 4.9401 4.9416 5.4423 5.4437 5.5387 5.5387 5.7843 5.7848 7.1301 7.1305 k = 0.2561 0.2561-0.0000 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.7877 -8.7876 -7.7214 -7.7214 -7.5701 -7.5701 -7.5198 -7.5198 -4.6513 -4.6508 -4.1429 -4.1417 -3.6452 -3.6452 -3.4108 -3.4105 -3.0516 -3.0509 -2.8366 -2.8361 -2.5450 -2.5445 -2.0744 -2.0737 -1.9603 -1.9598 -1.6151 -1.6149 -1.4907 -1.4907 -1.3098 -1.3097 4.8813 4.8828 5.3877 5.3891 5.4663 5.4664 5.7280 5.7284 7.0945 7.0949 k = 0.2439 0.2439-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.8238 -8.8237 -7.6911 -7.6911 -7.5770 -7.5769 -7.4995 -7.4995 -4.6699 -4.6694 -4.1108 -4.1095 -3.6217 -3.6216 -3.4031 -3.4028 -3.0740 -3.0733 -2.8588 -2.8584 -2.4895 -2.4890 -2.0476 -2.0469 -2.0017 -2.0013 -1.6204 -1.6202 -1.5011 -1.5011 -1.3180 -1.3179 4.8254 4.8270 5.3335 5.3350 5.3954 5.3954 5.6704 5.6707 7.0584 7.0587 k = 0.2317 0.2317-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.8586 -8.8585 -7.6602 -7.6602 -7.5846 -7.5846 -7.4789 -7.4789 -4.6902 -4.6898 -4.0786 -4.0773 -3.5976 -3.5976 -3.3984 -3.3980 -3.0956 -3.0949 -2.8827 -2.8822 -2.4319 -2.4315 -2.0417 -2.0413 -2.0206 -2.0198 -1.6229 -1.6227 -1.5114 -1.5114 -1.3262 -1.3261 4.7727 4.7743 5.2801 5.2816 5.3262 5.3263 5.6118 5.6121 7.0217 7.0221 k = 0.2195 0.2195-0.0000 ( 9406 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.8919 -8.8918 -7.6289 -7.6288 -7.5928 -7.5927 -7.4581 -7.4581 -4.7121 -4.7117 -4.0467 -4.0453 -3.5732 -3.5732 -3.3973 -3.3968 -3.1152 -3.1145 -2.9080 -2.9075 -2.3733 -2.3729 -2.0802 -2.0797 -1.9933 -1.9925 -1.6227 -1.6225 -1.5214 -1.5214 -1.3345 -1.3344 4.7231 4.7247 5.2275 5.2290 5.2591 5.2592 5.5527 5.5530 6.9842 6.9842 k = 0.2073 0.2073-0.0000 ( 9416 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.9237 -8.9236 -7.6043 -7.6039 -7.5945 -7.5941 -7.4373 -7.4373 -4.7354 -4.7351 -4.0151 -4.0138 -3.5485 -3.5484 -3.4004 -3.3999 -3.1318 -3.1309 -2.9346 -2.9341 -2.3145 -2.3140 -2.1169 -2.1165 -1.9657 -1.9648 -1.6200 -1.6198 -1.5312 -1.5312 -1.3426 -1.3425 4.6769 4.6785 5.1759 5.1775 5.1944 5.1946 5.4933 5.4935 6.9260 6.9261 k = 0.1951 0.1951-0.0000 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9540 -8.9539 -7.6117 -7.6116 -7.5637 -7.5636 -7.4166 -7.4166 -4.7601 -4.7599 -3.9842 -3.9829 -3.5236 -3.5236 -3.4079 -3.4074 -3.1445 -3.1436 -2.9621 -2.9616 -2.2560 -2.2555 -2.1519 -2.1515 -1.9376 -1.9367 -1.6151 -1.6150 -1.5407 -1.5407 -1.3505 -1.3504 4.6341 4.6358 5.1254 5.1272 5.1324 5.1327 5.4341 5.4343 6.8644 6.8644 k = 0.1829 0.1829-0.0000 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9826 -8.9826 -7.6210 -7.6209 -7.5315 -7.5314 -7.3962 -7.3961 -4.7859 -4.7857 -3.9542 -3.9528 -3.4988 -3.4988 -3.4196 -3.4192 -3.1533 -3.1523 -2.9903 -2.9898 -2.1987 -2.1981 -2.1852 -2.1847 -1.9091 -1.9082 -1.6082 -1.6081 -1.5499 -1.5499 -1.3581 -1.3581 4.5948 4.5965 5.0727 5.0732 5.0772 5.0782 5.3753 5.3755 6.8001 6.8002 k = 0.1707 0.1707-0.0000 ( 9394 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.0096 -9.0096 -7.6304 -7.6303 -7.4992 -7.4992 -7.3761 -7.3761 -4.8126 -4.8124 -3.9254 -3.9240 -3.4743 -3.4742 -3.4345 -3.4342 -3.1588 -3.1576 -3.0188 -3.0183 -2.2166 -2.2161 -2.1430 -2.1424 -1.8805 -1.8795 -1.5994 -1.5993 -1.5588 -1.5588 -1.3655 -1.3654 4.5591 4.5608 5.0169 5.0171 5.0292 5.0306 5.3176 5.3177 6.7343 6.7344 k = 0.1585 0.1585-0.0000 ( 9398 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.0349 -9.0349 -7.6397 -7.6397 -7.4673 -7.4673 -7.3565 -7.3565 -4.8398 -4.8397 -3.8980 -3.8967 -3.4515 -3.4515 -3.4500 -3.4497 -3.1618 -3.1605 -3.0471 -3.0466 -2.2462 -2.2458 -2.0896 -2.0890 -1.8519 -1.8508 -1.5888 -1.5888 -1.5673 -1.5673 -1.3725 -1.3724 4.5268 4.5286 4.9641 4.9642 4.9830 4.9845 5.2611 5.2613 6.6680 6.6681 k = 0.1463 0.1463-0.0000 ( 9408 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -9.0585 -9.0585 -7.6488 -7.6488 -7.4360 -7.4359 -7.3375 -7.3375 -4.8674 -4.8672 -3.8725 -3.8713 -3.4688 -3.4687 -3.4268 -3.4266 -3.1632 -3.1619 -3.0748 -3.0743 -2.2742 -2.2737 -2.0389 -2.0382 -1.8238 -1.8226 -1.5767 -1.5766 -1.5754 -1.5752 -1.3790 -1.3789 4.4981 4.4999 4.9147 4.9148 4.9384 4.9401 5.2066 5.2067 6.6024 6.6025 k = 0.1341 0.1341-0.0000 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.0803 -9.0803 -7.6576 -7.6576 -7.4055 -7.4054 -7.3194 -7.3194 -4.8948 -4.8947 -3.8493 -3.8482 -3.4854 -3.4854 -3.4045 -3.4043 -3.1640 -3.1626 -3.1013 -3.1007 -2.3003 -2.2999 -1.9915 -1.9908 -1.7965 -1.7953 -1.5832 -1.5831 -1.5627 -1.5627 -1.3851 -1.3850 4.4727 4.4746 4.8688 4.8689 4.8957 4.8974 5.1543 5.1545 6.5384 6.5385 k = 0.1220 0.1220-0.0000 ( 9394 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1003 -9.1003 -7.6660 -7.6659 -7.3761 -7.3761 -7.3022 -7.3022 -4.9218 -4.9217 -3.8289 -3.8279 -3.5002 -3.5001 -3.3838 -3.3836 -3.1646 -3.1632 -3.1259 -3.1253 -2.3248 -2.3244 -1.9477 -1.9470 -1.7704 -1.7692 -1.5904 -1.5904 -1.5474 -1.5474 -1.3907 -1.3906 4.4507 4.4526 4.8265 4.8266 4.8549 4.8566 5.1049 5.1051 6.4772 6.4773 k = 0.1098 0.1098-0.0000 ( 9385 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1185 -9.1185 -7.6738 -7.6738 -7.3481 -7.3481 -7.2862 -7.2862 -4.9480 -4.9479 -3.8118 -3.8109 -3.5120 -3.5118 -3.3654 -3.3651 -3.1656 -3.1642 -3.1479 -3.1473 -2.3476 -2.3472 -1.9081 -1.9073 -1.7460 -1.7447 -1.5971 -1.5971 -1.5307 -1.5307 -1.3957 -1.3957 4.4319 4.4337 4.7880 4.7881 4.8161 4.8179 5.0589 5.0590 6.4196 6.4197 k = 0.0976 0.0976-0.0000 ( 9373 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1349 -9.1348 -7.6810 -7.6810 -7.3219 -7.3219 -7.2713 -7.2713 -4.9729 -4.9729 -3.7984 -3.7976 -3.5203 -3.5199 -3.3498 -3.3496 -3.1674 -3.1669 -3.1655 -3.1652 -2.3685 -2.3682 -1.8728 -1.8721 -1.7234 -1.7221 -1.6033 -1.6033 -1.5132 -1.5131 -1.4002 -1.4002 4.4160 4.4179 4.7534 4.7534 4.7797 4.7815 5.0166 5.0168 6.3664 6.3665 k = 0.0854 0.0854-0.0000 ( 9377 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1493 -9.1493 -7.6875 -7.6875 -7.2978 -7.2978 -7.2578 -7.2578 -4.9963 -4.9962 -3.7889 -3.7882 -3.5246 -3.5242 -3.3382 -3.3379 -3.1806 -3.1800 -3.1690 -3.1677 -2.3876 -2.3873 -1.8422 -1.8414 -1.7028 -1.7016 -1.6089 -1.6089 -1.4952 -1.4952 -1.4042 -1.4042 4.4030 4.4048 4.7226 4.7227 4.7460 4.7477 4.9787 4.9788 6.3183 6.3183 k = 0.0732 0.0732-0.0000 ( 9373 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1619 -9.1619 -7.6933 -7.6933 -7.2760 -7.2760 -7.2459 -7.2459 -5.0175 -5.0175 -3.7829 -3.7824 -3.5254 -3.5249 -3.3312 -3.3309 -3.1894 -3.1889 -3.1716 -3.1704 -2.4047 -2.4044 -1.8163 -1.8156 -1.6844 -1.6833 -1.6138 -1.6138 -1.4776 -1.4775 -1.4077 -1.4077 4.3925 4.3942 4.6958 4.6959 4.7152 4.7169 4.9453 4.9454 6.2757 6.2758 k = 0.0610 0.0610-0.0000 ( 9365 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1725 -9.1725 -7.6983 -7.6982 -7.2569 -7.2569 -7.2355 -7.2355 -5.0363 -5.0363 -3.7799 -3.7795 -3.5233 -3.5228 -3.3288 -3.3285 -3.1931 -3.1927 -3.1745 -3.1735 -2.4196 -2.4194 -1.7950 -1.7944 -1.6682 -1.6672 -1.6181 -1.6181 -1.4610 -1.4609 -1.4106 -1.4106 4.3843 4.3859 4.6730 4.6732 4.6880 4.6895 4.9167 4.9169 6.2391 6.2392 k = 0.0488 0.0488-0.0000 ( 9373 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1813 -9.1813 -7.7024 -7.7024 -7.2409 -7.2409 -7.2269 -7.2269 -5.0523 -5.0522 -3.7789 -3.7787 -3.5195 -3.5189 -3.3298 -3.3296 -3.1929 -3.1925 -3.1775 -3.1766 -2.4321 -2.4320 -1.7783 -1.7777 -1.6544 -1.6536 -1.6217 -1.6217 -1.4462 -1.4462 -1.4130 -1.4130 4.3782 4.3795 4.6543 4.6545 4.6648 4.6661 4.8933 4.8934 6.2089 6.2089 k = 0.0366 0.0366-0.0000 ( 9379 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1881 -9.1881 -7.7056 -7.7056 -7.2281 -7.2281 -7.2201 -7.2201 -5.0651 -5.0650 -3.7792 -3.7790 -3.5150 -3.5145 -3.3327 -3.3325 -3.1905 -3.1903 -3.1803 -3.1796 -2.4422 -2.4420 -1.7656 -1.7652 -1.6433 -1.6427 -1.6245 -1.6245 -1.4339 -1.4339 -1.4148 -1.4148 4.3738 4.3749 4.6397 4.6399 4.6462 4.6472 4.8749 4.8750 6.1851 6.1851 k = 0.0244 0.0244-0.0000 ( 9371 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1930 -9.1930 -7.7080 -7.7080 -7.2188 -7.2188 -7.2151 -7.2151 -5.0744 -5.0744 -3.7799 -3.7798 -3.5110 -3.5106 -3.3357 -3.3356 -3.1878 -3.1876 -3.1824 -3.1820 -2.4495 -2.4494 -1.7569 -1.7566 -1.6350 -1.6346 -1.6265 -1.6265 -1.4248 -1.4248 -1.4161 -1.4161 4.3710 4.3718 4.6290 4.6293 4.6328 4.6333 4.8618 4.8619 6.1680 6.1680 k = 0.0122 0.0122-0.0000 ( 9365 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1959 -9.1959 -7.7094 -7.7094 -7.2133 -7.2133 -7.2120 -7.2120 -5.0801 -5.0801 -3.7805 -3.7805 -3.5082 -3.5080 -3.3379 -3.3379 -3.1860 -3.1859 -3.1834 -3.1833 -2.4539 -2.4539 -1.7517 -1.7516 -1.6300 -1.6298 -1.6277 -1.6277 -1.4191 -1.4191 -1.4169 -1.4169 4.3695 4.3699 4.6223 4.6227 4.6249 4.6250 4.8540 4.8540 6.1577 6.1577 k = 0.0000 0.0000 0.0000 ( 9373 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1969 -9.1969 -7.7099 -7.7099 -7.2117 -7.2117 -7.2107 -7.2107 -5.0820 -5.0820 -3.7808 -3.7808 -3.5071 -3.5071 -3.3387 -3.3387 -3.1856 -3.1856 -3.1834 -3.1834 -2.4554 -2.4554 -1.7500 -1.7500 -1.6285 -1.6285 -1.6279 -1.6279 -1.4173 -1.4173 -1.4170 -1.4170 4.3692 4.3692 4.6201 4.6201 4.6224 4.6224 4.8514 4.8514 6.1543 6.1543 k = 0.0000 0.0000 0.0000 ( 9373 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1969 -9.1969 -7.7099 -7.7099 -7.2117 -7.2117 -7.2107 -7.2107 -5.0820 -5.0820 -3.7808 -3.7808 -3.5071 -3.5071 -3.3387 -3.3387 -3.1856 -3.1856 -3.1834 -3.1834 -2.4554 -2.4554 -1.7500 -1.7500 -1.6285 -1.6285 -1.6279 -1.6279 -1.4173 -1.4173 -1.4170 -1.4170 4.3692 4.3692 4.6201 4.6201 4.6224 4.6224 4.8514 4.8514 6.1543 6.1543 k = 0.0000 0.0000 0.0170 ( 9361 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1959 -9.1959 -7.7122 -7.7122 -7.2116 -7.2116 -7.2107 -7.2107 -5.0795 -5.0795 -3.7793 -3.7793 -3.5083 -3.5083 -3.3380 -3.3380 -3.1858 -3.1858 -3.1836 -3.1836 -2.4564 -2.4564 -1.7521 -1.7521 -1.6300 -1.6300 -1.6294 -1.6294 -1.4158 -1.4158 -1.4155 -1.4155 4.3712 4.3712 4.6224 4.6224 4.6247 4.6247 4.8544 4.8544 6.1552 6.1552 k = 0.0000 0.0000 0.0340 ( 9357 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -9.1932 -9.1932 -7.7192 -7.7192 -7.2115 -7.2115 -7.2105 -7.2105 -5.0722 -5.0722 -3.7749 -3.7749 -3.5119 -3.5119 -3.3360 -3.3360 -3.1864 -3.1864 -3.1842 -3.1842 -2.4593 -2.4593 -1.7586 -1.7586 -1.6346 -1.6346 -1.6340 -1.6340 -1.4115 -1.4115 -1.4112 -1.4112 4.3775 4.3775 4.6293 4.6293 4.6316 4.6316 4.8636 4.8636 6.1578 6.1578 k = 0.0000 0.0000 0.0510 ( 9385 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1886 -9.1886 -7.7309 -7.7309 -7.2112 -7.2112 -7.2102 -7.2102 -5.0600 -5.0600 -3.7675 -3.7675 -3.5180 -3.5180 -3.3326 -3.3326 -3.1874 -3.1874 -3.1853 -3.1853 -2.4642 -2.4642 -1.7694 -1.7694 -1.6417 -1.6417 -1.6412 -1.6412 -1.4048 -1.4048 -1.4045 -1.4045 4.3879 4.3879 4.6408 4.6408 4.6431 4.6431 4.8788 4.8788 6.1621 6.1621 k = 0.0000 0.0000 0.0680 ( 9385 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1822 -9.1822 -7.7468 -7.7468 -7.2108 -7.2108 -7.2098 -7.2098 -5.0433 -5.0433 -3.7571 -3.7571 -3.5264 -3.5264 -3.3279 -3.3279 -3.1888 -3.1888 -3.1867 -3.1867 -2.4709 -2.4709 -1.7843 -1.7843 -1.6508 -1.6508 -1.6504 -1.6504 -1.3961 -1.3961 -1.3959 -1.3959 4.4024 4.4024 4.6567 4.6567 4.6590 4.6590 4.9000 4.9000 6.1683 6.1683 k = 0.0000 0.0000 0.0850 ( 9385 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1739 -9.1739 -7.7670 -7.7670 -7.2103 -7.2103 -7.2093 -7.2093 -5.0223 -5.0223 -3.7438 -3.7438 -3.5372 -3.5372 -3.3218 -3.3218 -3.1905 -3.1905 -3.1884 -3.1884 -2.4795 -2.4795 -1.8034 -1.8034 -1.6615 -1.6615 -1.6610 -1.6610 -1.3861 -1.3861 -1.3859 -1.3859 4.4211 4.4211 4.6772 4.6772 4.6794 4.6794 4.9270 4.9270 6.1762 6.1762 k = 0.0000 0.0000 0.1020 ( 9409 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -9.1639 -9.1639 -7.7910 -7.7910 -7.2097 -7.2097 -7.2087 -7.2087 -4.9973 -4.9973 -3.7274 -3.7274 -3.5503 -3.5503 -3.3144 -3.3144 -3.1926 -3.1926 -3.1905 -3.1905 -2.4899 -2.4899 -1.8265 -1.8265 -1.6732 -1.6732 -1.6727 -1.6727 -1.3752 -1.3752 -1.3751 -1.3751 4.4439 4.4439 4.7019 4.7019 4.7041 4.7041 4.9596 4.9596 6.1860 6.1860 k = 0.0000 0.0000 0.1191 ( 9401 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1520 -9.1520 -7.8186 -7.8186 -7.2090 -7.2090 -7.2081 -7.2081 -4.9686 -4.9686 -3.7081 -3.7081 -3.5655 -3.5655 -3.3057 -3.3057 -3.1949 -3.1949 -3.1929 -3.1929 -2.5021 -2.5021 -1.8535 -1.8535 -1.6854 -1.6854 -1.6850 -1.6850 -1.3639 -1.3639 -1.3637 -1.3637 4.4709 4.4709 4.7308 4.7308 4.7331 4.7331 4.9975 4.9975 6.1976 6.1976 k = 0.0000 0.0000 0.1361 ( 9397 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.1383 -9.1383 -7.8493 -7.8493 -7.2082 -7.2082 -7.2073 -7.2073 -4.9367 -4.9367 -3.6858 -3.6858 -3.5830 -3.5830 -3.2958 -3.2958 -3.1976 -3.1976 -3.1957 -3.1957 -2.5159 -2.5159 -1.8842 -1.8842 -1.6980 -1.6980 -1.6976 -1.6976 -1.3523 -1.3523 -1.3522 -1.3522 4.5019 4.5019 4.7638 4.7638 4.7661 4.7661 5.0406 5.0406 6.2110 6.2110 k = 0.0000 0.0000 0.1531 ( 9409 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -9.1229 -9.1229 -7.8830 -7.8830 -7.2073 -7.2073 -7.2065 -7.2065 -4.9020 -4.9020 -3.6606 -3.6606 -3.6025 -3.6025 -3.2845 -3.2845 -3.2005 -3.2005 -3.1986 -3.1986 -2.5313 -2.5313 -1.9185 -1.9185 -1.7106 -1.7106 -1.7103 -1.7103 -1.3408 -1.3408 -1.3407 -1.3407 4.5369 4.5369 4.8007 4.8007 4.8029 4.8029 5.0885 5.0885 6.2262 6.2262 k = 0.0000 0.0000 0.1701 ( 9413 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -9.1057 -9.1057 -7.9191 -7.9191 -7.2064 -7.2064 -7.2056 -7.2056 -4.8647 -4.8647 -3.6323 -3.6323 -3.6240 -3.6240 -3.2720 -3.2720 -3.2036 -3.2036 -3.2018 -3.2018 -2.5482 -2.5482 -1.9561 -1.9561 -1.7230 -1.7230 -1.7227 -1.7227 -1.3295 -1.3295 -1.3295 -1.3295 4.5760 4.5760 4.8412 4.8412 4.8433 4.8433 5.1409 5.1409 6.2428 6.2428 k = 0.0000 0.0000 0.1871 ( 9420 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -9.0867 -9.0867 -7.9575 -7.9575 -7.2055 -7.2055 -7.2047 -7.2047 -4.8254 -4.8254 -3.6475 -3.6475 -3.6011 -3.6011 -3.2583 -3.2583 -3.2069 -3.2069 -3.2052 -3.2052 -2.5665 -2.5665 -1.9970 -1.9970 -1.7351 -1.7351 -1.7348 -1.7348 -1.3186 -1.3186 -1.3186 -1.3186 4.6191 4.6191 4.8850 4.8850 4.8871 4.8871 5.1972 5.1972 6.2608 6.2608 k = 0.0000 0.0000 0.2041 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -9.0660 -9.0660 -7.9976 -7.9976 -7.2045 -7.2045 -7.2037 -7.2037 -4.7844 -4.7844 -3.6727 -3.6727 -3.5670 -3.5670 -3.2434 -3.2434 -3.2102 -3.2102 -3.2086 -3.2086 -2.5861 -2.5861 -2.0408 -2.0408 -1.7468 -1.7468 -1.7465 -1.7465 -1.3082 -1.3082 -1.3082 -1.3082 4.6660 4.6660 4.9319 4.9319 4.9339 4.9339 5.2571 5.2571 6.2797 6.2797 k = 0.0000 0.0000 0.2211 ( 9412 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -9.0436 -9.0436 -8.0394 -8.0394 -7.2035 -7.2035 -7.2028 -7.2028 -4.7420 -4.7420 -3.6997 -3.6997 -3.5301 -3.5301 -3.2274 -3.2274 -3.2137 -3.2137 -3.2122 -3.2122 -2.6070 -2.6070 -2.0874 -2.0874 -1.7579 -1.7579 -1.7576 -1.7576 -1.2984 -1.2984 -1.2983 -1.2983 4.7168 4.7168 4.9813 4.9813 4.9834 4.9834 5.3200 5.3200 6.2988 6.2988 k = 0.0000 0.0000 0.2381 ( 9420 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -9.0196 -9.0196 -8.0823 -8.0823 -7.2025 -7.2025 -7.2018 -7.2018 -4.6985 -4.6985 -3.7283 -3.7283 -3.4903 -3.4903 -3.2172 -3.2172 -3.2157 -3.2157 -3.2103 -3.2103 -2.6289 -2.6289 -2.1366 -2.1366 -1.7683 -1.7683 -1.7681 -1.7681 -1.2892 -1.2892 -1.2891 -1.2891 4.7714 4.7714 5.0330 5.0330 5.0350 5.0350 5.3853 5.3853 6.3173 6.3173 k = 0.0000 0.0000 0.2551 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9939 -8.9939 -8.1263 -8.1263 -7.2015 -7.2015 -7.2009 -7.2009 -4.6543 -4.6543 -3.7585 -3.7585 -3.4479 -3.4479 -3.2206 -3.2206 -3.2192 -3.2192 -3.1921 -3.1921 -2.6518 -2.6518 -2.1881 -2.1881 -1.7781 -1.7781 -1.7779 -1.7779 -1.2806 -1.2806 -1.2806 -1.2806 4.8297 4.8297 5.0863 5.0863 5.0882 5.0882 5.4520 5.4520 6.3339 6.3339 k = 0.0000 0.0000 0.2721 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9666 -8.9666 -8.1709 -8.1709 -7.2005 -7.2005 -7.2000 -7.2000 -4.6095 -4.6095 -3.7901 -3.7901 -3.4028 -3.4028 -3.2239 -3.2239 -3.2227 -3.2227 -3.1728 -3.1728 -2.6756 -2.6756 -2.2418 -2.2418 -1.7871 -1.7871 -1.7869 -1.7869 -1.2728 -1.2728 -1.2728 -1.2728 4.8915 4.8915 5.1406 5.1406 5.1424 5.1424 5.5193 5.5193 6.3469 6.3469 k = 0.0000 0.0000 0.2891 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9377 -8.9377 -8.2161 -8.2161 -7.1996 -7.1996 -7.1991 -7.1991 -4.5644 -4.5644 -3.8230 -3.8230 -3.3553 -3.3553 -3.2271 -3.2271 -3.2260 -3.2260 -3.1526 -3.1526 -2.7001 -2.7001 -2.2973 -2.2973 -1.7953 -1.7953 -1.7951 -1.7951 -1.2657 -1.2657 -1.2657 -1.2657 4.9567 4.9567 5.1951 5.1951 5.1968 5.1968 5.5858 5.5858 6.3546 6.3546 k = 0.0000 0.0000 0.3061 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.9073 -8.9073 -8.2615 -8.2615 -7.1987 -7.1987 -7.1983 -7.1983 -4.5191 -4.5191 -3.8572 -3.8572 -3.3054 -3.3054 -3.2302 -3.2302 -3.2291 -3.2291 -3.1315 -3.1315 -2.7253 -2.7253 -2.3545 -2.3545 -1.8027 -1.8027 -1.8025 -1.8025 -1.2593 -1.2593 -1.2593 -1.2593 5.0251 5.0251 5.2490 5.2490 5.2506 5.2506 5.6498 5.6498 6.3551 6.3551 k = 0.0000 0.0000 0.3231 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.8753 -8.8753 -8.3070 -8.3070 -7.1979 -7.1979 -7.1975 -7.1975 -4.4739 -4.4739 -3.8926 -3.8926 -3.2533 -3.2533 -3.2329 -3.2329 -3.2320 -3.2320 -3.1095 -3.1095 -2.7510 -2.7510 -2.4132 -2.4132 -1.8092 -1.8092 -1.8091 -1.8091 -1.2537 -1.2537 -1.2537 -1.2537 5.0965 5.0965 5.3012 5.3012 5.3026 5.3026 5.7086 5.7086 6.3482 6.3482 k = 0.0000 0.0000 0.3401 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.8420 -8.8420 -8.3524 -8.3524 -7.1972 -7.1972 -7.1968 -7.1968 -4.4289 -4.4289 -3.9291 -3.9291 -3.2354 -3.2354 -3.2347 -3.2347 -3.1992 -3.1992 -3.0867 -3.0867 -2.7771 -2.7771 -2.4731 -2.4731 -1.8149 -1.8149 -1.8148 -1.8148 -1.2489 -1.2489 -1.2489 -1.2489 5.1705 5.1705 5.3505 5.3505 5.3519 5.3519 5.7583 5.7583 6.3361 6.3361 k = 0.0000 0.0000 0.3572 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.8072 -8.8072 -8.3975 -8.3975 -7.1966 -7.1966 -7.1963 -7.1963 -4.3841 -4.3841 -3.9666 -3.9666 -3.2376 -3.2376 -3.2370 -3.2370 -3.1433 -3.1433 -3.0632 -3.0632 -2.8035 -2.8035 -2.5339 -2.5339 -1.8197 -1.8197 -1.8196 -1.8196 -1.2448 -1.2448 -1.2448 -1.2448 5.2469 5.2469 5.3958 5.3958 5.3970 5.3970 5.7931 5.7931 6.3247 6.3247 k = 0.0000 0.0000 0.3742 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.7711 -8.7711 -8.4422 -8.4422 -7.1960 -7.1960 -7.1958 -7.1958 -4.3397 -4.3397 -4.0050 -4.0050 -3.2394 -3.2394 -3.2389 -3.2389 -3.0859 -3.0859 -3.0390 -3.0390 -2.8302 -2.8302 -2.5954 -2.5954 -1.8237 -1.8237 -1.8236 -1.8236 -1.2415 -1.2415 -1.2415 -1.2415 5.3250 5.3250 5.4356 5.4356 5.4365 5.4365 5.8064 5.8064 6.3226 6.3226 k = 0.0000 0.0000 0.3912 ( 9408 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.7337 -8.7337 -8.4864 -8.4864 -7.1956 -7.1956 -7.1954 -7.1954 -4.2957 -4.2957 -4.0443 -4.0443 -3.2409 -3.2409 -3.2405 -3.2405 -3.0270 -3.0270 -3.0141 -3.0141 -2.8569 -2.8569 -2.6575 -2.6575 -1.8268 -1.8268 -1.8267 -1.8267 -1.2389 -1.2389 -1.2389 -1.2389 5.4040 5.4040 5.4685 5.4685 5.4692 5.4692 5.7938 5.7938 6.3365 6.3365 k = 0.0000 0.0000 0.4082 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6950 -8.6950 -8.5299 -8.5299 -7.1953 -7.1953 -7.1951 -7.1951 -4.2523 -4.2523 -4.0845 -4.0845 -3.2419 -3.2419 -3.2416 -3.2416 -2.9888 -2.9888 -2.9669 -2.9669 -2.8837 -2.8837 -2.7198 -2.7198 -1.8290 -1.8290 -1.8289 -1.8289 -1.2370 -1.2370 -1.2370 -1.2370 5.4831 5.4831 5.4932 5.4932 5.4936 5.4936 5.7569 5.7569 6.3675 6.3675 k = 0.0000 0.0000 0.4252 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6553 -8.6553 -8.5726 -8.5726 -7.1951 -7.1951 -7.1950 -7.1950 -4.2093 -4.2093 -4.1254 -4.1254 -3.2425 -3.2425 -3.2423 -3.2423 -2.9630 -2.9630 -2.9103 -2.9103 -2.9060 -2.9060 -2.7822 -2.7822 -1.8303 -1.8303 -1.8302 -1.8302 -1.2359 -1.2359 -1.2359 -1.2359 5.5084 5.5084 5.5087 5.5087 5.5608 5.5608 5.7018 5.7018 6.4119 6.4119 k = 0.0000 0.0000 0.4422 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6145 -8.6145 -8.6144 -8.6144 -7.1950 -7.1950 -7.1949 -7.1949 -4.1671 -4.1671 -4.1670 -4.1670 -3.2427 -3.2427 -3.2426 -3.2426 -2.9368 -2.9368 -2.9367 -2.9367 -2.8443 -2.8443 -2.8443 -2.8443 -1.8307 -1.8307 -1.8307 -1.8307 -1.2356 -1.2356 -1.2356 -1.2356 5.5137 5.5137 5.5137 5.5137 5.6347 5.6347 5.6348 5.6348 6.4649 6.4649 k = 0.0000 0.0000 0.4422 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6145 -8.6145 -8.6144 -8.6144 -7.1950 -7.1950 -7.1949 -7.1949 -4.1671 -4.1671 -4.1670 -4.1670 -3.2427 -3.2427 -3.2426 -3.2426 -2.9368 -2.9368 -2.9367 -2.9367 -2.8443 -2.8443 -2.8443 -2.8443 -1.8307 -1.8307 -1.8307 -1.8307 -1.2356 -1.2356 -1.2356 -1.2356 5.5137 5.5137 5.5137 5.5137 5.6347 5.6347 5.6348 5.6348 6.4649 6.4649 k = 0.0000 0.0172 0.4422 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6137 -8.6137 -8.6136 -8.6136 -7.1962 -7.1962 -7.1962 -7.1962 -4.1670 -4.1670 -4.1669 -4.1669 -3.2462 -3.2461 -3.2461 -3.2461 -2.9323 -2.9323 -2.9321 -2.9321 -2.8445 -2.8445 -2.8445 -2.8444 -1.8313 -1.8313 -1.8312 -1.8312 -1.2361 -1.2361 -1.2361 -1.2361 5.5083 5.5083 5.5088 5.5089 5.6423 5.6423 5.6429 5.6429 6.4676 6.4677 k = 0.0000 0.0345 0.4422 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6112 -8.6112 -8.6111 -8.6111 -7.2000 -7.2000 -7.1998 -7.1998 -4.1669 -4.1668 -4.1666 -4.1666 -3.2559 -3.2559 -3.2559 -3.2558 -2.9196 -2.9195 -2.9194 -2.9193 -2.8448 -2.8448 -2.8447 -2.8447 -1.8330 -1.8330 -1.8329 -1.8329 -1.2376 -1.2376 -1.2376 -1.2376 5.4956 5.4956 5.4965 5.4965 5.6627 5.6627 5.6637 5.6637 6.4759 6.4760 k = 0.0000 0.0517 0.4422 ( 9394 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6071 -8.6071 -8.6071 -8.6070 -7.2061 -7.2061 -7.2060 -7.2060 -4.1665 -4.1665 -4.1661 -4.1661 -3.2703 -3.2702 -3.2702 -3.2701 -2.9018 -2.9017 -2.9015 -2.9015 -2.8439 -2.8438 -2.8437 -2.8436 -1.8358 -1.8358 -1.8357 -1.8357 -1.2401 -1.2401 -1.2400 -1.2400 5.4802 5.4802 5.4813 5.4813 5.6913 5.6913 5.6924 5.6925 6.4895 6.4895 k = 0.0000 0.0690 0.4422 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6014 -8.6014 -8.6013 -8.6013 -7.2147 -7.2147 -7.2145 -7.2145 -4.1660 -4.1660 -4.1655 -4.1655 -3.2873 -3.2873 -3.2872 -3.2872 -2.8853 -2.8853 -2.8851 -2.8851 -2.8371 -2.8371 -2.8367 -2.8367 -1.8398 -1.8397 -1.8396 -1.8396 -1.2435 -1.2435 -1.2434 -1.2434 5.4648 5.4649 5.4660 5.4660 5.7254 5.7254 5.7266 5.7266 6.5079 6.5080 k = 0.0000 0.0862 0.4422 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5941 -8.5941 -8.5940 -8.5940 -7.2256 -7.2256 -7.2254 -7.2254 -4.1653 -4.1653 -4.1647 -4.1647 -3.3056 -3.3056 -3.3054 -3.3054 -2.8787 -2.8786 -2.8785 -2.8784 -2.8177 -2.8177 -2.8172 -2.8172 -1.8447 -1.8447 -1.8445 -1.8445 -1.2478 -1.2478 -1.2477 -1.2477 5.4507 5.4507 5.4518 5.4519 5.7636 5.7636 5.7649 5.7649 6.5307 6.5308 k = 0.0000 0.1034 0.4422 ( 9394 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5852 -8.5852 -8.5851 -8.5851 -7.2389 -7.2389 -7.2386 -7.2386 -4.1645 -4.1645 -4.1638 -4.1638 -3.3239 -3.3239 -3.3237 -3.3237 -2.8803 -2.8803 -2.8802 -2.8801 -2.7884 -2.7884 -2.7878 -2.7877 -1.8507 -1.8507 -1.8505 -1.8504 -1.2528 -1.2528 -1.2527 -1.2527 5.4383 5.4384 5.4395 5.4395 5.8053 5.8053 5.8066 5.8066 6.5572 6.5573 k = 0.0000 0.1207 0.4422 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5747 -8.5747 -8.5746 -8.5746 -7.2544 -7.2544 -7.2541 -7.2541 -4.1636 -4.1636 -4.1628 -4.1627 -3.3415 -3.3415 -3.3413 -3.3413 -2.8859 -2.8859 -2.8858 -2.8857 -2.7545 -2.7544 -2.7538 -2.7538 -1.8576 -1.8576 -1.8573 -1.8573 -1.2585 -1.2585 -1.2583 -1.2583 5.4280 5.4281 5.4292 5.4292 5.8500 5.8500 5.8513 5.8513 6.5865 6.5866 k = 0.0000 0.1379 0.4422 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5627 -8.5626 -8.5625 -8.5625 -7.2720 -7.2720 -7.2717 -7.2717 -4.1626 -4.1626 -4.1616 -4.1616 -3.3579 -3.3579 -3.3576 -3.3576 -2.8936 -2.8936 -2.8935 -2.8935 -2.7184 -2.7184 -2.7177 -2.7177 -1.8654 -1.8654 -1.8651 -1.8651 -1.2647 -1.2647 -1.2645 -1.2645 5.4200 5.4200 5.4211 5.4212 5.8975 5.8975 5.8988 5.8988 6.6176 6.6177 k = 0.0000 0.1552 0.4422 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5491 -8.5491 -8.5489 -8.5489 -7.2918 -7.2918 -7.2914 -7.2914 -4.1614 -4.1614 -4.1604 -4.1603 -3.3726 -3.3726 -3.3723 -3.3723 -2.9028 -2.9028 -2.9027 -2.9027 -2.6814 -2.6814 -2.6807 -2.6806 -1.8740 -1.8740 -1.8736 -1.8736 -1.2713 -1.2713 -1.2711 -1.2711 5.4141 5.4141 5.4153 5.4153 5.9473 5.9474 5.9487 5.9487 6.6493 6.6494 k = 0.0000 0.1724 0.4422 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5340 -8.5340 -8.5338 -8.5338 -7.3135 -7.3135 -7.3132 -7.3132 -4.1602 -4.1601 -4.1590 -4.1590 -3.3855 -3.3855 -3.3852 -3.3852 -2.9132 -2.9132 -2.9131 -2.9131 -2.6442 -2.6442 -2.6434 -2.6434 -1.8832 -1.8832 -1.8828 -1.8828 -1.2782 -1.2782 -1.2780 -1.2780 5.4105 5.4105 5.4116 5.4116 5.9993 5.9993 6.0007 6.0007 6.6802 6.6802 k = 0.0000 0.1897 0.4422 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5174 -8.5174 -8.5172 -8.5172 -7.3372 -7.3372 -7.3368 -7.3368 -4.1588 -4.1588 -4.1576 -4.1576 -3.3964 -3.3964 -3.3961 -3.3961 -2.9247 -2.9247 -2.9246 -2.9245 -2.6073 -2.6072 -2.6065 -2.6065 -1.8929 -1.8929 -1.8925 -1.8925 -1.2853 -1.2853 -1.2850 -1.2850 5.4089 5.4090 5.4101 5.4101 6.0530 6.0530 6.0543 6.0543 6.7088 6.7088 k = 0.0000 0.2069 0.4422 ( 9408 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.4994 -8.4994 -8.4992 -8.4992 -7.3625 -7.3625 -7.3621 -7.3621 -4.1573 -4.1573 -4.1561 -4.1561 -3.4053 -3.4053 -3.4049 -3.4049 -2.9370 -2.9370 -2.9369 -2.9369 -2.5711 -2.5711 -2.5704 -2.5703 -1.9030 -1.9030 -1.9026 -1.9026 -1.2924 -1.2924 -1.2921 -1.2921 5.4094 5.4094 5.4105 5.4105 6.1080 6.1080 6.1093 6.1093 6.7339 6.7339 k = 0.0000 0.2241 0.4422 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4800 -8.4799 -8.4798 -8.4797 -7.3896 -7.3895 -7.3891 -7.3891 -4.1558 -4.1557 -4.1545 -4.1545 -3.4121 -3.4121 -3.4117 -3.4117 -2.9502 -2.9502 -2.9501 -2.9500 -2.5361 -2.5361 -2.5354 -2.5353 -1.9133 -1.9133 -1.9129 -1.9129 -1.2994 -1.2994 -1.2991 -1.2991 5.4117 5.4117 5.4128 5.4128 6.1637 6.1637 6.1650 6.1650 6.7544 6.7544 k = 0.0000 0.2414 0.4422 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4592 -8.4592 -8.4590 -8.4590 -7.4180 -7.4180 -7.4176 -7.4176 -4.1541 -4.1541 -4.1528 -4.1528 -3.4169 -3.4169 -3.4165 -3.4165 -2.9640 -2.9640 -2.9639 -2.9638 -2.5027 -2.5026 -2.5019 -2.5018 -1.9236 -1.9236 -1.9232 -1.9232 -1.3063 -1.3063 -1.3060 -1.3060 5.4156 5.4157 5.4167 5.4167 6.2197 6.2197 6.2210 6.2210 6.7701 6.7701 k = 0.0000 0.2586 0.4422 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4371 -8.4371 -8.4369 -8.4369 -7.4479 -7.4479 -7.4474 -7.4474 -4.1524 -4.1523 -4.1511 -4.1511 -3.4198 -3.4198 -3.4193 -3.4193 -2.9784 -2.9784 -2.9783 -2.9782 -2.4710 -2.4710 -2.4702 -2.4702 -1.9337 -1.9337 -1.9333 -1.9333 -1.3129 -1.3129 -1.3126 -1.3126 5.4209 5.4210 5.4220 5.4220 6.2753 6.2753 6.2766 6.2766 6.7815 6.7815 k = 0.0000 0.2759 0.4422 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4138 -8.4138 -8.4136 -8.4136 -7.4789 -7.4789 -7.4784 -7.4784 -4.1506 -4.1505 -4.1493 -4.1493 -3.4208 -3.4208 -3.4204 -3.4204 -2.9932 -2.9932 -2.9931 -2.9930 -2.4416 -2.4415 -2.4408 -2.4407 -1.9433 -1.9433 -1.9430 -1.9429 -1.3192 -1.3192 -1.3189 -1.3189 5.4274 5.4274 5.4284 5.4285 6.3299 6.3300 6.3312 6.3312 6.7896 6.7896 k = 0.0000 0.2931 0.4422 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3894 -8.3894 -8.3892 -8.3891 -7.5109 -7.5109 -7.5105 -7.5105 -4.1487 -4.1487 -4.1474 -4.1474 -3.4202 -3.4202 -3.4197 -3.4197 -3.0083 -3.0083 -3.0082 -3.0081 -2.4146 -2.4145 -2.4138 -2.4137 -1.9522 -1.9522 -1.9519 -1.9519 -1.3251 -1.3251 -1.3247 -1.3247 5.4346 5.4347 5.4357 5.4357 6.3831 6.3831 6.3843 6.3844 6.7957 6.7957 k = 0.0000 0.3103 0.4422 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3639 -8.3639 -8.3637 -8.3637 -7.5438 -7.5438 -7.5433 -7.5433 -4.1468 -4.1467 -4.1456 -4.1455 -3.4180 -3.4180 -3.4175 -3.4175 -3.0236 -3.0235 -3.0234 -3.0234 -2.3902 -2.3902 -2.3895 -2.3894 -1.9602 -1.9602 -1.9599 -1.9599 -1.3305 -1.3305 -1.3302 -1.3302 5.4425 5.4425 5.4436 5.4436 6.4342 6.4342 6.4354 6.4354 6.8008 6.8008 k = 0.0000 0.3276 0.4422 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3375 -8.3375 -8.3372 -8.3372 -7.5773 -7.5773 -7.5768 -7.5768 -4.1448 -4.1448 -4.1437 -4.1436 -3.4144 -3.4144 -3.4140 -3.4140 -3.0389 -3.0388 -3.0387 -3.0387 -2.3688 -2.3688 -2.3681 -2.3680 -1.9670 -1.9670 -1.9668 -1.9667 -1.3355 -1.3355 -1.3351 -1.3351 5.4506 5.4506 5.4517 5.4517 6.4828 6.4828 6.4840 6.4840 6.8058 6.8058 k = 0.0000 0.3448 0.4422 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3103 -8.3103 -8.3100 -8.3100 -7.6112 -7.6112 -7.6107 -7.6107 -4.1429 -4.1429 -4.1418 -4.1418 -3.4098 -3.4098 -3.4093 -3.4093 -3.0540 -3.0539 -3.0538 -3.0538 -2.3504 -2.3503 -2.3497 -2.3496 -1.9726 -1.9725 -1.9723 -1.9723 -1.3400 -1.3400 -1.3396 -1.3396 5.4587 5.4588 5.4598 5.4598 6.5285 6.5285 6.5297 6.5297 6.8111 6.8111 k = 0.0000 0.3621 0.4422 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2824 -8.2824 -8.2822 -8.2821 -7.6452 -7.6452 -7.6448 -7.6448 -4.1410 -4.1410 -4.1400 -4.1399 -3.4042 -3.4042 -3.4038 -3.4038 -3.0687 -3.0687 -3.0686 -3.0686 -2.3350 -2.3350 -2.3344 -2.3343 -1.9768 -1.9767 -1.9765 -1.9765 -1.3439 -1.3439 -1.3436 -1.3436 5.4666 5.4666 5.4677 5.4677 6.5711 6.5711 6.5723 6.5723 6.8169 6.8170 k = 0.0000 0.3793 0.4422 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2542 -8.2542 -8.2539 -8.2539 -7.6791 -7.6791 -7.6786 -7.6786 -4.1392 -4.1392 -4.1382 -4.1382 -3.3980 -3.3980 -3.3976 -3.3976 -3.0829 -3.0829 -3.0828 -3.0827 -2.3226 -2.3225 -2.3219 -2.3219 -1.9796 -1.9796 -1.9794 -1.9793 -1.3474 -1.3474 -1.3470 -1.3470 5.4740 5.4740 5.4751 5.4751 6.6105 6.6105 6.6117 6.6117 6.8231 6.8231 k = 0.0000 0.3966 0.4422 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2260 -8.2260 -8.2257 -8.2257 -7.7124 -7.7123 -7.7119 -7.7119 -4.1375 -4.1375 -4.1366 -4.1366 -3.3914 -3.3914 -3.3910 -3.3910 -3.0963 -3.0963 -3.0961 -3.0961 -2.3128 -2.3128 -2.3122 -2.3122 -1.9812 -1.9812 -1.9810 -1.9810 -1.3503 -1.3503 -1.3499 -1.3499 5.4807 5.4808 5.4818 5.4818 6.6466 6.6466 6.6478 6.6478 6.8292 6.8292 k = 0.0000 0.4138 0.4422 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.1982 -8.1982 -8.1979 -8.1979 -7.7445 -7.7445 -7.7441 -7.7441 -4.1360 -4.1360 -4.1352 -4.1352 -3.3848 -3.3848 -3.3845 -3.3844 -3.1086 -3.1085 -3.1084 -3.1084 -2.3055 -2.3054 -2.3049 -2.3049 -1.9819 -1.9819 -1.9817 -1.9817 -1.3528 -1.3528 -1.3524 -1.3524 5.4867 5.4867 5.4877 5.4877 6.6790 6.6791 6.6803 6.6803 6.8348 6.8348 k = 0.0000 0.4310 0.4422 ( 9386 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1716 -8.1716 -8.1714 -8.1714 -7.7747 -7.7747 -7.7743 -7.7743 -4.1347 -4.1347 -4.1339 -4.1339 -3.3785 -3.3785 -3.3782 -3.3782 -3.1194 -3.1193 -3.1192 -3.1192 -2.3001 -2.3001 -2.2997 -2.2996 -1.9819 -1.9819 -1.9817 -1.9816 -1.3547 -1.3547 -1.3544 -1.3544 5.4916 5.4916 5.4927 5.4927 6.7076 6.7076 6.7089 6.7089 6.8395 6.8395 k = 0.0000 0.4483 0.4422 ( 9374 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1474 -8.1474 -8.1471 -8.1471 -7.8018 -7.8018 -7.8014 -7.8014 -4.1336 -4.1336 -4.1329 -4.1329 -3.3730 -3.3730 -3.3727 -3.3727 -3.1284 -3.1284 -3.1282 -3.1282 -2.2965 -2.2964 -2.2960 -2.2960 -1.9815 -1.9815 -1.9813 -1.9812 -1.3563 -1.3563 -1.3559 -1.3559 5.4956 5.4956 5.4966 5.4966 6.7316 6.7316 6.7329 6.7329 6.8429 6.8429 k = 0.0000 0.4655 0.4422 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1272 -8.1272 -8.1270 -8.1270 -7.8240 -7.8240 -7.8237 -7.8237 -4.1328 -4.1328 -4.1322 -4.1322 -3.3687 -3.3687 -3.3684 -3.3684 -3.1352 -3.1352 -3.1350 -3.1350 -2.2941 -2.2941 -2.2937 -2.2937 -1.9810 -1.9809 -1.9807 -1.9807 -1.3573 -1.3573 -1.3570 -1.3570 5.4984 5.4984 5.4994 5.4994 6.7502 6.7502 6.7515 6.7515 6.8449 6.8449 k = 0.0000 0.4828 0.4422 ( 9354 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1134 -8.1134 -8.1133 -8.1132 -7.8390 -7.8390 -7.8388 -7.8388 -4.1323 -4.1323 -4.1318 -4.1317 -3.3659 -3.3659 -3.3657 -3.3657 -3.1394 -3.1394 -3.1393 -3.1393 -2.2928 -2.2928 -2.2925 -2.2925 -1.9805 -1.9805 -1.9803 -1.9803 -1.3580 -1.3580 -1.3576 -1.3576 5.5001 5.5002 5.5012 5.5012 6.7622 6.7622 6.7635 6.7635 6.8459 6.8459 k = 0.0000 0.5000 0.4422 ( 9348 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1084 -8.1084 -8.1083 -8.1083 -7.8443 -7.8443 -7.8442 -7.8442 -4.1321 -4.1321 -4.1316 -4.1316 -3.3650 -3.3650 -3.3647 -3.3647 -3.1409 -3.1409 -3.1407 -3.1407 -2.2924 -2.2924 -2.2921 -2.2921 -1.9804 -1.9804 -1.9802 -1.9802 -1.3582 -1.3582 -1.3578 -1.3578 5.5007 5.5007 5.5017 5.5017 6.7663 6.7663 6.7677 6.7677 6.8461 6.8461 k = 0.0000 0.5000 0.4422 ( 9348 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1084 -8.1084 -8.1083 -8.1083 -7.8443 -7.8443 -7.8442 -7.8442 -4.1321 -4.1321 -4.1316 -4.1316 -3.3650 -3.3650 -3.3647 -3.3647 -3.1409 -3.1409 -3.1407 -3.1407 -2.2924 -2.2924 -2.2921 -2.2921 -1.9804 -1.9804 -1.9802 -1.9802 -1.3582 -1.3582 -1.3578 -1.3578 5.5007 5.5007 5.5017 5.5017 6.7663 6.7663 6.7677 6.7677 6.8461 6.8461 k = 0.0172 0.5000 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1185 -8.1184 -8.0974 -8.0974 -7.8449 -7.8448 -7.8431 -7.8430 -4.1737 -4.1731 -4.0957 -4.0951 -3.3811 -3.3809 -3.3730 -3.3728 -3.1453 -3.1450 -3.1133 -3.1132 -2.3125 -2.3121 -2.2683 -2.2680 -1.9976 -1.9974 -1.9613 -1.9611 -1.3603 -1.3599 -1.3551 -1.3548 5.4993 5.5002 5.5023 5.5034 6.7282 6.7288 6.7711 6.7731 6.8420 6.8437 k = 0.0345 0.5000 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1278 -8.1277 -8.0857 -8.0856 -7.8448 -7.8447 -7.8413 -7.8412 -4.2196 -4.2191 -4.0648 -4.0643 -3.4127 -3.4125 -3.4041 -3.4039 -3.1274 -3.1271 -3.0716 -3.0716 -2.3285 -2.3279 -2.2405 -2.2404 -2.0129 -2.0128 -1.9402 -1.9400 -1.3615 -1.3611 -1.3512 -1.3508 5.4976 5.4985 5.5043 5.5055 6.6747 6.6752 6.7585 6.7608 6.8525 6.8543 k = 0.0517 0.5000 0.4422 ( 9364 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1362 -8.1362 -8.0731 -8.0730 -7.8441 -7.8439 -7.8388 -7.8387 -4.2692 -4.2687 -4.0400 -4.0394 -3.4524 -3.4522 -3.4487 -3.4485 -3.0964 -3.0959 -3.0234 -3.0234 -2.3402 -2.3396 -2.2097 -2.2096 -2.0263 -2.0262 -1.9172 -1.9169 -1.3617 -1.3613 -1.3464 -1.3461 5.4953 5.4961 5.5070 5.5082 6.6180 6.6183 6.7413 6.7437 6.8651 6.8667 k = 0.0690 0.5000 0.4422 ( 9360 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1439 -8.1438 -8.0597 -8.0597 -7.8428 -7.8426 -7.8357 -7.8356 -4.3219 -4.3215 -4.0216 -4.0210 -3.4997 -3.4996 -3.4962 -3.4961 -3.0588 -3.0583 -2.9726 -2.9725 -2.3480 -2.3473 -2.1767 -2.1767 -2.0373 -2.0372 -1.8921 -1.8918 -1.3609 -1.3604 -1.3408 -1.3405 5.4918 5.4926 5.5105 5.5117 6.5609 6.5612 6.7221 6.7247 6.8757 6.8771 k = 0.0862 0.5000 0.4422 ( 9344 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1507 -8.1507 -8.0456 -8.0455 -7.8408 -7.8407 -7.8321 -7.8320 -4.3771 -4.3767 -4.0095 -4.0089 -3.5538 -3.5536 -3.5426 -3.5425 -3.0178 -3.0172 -2.9210 -2.9209 -2.3521 -2.3513 -2.1435 -2.1434 -2.0447 -2.0446 -1.8649 -1.8646 -1.3590 -1.3585 -1.3344 -1.3341 5.4866 5.4874 5.5148 5.5161 6.5045 6.5048 6.7019 6.7044 6.8820 6.8832 k = 0.1034 0.5000 0.4422 ( 9364 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1568 -8.1568 -8.0307 -8.0307 -7.8383 -7.8381 -7.8278 -7.8277 -4.4342 -4.4337 -4.0036 -4.0030 -3.6091 -3.6089 -3.5904 -3.5903 -2.9748 -2.9741 -2.8697 -2.8696 -2.3530 -2.3521 -2.1152 -2.1148 -2.0443 -2.0440 -1.8358 -1.8355 -1.3561 -1.3556 -1.3273 -1.3271 5.4792 5.4799 5.5201 5.5215 6.4494 6.4497 6.6806 6.6832 6.8826 6.8836 k = 0.1207 0.5000 0.4422 ( 9360 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1622 -8.1621 -8.0151 -8.0151 -7.8353 -7.8351 -7.8230 -7.8230 -4.4926 -4.4921 -4.0036 -4.0030 -3.6648 -3.6646 -3.6389 -3.6389 -2.9305 -2.9298 -2.8192 -2.8191 -2.3512 -2.3502 -2.1011 -2.1007 -2.0267 -2.0264 -1.8048 -1.8045 -1.3520 -1.3515 -1.3195 -1.3193 5.4691 5.4697 5.5263 5.5277 6.3958 6.3960 6.6585 6.6611 6.8781 6.8789 k = 0.1379 0.5000 0.4422 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1668 -8.1668 -7.9989 -7.9989 -7.8317 -7.8315 -7.8178 -7.8177 -4.5518 -4.5514 -4.0090 -4.0084 -3.7203 -3.7200 -3.6878 -3.6878 -2.8855 -2.8847 -2.7699 -2.7698 -2.3472 -2.3462 -2.1005 -2.1001 -1.9936 -1.9933 -1.7721 -1.7719 -1.3468 -1.3463 -1.3111 -1.3109 5.4557 5.4563 5.5334 5.5349 6.3437 6.3439 6.6354 6.6380 6.8711 6.8717 k = 0.1552 0.5000 0.4422 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1708 -8.1707 -7.9822 -7.9822 -7.8277 -7.8275 -7.8121 -7.8120 -4.6114 -4.6110 -4.0191 -4.0185 -3.7750 -3.7746 -3.7367 -3.7367 -2.8401 -2.8393 -2.7223 -2.7221 -2.3416 -2.3405 -2.1047 -2.1044 -1.9541 -1.9539 -1.7379 -1.7377 -1.3405 -1.3399 -1.3021 -1.3019 5.4390 5.4395 5.5412 5.5428 6.2931 6.2934 6.6113 6.6140 6.8650 6.8656 k = 0.1724 0.5000 0.4422 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1741 -8.1740 -7.9649 -7.9649 -7.8232 -7.8230 -7.8059 -7.8059 -4.6710 -4.6706 -4.0333 -4.0326 -3.8287 -3.8282 -3.7851 -3.7851 -2.7947 -2.7938 -2.6764 -2.6762 -2.3347 -2.3336 -2.1102 -2.1099 -1.9124 -1.9123 -1.7025 -1.7023 -1.3330 -1.3325 -1.2926 -1.2924 5.4187 5.4192 5.5499 5.5515 6.2441 6.2443 6.5863 6.5890 6.8627 6.8632 k = 0.1897 0.5000 0.4422 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1768 -8.1768 -7.9472 -7.9472 -7.8184 -7.8182 -7.7995 -7.7994 -4.7302 -4.7298 -4.0509 -4.0501 -3.8809 -3.8804 -3.8329 -3.8328 -2.7497 -2.7488 -2.6325 -2.6323 -2.3271 -2.3260 -2.1159 -2.1157 -1.8700 -1.8699 -1.6662 -1.6660 -1.3245 -1.3239 -1.2826 -1.2824 5.3952 5.3955 5.5591 5.5608 6.1964 6.1966 6.5604 6.5630 6.8660 6.8664 k = 0.2069 0.5000 0.4422 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1790 -8.1789 -7.9292 -7.9292 -7.8133 -7.8130 -7.7928 -7.7927 -4.7886 -4.7882 -4.0712 -4.0704 -3.9315 -3.9308 -3.8796 -3.8796 -2.7055 -2.7045 -2.5907 -2.5905 -2.3191 -2.3178 -2.1214 -2.1213 -1.8278 -1.8278 -1.6293 -1.6291 -1.3148 -1.3143 -1.2722 -1.2720 5.3687 5.3690 5.5688 5.5706 6.1500 6.1502 6.5338 6.5363 6.8760 6.8764 k = 0.2241 0.5000 0.4422 ( 9368 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1806 -8.1806 -7.9110 -7.9109 -7.8079 -7.8076 -7.7858 -7.7858 -4.8459 -4.8456 -4.0938 -4.0929 -3.9800 -3.9792 -3.9251 -3.9250 -2.6624 -2.6613 -2.5512 -2.5510 -2.3108 -2.3095 -2.1268 -2.1266 -1.7864 -1.7863 -1.5922 -1.5920 -1.3042 -1.3036 -1.2615 -1.2613 5.3397 5.3399 5.5790 5.5807 6.1049 6.1051 6.5064 6.5089 6.8928 6.8932 k = 0.2414 0.5000 0.4422 ( 9364 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1819 -8.1818 -7.8927 -7.8926 -7.8023 -7.8020 -7.7787 -7.7787 -4.9018 -4.9015 -4.1183 -4.1172 -4.0260 -4.0251 -3.9691 -3.9690 -2.6207 -2.6196 -2.5140 -2.5138 -2.3024 -2.3011 -2.1318 -2.1317 -1.7460 -1.7460 -1.5552 -1.5551 -1.2927 -1.2921 -1.2505 -1.2504 5.3088 5.3091 5.5893 5.5911 6.0612 6.0614 6.4786 6.4810 6.9162 6.9165 k = 0.2586 0.5000 0.4422 ( 9364 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1827 -8.1826 -7.8745 -7.8743 -7.7965 -7.7962 -7.7716 -7.7715 -4.9560 -4.9557 -4.1443 -4.1431 -4.0690 -4.0679 -4.0114 -4.0113 -2.5808 -2.5796 -2.4792 -2.4789 -2.2942 -2.2928 -2.1367 -2.1366 -1.7072 -1.7072 -1.5188 -1.5186 -1.2803 -1.2797 -1.2395 -1.2393 5.2768 5.2770 5.5998 5.6016 6.0190 6.0192 6.4506 6.4528 6.9454 6.9456 k = 0.2759 0.5000 0.4422 ( 9360 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1831 -8.1831 -7.8564 -7.8563 -7.7907 -7.7903 -7.7644 -7.7644 -5.0081 -5.0078 -4.1719 -4.1706 -4.1084 -4.1072 -4.0517 -4.0516 -2.5429 -2.5417 -2.4467 -2.4465 -2.2862 -2.2848 -2.1413 -2.1412 -1.6702 -1.6702 -1.4831 -1.4829 -1.2673 -1.2667 -1.2284 -1.2282 5.2443 5.2444 5.6103 5.6121 5.9784 5.9786 6.4226 6.4247 6.9790 6.9792 k = 0.2931 0.5000 0.4422 ( 9364 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1833 -8.1833 -7.8388 -7.8386 -7.7848 -7.7844 -7.7574 -7.7573 -5.0579 -5.0577 -4.2009 -4.1996 -4.1436 -4.1424 -4.0899 -4.0898 -2.5073 -2.5060 -2.4167 -2.4164 -2.2785 -2.2770 -2.1457 -2.1457 -1.6353 -1.6353 -1.4486 -1.4485 -1.2537 -1.2532 -1.2174 -1.2172 5.2118 5.2119 5.6206 5.6224 5.9398 5.9400 6.3950 6.3970 7.0154 7.0155 k = 0.3103 0.5000 0.4422 ( 9360 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1832 -8.1832 -7.8218 -7.8214 -7.7790 -7.7784 -7.7505 -7.7504 -5.1051 -5.1049 -4.2309 -4.2297 -4.1745 -4.1733 -4.1257 -4.1257 -2.4742 -2.4729 -2.3889 -2.3886 -2.2710 -2.2695 -2.1500 -2.1500 -1.6027 -1.6027 -1.4156 -1.4155 -1.2399 -1.2394 -1.2066 -1.2064 5.1800 5.1801 5.6307 5.6325 5.9033 5.9035 6.3681 6.3699 7.0206 7.0220 k = 0.3276 0.5000 0.4422 ( 9356 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1829 -8.1829 -7.8057 -7.8052 -7.7730 -7.7724 -7.7438 -7.7438 -5.1494 -5.1492 -4.2611 -4.2599 -4.2015 -4.2005 -4.1591 -4.1591 -2.4439 -2.4425 -2.3635 -2.3632 -2.2639 -2.2623 -2.1543 -2.1542 -1.5726 -1.5726 -1.3844 -1.3843 -1.2260 -1.2255 -1.1962 -1.1960 5.1495 5.1495 5.6404 5.6422 5.8692 5.8693 6.3422 6.3439 6.9837 6.9851 k = 0.3448 0.5000 0.4422 ( 9364 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1825 -8.1825 -7.7909 -7.7903 -7.7668 -7.7661 -7.7375 -7.7375 -5.1905 -5.1903 -4.2902 -4.2893 -4.2253 -4.2244 -4.1898 -4.1898 -2.4164 -2.4150 -2.3403 -2.3400 -2.2570 -2.2554 -2.1585 -2.1585 -1.5451 -1.5451 -1.3552 -1.3551 -1.2122 -1.2118 -1.1862 -1.1861 5.1206 5.1206 5.6497 5.6514 5.8376 5.8378 6.3177 6.3192 6.9500 6.9514 k = 0.3621 0.5000 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1820 -8.1820 -7.7783 -7.7775 -7.7599 -7.7589 -7.7316 -7.7316 -5.2282 -5.2280 -4.3176 -4.3168 -4.2463 -4.2456 -4.2177 -4.2177 -2.3920 -2.3906 -2.3192 -2.3188 -2.2505 -2.2489 -2.1629 -2.1628 -1.5203 -1.5203 -1.3283 -1.3282 -1.1989 -1.1986 -1.1770 -1.1768 5.0937 5.0938 5.6583 5.6599 5.8088 5.8090 6.2948 6.2962 6.9196 6.9209 k = 0.3793 0.5000 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1814 -8.1814 -7.7686 -7.7678 -7.7513 -7.7504 -7.7262 -7.7262 -5.2622 -5.2620 -4.3425 -4.3419 -4.2648 -4.2643 -4.2427 -4.2426 -2.3707 -2.3693 -2.3001 -2.2997 -2.2442 -2.2427 -2.1673 -2.1672 -1.4984 -1.4984 -1.3040 -1.3038 -1.1864 -1.1861 -1.1685 -1.1684 5.0693 5.0693 5.6663 5.6678 5.7830 5.7831 6.2739 6.2751 6.8925 6.8937 k = 0.3966 0.5000 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1808 -8.1808 -7.7619 -7.7613 -7.7415 -7.7408 -7.7214 -7.7214 -5.2922 -5.2921 -4.3647 -4.3642 -4.2810 -4.2806 -4.2646 -4.2645 -2.3526 -2.3512 -2.2828 -2.2825 -2.2384 -2.2369 -2.1719 -2.1718 -1.4794 -1.4794 -1.2823 -1.2822 -1.1749 -1.1746 -1.1609 -1.1608 5.0476 5.0476 5.6736 5.6749 5.7603 5.7604 6.2553 6.2563 6.8688 6.8699 k = 0.4138 0.5000 0.4422 ( 9368 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1802 -8.1802 -7.7570 -7.7566 -7.7319 -7.7314 -7.7172 -7.7171 -5.3181 -5.3179 -4.3838 -4.3834 -4.2948 -4.2944 -4.2832 -4.2832 -2.3375 -2.3363 -2.2674 -2.2671 -2.2329 -2.2315 -2.1768 -2.1766 -1.4632 -1.4632 -1.2635 -1.2634 -1.1646 -1.1643 -1.1544 -1.1543 5.0288 5.0289 5.6799 5.6811 5.7408 5.7409 6.2390 6.2399 6.8485 6.8495 k = 0.4310 0.5000 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1797 -8.1797 -7.7534 -7.7531 -7.7234 -7.7230 -7.7136 -7.7136 -5.3395 -5.3394 -4.3997 -4.3994 -4.3062 -4.3059 -4.2987 -4.2986 -2.3255 -2.3244 -2.2536 -2.2533 -2.2280 -2.2268 -2.1820 -2.1818 -1.4500 -1.4500 -1.2479 -1.2478 -1.1558 -1.1556 -1.1490 -1.1489 5.0132 5.0132 5.6852 5.6862 5.7248 5.7249 6.2255 6.2262 6.8318 6.8326 k = 0.4483 0.5000 0.4422 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1793 -8.1793 -7.7506 -7.7504 -7.7165 -7.7162 -7.7108 -7.7108 -5.3564 -5.3563 -4.4121 -4.4119 -4.3151 -4.3149 -4.3107 -4.3107 -2.3164 -2.3156 -2.2414 -2.2411 -2.2238 -2.2229 -2.1876 -2.1874 -1.4397 -1.4397 -1.2355 -1.2354 -1.1488 -1.1486 -1.1448 -1.1447 5.0009 5.0009 5.6894 5.6902 5.7122 5.7124 6.2148 6.2154 6.8187 6.8193 k = 0.4655 0.5000 0.4422 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1790 -8.1790 -7.7487 -7.7486 -7.7114 -7.7113 -7.7087 -7.7087 -5.3685 -5.3685 -4.4211 -4.4209 -4.3216 -4.3214 -4.3193 -4.3192 -2.3101 -2.3095 -2.2307 -2.2305 -2.2205 -2.2199 -2.1936 -2.1933 -1.4324 -1.4324 -1.2265 -1.2264 -1.1436 -1.1435 -1.1418 -1.1417 4.9920 4.9920 5.6922 5.6928 5.7035 5.7036 6.2071 6.2075 6.8093 6.8097 k = 0.4828 0.5000 0.4422 ( 9368 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1788 -8.1788 -7.7475 -7.7475 -7.7085 -7.7084 -7.7073 -7.7073 -5.3759 -5.3758 -4.4265 -4.4264 -4.3257 -4.3256 -4.3242 -4.3242 -2.3063 -2.3059 -2.2221 -2.2220 -2.2183 -2.2181 -2.1994 -2.1992 -1.4280 -1.4280 -1.2210 -1.2209 -1.1405 -1.1405 -1.1399 -1.1399 4.9867 4.9867 5.6933 5.6936 5.6990 5.6991 6.2025 6.2027 6.8037 6.8039 k = 0.5000 0.5000 0.4422 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1787 -8.1787 -7.7471 -7.7471 -7.7076 -7.7076 -7.7067 -7.7067 -5.3783 -5.3783 -4.4282 -4.4282 -4.3271 -4.3271 -4.3257 -4.3257 -2.3049 -2.3049 -2.2184 -2.2184 -2.2169 -2.2169 -2.2026 -2.2026 -1.4265 -1.4265 -1.2191 -1.2191 -1.1396 -1.1396 -1.1392 -1.1392 4.9849 4.9849 5.6931 5.6931 5.6982 5.6982 6.2010 6.2010 6.8019 6.8019 k = 0.5000 0.5000 0.4422 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1787 -8.1787 -7.7471 -7.7471 -7.7076 -7.7076 -7.7067 -7.7067 -5.3783 -5.3783 -4.4282 -4.4282 -4.3271 -4.3271 -4.3257 -4.3257 -2.3049 -2.3049 -2.2184 -2.2184 -2.2169 -2.2169 -2.2026 -2.2026 -1.4265 -1.4265 -1.2191 -1.2191 -1.1396 -1.1396 -1.1392 -1.1392 4.9849 4.9849 5.6931 5.6931 5.6982 5.6982 6.2010 6.2010 6.8019 6.8019 k = 0.4878 0.4878 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1788 -8.1788 -7.7475 -7.7475 -7.7093 -7.7092 -7.7065 -7.7065 -5.3759 -5.3758 -4.4265 -4.4264 -4.3259 -4.3258 -4.3240 -4.3240 -2.3063 -2.3059 -2.2224 -2.2219 -2.2180 -2.2180 -2.1995 -2.1993 -1.4280 -1.4280 -1.2210 -1.2209 -1.1410 -1.1410 -1.1394 -1.1394 4.9867 4.9867 5.6933 5.6936 5.6990 5.6990 6.2025 6.2027 6.8037 6.8039 k = 0.4756 0.4756 0.4422 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1790 -8.1790 -7.7487 -7.7486 -7.7154 -7.7153 -7.7047 -7.7047 -5.3686 -5.3685 -4.4211 -4.4209 -4.3231 -4.3230 -4.3178 -4.3177 -2.3101 -2.3095 -2.2314 -2.2306 -2.2194 -2.2194 -2.1939 -2.1938 -1.4324 -1.4324 -1.2264 -1.2264 -1.1457 -1.1456 -1.1396 -1.1396 4.9920 4.9920 5.6924 5.6929 5.7034 5.7034 6.2071 6.2075 6.8088 6.8092 k = 0.4634 0.4634 0.4422 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1795 -8.1795 -7.7506 -7.7504 -7.7255 -7.7252 -7.7016 -7.7016 -5.3566 -5.3565 -4.4120 -4.4118 -4.3187 -4.3187 -4.3072 -4.3070 -2.3166 -2.3158 -2.2421 -2.2411 -2.2217 -2.2216 -2.1887 -2.1887 -1.4399 -1.4399 -1.2353 -1.2352 -1.1534 -1.1533 -1.1400 -1.1400 5.0009 5.0009 5.6896 5.6904 5.7119 5.7120 6.2149 6.2154 6.8160 6.8166 k = 0.4512 0.4512 0.4422 ( 9378 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1803 -8.1803 -7.7538 -7.7533 -7.7386 -7.7380 -7.6972 -7.6972 -5.3401 -5.3400 -4.3993 -4.3990 -4.3126 -4.3126 -4.2924 -4.2922 -2.3262 -2.3251 -2.2537 -2.2526 -2.2248 -2.2247 -2.1844 -2.1842 -1.4504 -1.4504 -1.2474 -1.2473 -1.1639 -1.1638 -1.1405 -1.1405 5.0133 5.0133 5.6853 5.6863 5.7242 5.7243 6.2256 6.2263 6.8234 6.8242 k = 0.4390 0.4390 0.4422 ( 9382 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1816 -8.1816 -7.7627 -7.7619 -7.7497 -7.7488 -7.6916 -7.6916 -5.3195 -5.3194 -4.3828 -4.3825 -4.3048 -4.3048 -4.2738 -4.2734 -2.3390 -2.3378 -2.2658 -2.2646 -2.2288 -2.2288 -2.1809 -2.1806 -1.4642 -1.4642 -1.2623 -1.2622 -1.1769 -1.1767 -1.1413 -1.1413 5.0290 5.0290 5.6795 5.6808 5.7400 5.7401 6.2393 6.2402 6.8286 6.8296 k = 0.4268 0.4268 0.4422 ( 9374 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1837 -8.1837 -7.7814 -7.7810 -7.7534 -7.7530 -7.6849 -7.6849 -5.2952 -5.2951 -4.3627 -4.3623 -4.2954 -4.2953 -4.2514 -4.2510 -2.3555 -2.3542 -2.2781 -2.2769 -2.2338 -2.2337 -2.1781 -2.1778 -1.4814 -1.4814 -1.2796 -1.2795 -1.1919 -1.1918 -1.1423 -1.1423 5.0479 5.0479 5.6723 5.6737 5.7593 5.7593 6.2557 6.2568 6.8297 6.8308 k = 0.4146 0.4146 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1866 -8.1866 -7.8047 -7.8045 -7.7551 -7.7548 -7.6769 -7.6769 -5.2676 -5.2675 -4.3389 -4.3385 -4.2842 -4.2841 -4.2256 -4.2252 -2.3758 -2.3745 -2.2906 -2.2895 -2.2398 -2.2397 -2.1760 -2.1756 -1.5022 -1.5021 -1.2989 -1.2988 -1.2087 -1.2085 -1.1436 -1.1435 5.0699 5.0699 5.6634 5.6650 5.7819 5.7819 6.2748 6.2760 6.8255 6.8267 k = 0.4024 0.4024 0.4422 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1907 -8.1907 -7.8311 -7.8309 -7.7555 -7.7553 -7.6678 -7.6678 -5.2372 -5.2370 -4.3114 -4.3109 -4.2713 -4.2713 -4.1967 -4.1963 -2.3997 -2.3986 -2.3034 -2.3025 -2.2467 -2.2466 -2.1744 -2.1739 -1.5266 -1.5265 -1.3197 -1.3196 -1.2266 -1.2264 -1.1451 -1.1451 5.0948 5.0948 5.6528 5.6546 5.8077 5.8078 6.2962 6.2976 6.8162 6.8173 k = 0.3902 0.3902 0.4422 ( 9364 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1962 -8.1962 -7.8598 -7.8597 -7.7546 -7.7544 -7.6576 -7.6576 -5.2043 -5.2041 -4.2803 -4.2798 -4.2568 -4.2567 -4.1650 -4.1645 -2.4273 -2.4263 -2.3166 -2.3158 -2.2547 -2.2546 -2.1731 -2.1726 -1.5549 -1.5548 -1.3415 -1.3414 -1.2454 -1.2451 -1.1469 -1.1469 5.1223 5.1224 5.6405 5.6424 5.8368 5.8368 6.3198 6.3213 6.8023 6.8034 k = 0.3780 0.3780 0.4422 ( 9360 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2032 -8.2031 -7.8903 -7.8903 -7.7520 -7.7519 -7.6463 -7.6463 -5.1695 -5.1692 -4.2458 -4.2452 -4.2406 -4.2405 -4.1307 -4.1302 -2.4583 -2.4575 -2.3305 -2.3299 -2.2638 -2.2636 -2.1722 -2.1716 -1.5870 -1.5869 -1.3639 -1.3638 -1.2644 -1.2642 -1.1490 -1.1490 5.1524 5.1524 5.6264 5.6283 5.8689 5.8689 6.3451 6.3468 6.7849 6.7860 k = 0.3659 0.3659 0.4422 ( 9356 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5162 -41.5161 -41.5161 -8.2118 -8.2118 -7.9225 -7.9224 -7.7476 -7.7475 -7.6340 -7.6340 -5.1330 -5.1328 -4.2228 -4.2228 -4.2077 -4.2072 -4.0944 -4.0939 -2.4925 -2.4918 -2.3451 -2.3446 -2.2740 -2.2738 -2.1713 -2.1707 -1.6229 -1.6227 -1.3866 -1.3865 -1.2833 -1.2831 -1.1513 -1.1513 5.1846 5.1847 5.6104 5.6125 5.9039 5.9040 6.3718 6.3736 6.7649 6.7660 k = 0.3537 0.3537 0.4422 ( 9360 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2222 -8.2222 -7.9558 -7.9558 -7.7411 -7.7410 -7.6206 -7.6206 -5.0954 -5.0951 -4.2034 -4.2034 -4.1669 -4.1663 -4.0564 -4.0558 -2.5296 -2.5290 -2.3606 -2.3602 -2.2854 -2.2852 -2.1704 -2.1698 -1.6622 -1.6620 -1.4095 -1.4094 -1.3016 -1.3014 -1.1539 -1.1539 5.2188 5.2189 5.5928 5.5949 5.9417 5.9418 6.3991 6.4011 6.7434 6.7445 k = 0.3415 0.3415 0.4422 ( 9356 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2342 -8.2342 -7.9900 -7.9900 -7.7324 -7.7323 -7.6063 -7.6063 -5.0568 -5.0566 -4.1824 -4.1824 -4.1233 -4.1227 -4.0169 -4.0163 -2.5692 -2.5687 -2.3770 -2.3767 -2.2980 -2.2978 -2.1692 -2.1686 -1.7047 -1.7044 -1.4323 -1.4323 -1.3191 -1.3188 -1.1567 -1.1567 5.2546 5.2547 5.5737 5.5759 5.9820 5.9821 6.4261 6.4284 6.7213 6.7222 k = 0.3293 0.3293 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2479 -8.2479 -8.0247 -8.0247 -7.7214 -7.7213 -7.5912 -7.5912 -5.0176 -5.0173 -4.1598 -4.1598 -4.0777 -4.0770 -3.9764 -3.9757 -2.6110 -2.6106 -2.3944 -2.3942 -2.3120 -2.3117 -2.1677 -2.1671 -1.7500 -1.7496 -1.4551 -1.4550 -1.3353 -1.3350 -1.1598 -1.1598 5.2914 5.2916 5.5535 5.5558 6.0246 6.0247 6.4515 6.4540 6.6998 6.7005 k = 0.3171 0.3171 0.4422 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2631 -8.2631 -8.0598 -8.0598 -7.7083 -7.7082 -7.5752 -7.5752 -4.9779 -4.9776 -4.1358 -4.1357 -4.0306 -4.0299 -3.9349 -3.9342 -2.6545 -2.6541 -2.4126 -2.4125 -2.3273 -2.3270 -2.1657 -2.1652 -1.7976 -1.7972 -1.4777 -1.4777 -1.3500 -1.3498 -1.1630 -1.1630 5.3285 5.3288 5.5330 5.5353 6.0690 6.0690 6.4728 6.4755 6.6809 6.6814 k = 0.3049 0.3049 0.4422 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2795 -8.2795 -8.0950 -8.0949 -7.6931 -7.6930 -7.5584 -7.5584 -4.9379 -4.9376 -4.1102 -4.1101 -3.9833 -3.9826 -3.8926 -3.8919 -2.6990 -2.6987 -2.4317 -2.4316 -2.3441 -2.3438 -2.1631 -2.1625 -1.8471 -1.8467 -1.5002 -1.5002 -1.3630 -1.3628 -1.1665 -1.1664 5.3645 5.3649 5.5137 5.5160 6.1144 6.1145 6.4864 6.4895 6.6676 6.6677 k = 0.2927 0.2927 0.4422 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2971 -8.2970 -8.1300 -8.1299 -7.6758 -7.6758 -7.5410 -7.5410 -4.8978 -4.8975 -4.0831 -4.0831 -3.9372 -3.9364 -3.8491 -3.8483 -2.7439 -2.7436 -2.4517 -2.4516 -2.3624 -2.3621 -2.1595 -2.1590 -1.8981 -1.8977 -1.5225 -1.5225 -1.3741 -1.3739 -1.1700 -1.1700 5.3954 5.3957 5.4995 5.5016 6.1595 6.1596 6.4885 6.4917 6.6604 6.6606 k = 0.2805 0.2805 0.4422 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3154 -8.3154 -8.1646 -8.1646 -7.6568 -7.6567 -7.5230 -7.5230 -4.8576 -4.8573 -4.0547 -4.0546 -3.8942 -3.8935 -3.8037 -3.8030 -2.7883 -2.7880 -2.4724 -2.4723 -2.3823 -2.3820 -2.1550 -2.1545 -1.9502 -1.9498 -1.5445 -1.5445 -1.3833 -1.3831 -1.1737 -1.1737 5.4111 5.4113 5.5007 5.5023 6.2011 6.2012 6.4777 6.4809 6.5898 6.5901 k = 0.2683 0.2683 0.4422 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3344 -8.3344 -8.1987 -8.1987 -7.6360 -7.6360 -7.5044 -7.5044 -4.8174 -4.8171 -4.0248 -4.0247 -3.8563 -3.8557 -3.7559 -3.7553 -2.8311 -2.8309 -2.4938 -2.4938 -2.4039 -2.4035 -2.1494 -2.1489 -2.0029 -2.0024 -1.5662 -1.5662 -1.3904 -1.3902 -1.1775 -1.1775 5.4052 5.4061 5.5233 5.5241 6.2324 6.2324 6.4570 6.4599 6.5346 6.5348 k = 0.2561 0.2561 0.4422 ( 9394 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3538 -8.3538 -8.2322 -8.2321 -7.6138 -7.6138 -7.4854 -7.4854 -4.7772 -4.7770 -3.9936 -3.9935 -3.8251 -3.8246 -3.7058 -3.7054 -2.8714 -2.8712 -2.5158 -2.5158 -2.4272 -2.4268 -2.1424 -2.1420 -2.0559 -2.0554 -1.5875 -1.5875 -1.3954 -1.3952 -1.1814 -1.1814 5.3887 5.3900 5.5563 5.5566 6.2401 6.2402 6.4297 6.4325 6.5080 6.5083 k = 0.2439 0.2439 0.4422 ( 9408 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.3735 -8.3734 -8.2648 -8.2647 -7.5904 -7.5903 -7.4661 -7.4661 -4.7372 -4.7369 -3.9611 -3.9610 -3.8013 -3.8009 -3.6544 -3.6541 -2.9079 -2.9077 -2.5384 -2.5383 -2.4522 -2.4517 -2.1341 -2.1337 -2.1087 -2.1082 -1.6084 -1.6084 -1.3982 -1.3981 -1.1853 -1.1853 5.3695 5.3709 5.5919 5.5920 6.2156 6.2156 6.3984 6.4011 6.5191 6.5194 k = 0.2317 0.2317 0.4422 ( 9412 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.3931 -8.3931 -8.2964 -8.2963 -7.5658 -7.5658 -7.4465 -7.4465 -4.6974 -4.6971 -3.9274 -3.9273 -3.7855 -3.7852 -3.6027 -3.6025 -2.9394 -2.9392 -2.5613 -2.5612 -2.4789 -2.4785 -2.1612 -2.1606 -2.1242 -2.1238 -1.6286 -1.6286 -1.3990 -1.3988 -1.1892 -1.1892 5.3503 5.3517 5.6270 5.6270 6.1685 6.1685 6.3647 6.3671 6.5582 6.5584 k = 0.2195 0.2195 0.4422 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4126 -8.4125 -8.3269 -8.3269 -7.5403 -7.5403 -7.4269 -7.4269 -4.6577 -4.6574 -3.8925 -3.8924 -3.7781 -3.7778 -3.5519 -3.5517 -2.9649 -2.9647 -2.5845 -2.5843 -2.5073 -2.5068 -2.2130 -2.2124 -2.1126 -2.1123 -1.6482 -1.6482 -1.3976 -1.3975 -1.1931 -1.1931 5.3324 5.3338 5.6601 5.6603 6.1121 6.1122 6.3292 6.3315 6.6121 6.6123 k = 0.2073 0.2073 0.4422 ( 9408 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4317 -8.4317 -8.3563 -8.3563 -7.5142 -7.5141 -7.4072 -7.4072 -4.6184 -4.6181 -3.8564 -3.8564 -3.7792 -3.7790 -3.5030 -3.5029 -2.9836 -2.9833 -2.6078 -2.6076 -2.5373 -2.5368 -2.2639 -2.2633 -2.0994 -2.0992 -1.6671 -1.6671 -1.3942 -1.3941 -1.1970 -1.1970 5.3164 5.3178 5.6903 5.6906 6.0533 6.0534 6.2923 6.2945 6.6495 6.6505 k = 0.1951 0.1951 0.4422 ( 9408 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.4504 -8.4504 -8.3844 -8.3844 -7.4875 -7.4875 -7.3876 -7.3876 -4.5794 -4.5791 -3.8193 -3.8193 -3.7885 -3.7884 -3.4568 -3.4568 -2.9952 -2.9949 -2.6310 -2.6308 -2.5686 -2.5681 -2.3139 -2.3133 -2.0846 -2.0844 -1.6852 -1.6852 -1.3889 -1.3888 -1.2008 -1.2008 5.3029 5.3043 5.7165 5.7170 5.9951 5.9951 6.2543 6.2564 6.6302 6.6315 k = 0.1829 0.1829 0.4422 ( 9398 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4685 -8.4685 -8.4112 -8.4111 -7.4607 -7.4607 -7.3683 -7.3683 -4.5409 -4.5406 -3.8054 -3.8052 -3.7812 -3.7811 -3.4143 -3.4143 -2.9998 -2.9995 -2.6540 -2.6538 -2.6009 -2.6005 -2.3628 -2.3622 -2.0681 -2.0679 -1.7024 -1.7024 -1.3818 -1.3817 -1.2045 -1.2045 5.2923 5.2936 5.7382 5.7387 5.9388 5.9389 6.2152 6.2171 6.6103 6.6118 k = 0.1707 0.1707 0.4422 ( 9402 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4859 -8.4859 -8.4365 -8.4364 -7.4338 -7.4338 -7.3494 -7.3494 -4.5029 -4.5027 -3.8286 -3.8285 -3.7422 -3.7421 -3.3760 -3.3760 -2.9981 -2.9978 -2.6766 -2.6764 -2.6340 -2.6336 -2.4106 -2.4101 -2.0501 -2.0500 -1.7186 -1.7186 -1.3729 -1.3729 -1.2081 -1.2080 5.2848 5.2862 5.7546 5.7552 5.8852 5.8853 6.1749 6.1767 6.5913 6.5929 k = 0.1585 0.1585 0.4422 ( 9416 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.5025 -8.5025 -8.4603 -8.4602 -7.4071 -7.4071 -7.3310 -7.3310 -4.4657 -4.4655 -3.8568 -3.8567 -3.7024 -3.7023 -3.3426 -3.3426 -2.9911 -2.9908 -2.6985 -2.6983 -2.6674 -2.6670 -2.4576 -2.4570 -2.0308 -2.0307 -1.7339 -1.7339 -1.3627 -1.3627 -1.2115 -1.2115 5.2808 5.2822 5.7654 5.7660 5.8348 5.8349 6.1335 6.1351 6.5739 6.5755 k = 0.1463 0.1463 0.4422 ( 9408 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.5182 -8.5182 -8.4826 -8.4825 -7.3809 -7.3809 -7.3132 -7.3131 -4.4294 -4.4292 -3.8884 -3.8883 -3.6619 -3.6618 -3.3142 -3.3142 -2.9799 -2.9796 -2.7196 -2.7193 -2.7007 -2.7003 -2.5037 -2.5031 -2.0105 -2.0104 -1.7481 -1.7481 -1.3512 -1.3512 -1.2148 -1.2148 5.2806 5.2818 5.7704 5.7711 5.7878 5.7878 6.0909 6.0924 6.5585 6.5600 k = 0.1341 0.1341 0.4422 ( 9412 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.5330 -8.5329 -8.5032 -8.5032 -7.3554 -7.3554 -7.2961 -7.2961 -4.3943 -4.3940 -3.9222 -3.9221 -3.6207 -3.6206 -3.2911 -3.2911 -2.9658 -2.9655 -2.7395 -2.7392 -2.7333 -2.7329 -2.5491 -2.5485 -1.9894 -1.9894 -1.7612 -1.7612 -1.3388 -1.3388 -1.2179 -1.2179 5.2841 5.2854 5.7442 5.7443 5.7699 5.7706 6.0475 6.0488 6.5449 6.5462 k = 0.1220 0.1220 0.4422 ( 9410 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.5466 -8.5466 -8.5222 -8.5222 -7.3309 -7.3309 -7.2800 -7.2800 -4.3604 -4.3602 -3.9567 -3.9566 -3.5791 -3.5790 -3.2728 -3.2728 -2.9498 -2.9495 -2.7647 -2.7644 -2.7580 -2.7577 -2.5938 -2.5933 -1.9680 -1.9679 -1.7732 -1.7732 -1.3257 -1.3257 -1.2208 -1.2208 5.2915 5.2928 5.7044 5.7044 5.7642 5.7649 6.0036 6.0048 6.5327 6.5339 k = 0.1098 0.1098 0.4422 ( 9412 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.5592 -8.5591 -8.5395 -8.5395 -7.3076 -7.3076 -7.2649 -7.2649 -4.3282 -4.3280 -3.9909 -3.9908 -3.5372 -3.5370 -3.2592 -3.2592 -2.9331 -2.9328 -2.7946 -2.7943 -2.7749 -2.7746 -2.6380 -2.6376 -1.9466 -1.9466 -1.7841 -1.7841 -1.3123 -1.3123 -1.2235 -1.2235 5.3029 5.3042 5.6682 5.6682 5.7541 5.7547 5.9596 5.9608 6.5215 6.5226 k = 0.0976 0.0976 0.4422 ( 9394 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5705 -8.5705 -8.5551 -8.5550 -7.2858 -7.2858 -7.2511 -7.2511 -4.2978 -4.2976 -4.0238 -4.0238 -3.4951 -3.4950 -3.2497 -3.2496 -2.9165 -2.9162 -2.8225 -2.8222 -2.7901 -2.7898 -2.6817 -2.6812 -1.9257 -1.9257 -1.7939 -1.7939 -1.2990 -1.2990 -1.2259 -1.2259 5.3183 5.3195 5.6358 5.6359 5.7402 5.7408 5.9161 5.9172 6.5112 6.5121 k = 0.0854 0.0854 0.4422 ( 9398 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5807 -8.5807 -8.5689 -8.5688 -7.2659 -7.2658 -7.2385 -7.2385 -4.2698 -4.2696 -4.0547 -4.0546 -3.4533 -3.4532 -3.2436 -3.2435 -2.9007 -2.9005 -2.8479 -2.8477 -2.8034 -2.8031 -2.7246 -2.7242 -1.9059 -1.9059 -1.8025 -1.8025 -1.2861 -1.2861 -1.2281 -1.2281 5.3374 5.3386 5.6072 5.6072 5.7237 5.7242 5.8732 5.8744 6.5016 6.5023 k = 0.0732 0.0732 0.4422 ( 9394 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5895 -8.5895 -8.5809 -8.5809 -7.2479 -7.2479 -7.2273 -7.2273 -4.2443 -4.2441 -4.0828 -4.0827 -3.4120 -3.4119 -3.2403 -3.2402 -2.8864 -2.8862 -2.8707 -2.8705 -2.8147 -2.8144 -2.7666 -2.7662 -1.8876 -1.8875 -1.8100 -1.8100 -1.2740 -1.2740 -1.2301 -1.2300 5.3601 5.3613 5.5824 5.5824 5.7057 5.7061 5.8313 5.8324 6.4928 6.4933 k = 0.0610 0.0610 0.4422 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.5971 -8.5971 -8.5911 -8.5911 -7.2323 -7.2322 -7.2176 -7.2176 -4.2218 -4.2217 -4.1075 -4.1075 -3.3719 -3.3717 -3.2391 -3.2390 -2.8904 -2.8902 -2.8739 -2.8737 -2.8241 -2.8238 -2.8072 -2.8069 -1.8712 -1.8711 -1.8163 -1.8163 -1.2631 -1.2630 -1.2317 -1.2317 5.3860 5.3872 5.5614 5.5614 5.6875 5.6878 5.7904 5.7915 6.4848 6.4852 k = 0.0488 0.0488 0.4422 ( 9398 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6033 -8.6033 -8.5995 -8.5995 -7.2191 -7.2191 -7.2096 -7.2096 -4.2028 -4.2026 -4.1284 -4.1284 -3.3338 -3.3336 -3.2393 -3.2392 -2.9069 -2.9067 -2.8634 -2.8633 -2.8456 -2.8453 -2.8316 -2.8314 -1.8571 -1.8571 -1.8215 -1.8215 -1.2536 -1.2536 -1.2331 -1.2331 5.4146 5.4158 5.5442 5.5443 5.6704 5.6706 5.7505 5.7516 6.4780 6.4782 k = 0.0366 0.0366 0.4422 ( 9398 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6082 -8.6082 -8.6060 -8.6060 -7.2087 -7.2087 -7.2033 -7.2033 -4.1874 -4.1874 -4.1451 -4.1451 -3.2990 -3.2989 -3.2403 -3.2402 -2.9199 -2.9198 -2.8804 -2.8802 -2.8551 -2.8550 -2.8372 -2.8371 -1.8458 -1.8458 -1.8255 -1.8255 -1.2459 -1.2459 -1.2342 -1.2342 5.4450 5.4461 5.5309 5.5309 5.6556 5.6558 5.7120 5.7130 6.4724 6.4726 k = 0.0244 0.0244 0.4422 ( 9386 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6117 -8.6117 -8.6107 -8.6107 -7.2011 -7.2011 -7.1987 -7.1987 -4.1762 -4.1762 -4.1572 -4.1572 -3.2700 -3.2699 -3.2414 -3.2414 -2.9293 -2.9292 -2.9095 -2.9094 -2.8491 -2.8491 -2.8412 -2.8411 -1.8375 -1.8375 -1.8284 -1.8284 -1.2402 -1.2402 -1.2349 -1.2349 5.4755 5.4765 5.5214 5.5214 5.6443 5.6444 5.6762 5.6772 6.4683 6.4684 k = 0.0122 0.0122 0.4422 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6138 -8.6138 -8.6135 -8.6135 -7.1965 -7.1965 -7.1959 -7.1959 -4.1694 -4.1693 -4.1646 -4.1646 -3.2500 -3.2499 -3.2423 -3.2423 -2.9349 -2.9349 -2.9295 -2.9294 -2.8455 -2.8455 -2.8435 -2.8435 -1.8324 -1.8324 -1.8301 -1.8301 -1.2367 -1.2367 -1.2354 -1.2354 5.5017 5.5024 5.5156 5.5156 5.6372 5.6372 5.6471 5.6478 6.4658 6.4658 k = 0.0000 0.0000 0.4422 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.6145 -8.6145 -8.6144 -8.6144 -7.1950 -7.1950 -7.1949 -7.1949 -4.1671 -4.1671 -4.1670 -4.1670 -3.2427 -3.2427 -3.2426 -3.2426 -2.9368 -2.9368 -2.9367 -2.9367 -2.8443 -2.8443 -2.8443 -2.8443 -1.8307 -1.8307 -1.8307 -1.8307 -1.2356 -1.2356 -1.2356 -1.2356 5.5137 5.5137 5.5137 5.5137 5.6347 5.6347 5.6348 5.6348 6.4649 6.4649 k = 0.0000 0.5000-0.0000 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4292 -8.4292 -8.4291 -8.4291 -7.4139 -7.4139 -7.4139 -7.4139 -4.2849 -4.2849 -4.2843 -4.2843 -3.5112 -3.5112 -3.5102 -3.5102 -2.6788 -2.6788 -2.6786 -2.6786 -2.2922 -2.2922 -2.2911 -2.2911 -2.0792 -2.0792 -2.0791 -2.0791 -1.6224 -1.6224 -1.6223 -1.6223 5.2811 5.2811 5.2821 5.2821 5.7823 5.7823 5.7834 5.7834 7.5201 7.5201 k = 0.0000 0.5000 0.0170 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4285 -8.4285 -8.4284 -8.4284 -7.4151 -7.4151 -7.4150 -7.4150 -4.2845 -4.2843 -4.2839 -4.2838 -3.5110 -3.5109 -3.5100 -3.5099 -2.6801 -2.6800 -2.6799 -2.6799 -2.2918 -2.2917 -2.2908 -2.2907 -2.0798 -2.0797 -2.0797 -2.0796 -1.6210 -1.6209 -1.6208 -1.6208 5.2821 5.2821 5.2831 5.2831 5.7841 5.7842 5.7852 5.7853 7.5161 7.5163 k = 0.0000 0.5000 0.0340 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4264 -8.4264 -8.4264 -8.4263 -7.4184 -7.4184 -7.4183 -7.4183 -4.2831 -4.2828 -4.2825 -4.2824 -3.5102 -3.5101 -3.5093 -3.5091 -2.6841 -2.6840 -2.6839 -2.6838 -2.2906 -2.2903 -2.2896 -2.2894 -2.0815 -2.0815 -2.0814 -2.0813 -1.6166 -1.6166 -1.6165 -1.6164 5.2849 5.2849 5.2859 5.2860 5.7894 5.7896 5.7905 5.7907 7.5045 7.5049 k = 0.0000 0.5000 0.0510 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4230 -8.4229 -8.4229 -8.4229 -7.4239 -7.4239 -7.4238 -7.4238 -4.2809 -4.2804 -4.2802 -4.2800 -3.5088 -3.5088 -3.5080 -3.5077 -2.6907 -2.6905 -2.6905 -2.6904 -2.2885 -2.2881 -2.2875 -2.2873 -2.0842 -2.0842 -2.0840 -2.0840 -1.6096 -1.6095 -1.6095 -1.6093 5.2895 5.2896 5.2905 5.2907 5.7984 5.7987 5.7995 5.7997 7.4860 7.4868 k = 0.0000 0.5000 0.0680 ( 9382 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4182 -8.4181 -8.4181 -8.4180 -7.4316 -7.4316 -7.4315 -7.4314 -4.2777 -4.2770 -4.2770 -4.2767 -3.5070 -3.5069 -3.5062 -3.5059 -2.7000 -2.6998 -2.6998 -2.6996 -2.2856 -2.2851 -2.2846 -2.2843 -2.0876 -2.0876 -2.0873 -2.0873 -1.6002 -1.6001 -1.6000 -1.5998 5.2959 5.2960 5.2968 5.2970 5.8111 5.8114 5.8121 5.8124 7.4610 7.4616 k = 0.0000 0.5000 0.0850 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4120 -8.4119 -8.4119 -8.4119 -7.4414 -7.4413 -7.4412 -7.4411 -4.2736 -4.2729 -4.2728 -4.2726 -3.5046 -3.5045 -3.5038 -3.5034 -2.7118 -2.7116 -2.7116 -2.7115 -2.2819 -2.2813 -2.2810 -2.2806 -2.0914 -2.0913 -2.0910 -2.0909 -1.5887 -1.5886 -1.5885 -1.5883 5.3038 5.3039 5.3046 5.3050 5.8275 5.8279 5.8284 5.8288 7.4310 7.4316 k = 0.0000 0.5000 0.1020 ( 9370 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.4045 -8.4044 -8.4044 -8.4043 -7.4531 -7.4531 -7.4529 -7.4528 -4.2687 -4.2679 -4.2677 -4.2676 -3.5016 -3.5016 -3.5009 -3.5005 -2.7262 -2.7260 -2.7259 -2.7258 -2.2776 -2.2769 -2.2767 -2.2762 -2.0951 -2.0950 -2.0947 -2.0946 -1.5755 -1.5755 -1.5754 -1.5752 5.3132 5.3132 5.3139 5.3143 5.8476 5.8481 5.8485 5.8491 7.3969 7.3976 k = 0.0000 0.5000 0.1191 ( 9386 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3957 -8.3956 -8.3956 -8.3955 -7.4668 -7.4667 -7.4666 -7.4665 -4.2630 -4.2622 -4.2619 -4.2618 -3.4981 -3.4980 -3.4975 -3.4970 -2.7430 -2.7428 -2.7427 -2.7426 -2.2728 -2.2721 -2.2720 -2.2715 -2.0983 -2.0982 -2.0979 -2.0978 -1.5611 -1.5611 -1.5609 -1.5607 5.3237 5.3237 5.3243 5.3248 5.8717 5.8722 5.8725 5.8732 7.3597 7.3604 k = 0.0000 0.5000 0.1361 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3856 -8.3855 -8.3854 -8.3854 -7.4823 -7.4822 -7.4820 -7.4819 -4.2565 -4.2557 -4.2553 -4.2553 -3.4941 -3.4940 -3.4935 -3.4929 -2.7620 -2.7618 -2.7616 -2.7616 -2.2679 -2.2673 -2.2672 -2.2667 -2.1007 -2.1005 -2.1002 -2.1000 -1.5458 -1.5457 -1.5456 -1.5454 5.3352 5.3352 5.3358 5.3363 5.8997 5.9003 5.9004 5.9012 7.3203 7.3210 k = 0.0000 0.5000 0.1531 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3742 -8.3741 -8.3740 -8.3740 -7.4995 -7.4994 -7.4992 -7.4991 -4.2494 -4.2485 -4.2481 -4.2481 -3.4895 -3.4893 -3.4889 -3.4883 -2.7830 -2.7828 -2.7826 -2.7825 -2.2634 -2.2629 -2.2626 -2.2622 -2.1017 -2.1014 -2.1012 -2.1009 -1.5299 -1.5299 -1.5297 -1.5295 5.3474 5.3475 5.3479 5.3485 5.9316 5.9322 5.9323 5.9331 7.2794 7.2801 k = 0.0000 0.5000 0.1701 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3616 -8.3615 -8.3614 -8.3614 -7.5182 -7.5181 -7.5179 -7.5178 -4.2416 -4.2408 -4.2403 -4.2402 -3.4843 -3.4841 -3.4838 -3.4832 -2.8057 -2.8056 -2.8053 -2.8052 -2.2596 -2.2592 -2.2589 -2.2586 -2.1008 -2.1006 -2.1004 -2.1001 -1.5138 -1.5137 -1.5135 -1.5133 5.3602 5.3602 5.3606 5.3613 5.9676 5.9681 5.9683 5.9690 7.2379 7.2385 k = 0.0000 0.5000 0.1871 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3479 -8.3478 -8.3477 -8.3476 -7.5384 -7.5383 -7.5380 -7.5379 -4.2333 -4.2325 -4.2320 -4.2319 -3.4785 -3.4783 -3.4781 -3.4774 -2.8299 -2.8297 -2.8294 -2.8294 -2.2570 -2.2568 -2.2563 -2.2561 -2.0979 -2.0976 -2.0976 -2.0972 -1.4977 -1.4976 -1.4974 -1.4972 5.3733 5.3733 5.3736 5.3743 6.0075 6.0078 6.0082 6.0089 7.1963 7.1969 k = 0.0000 0.5000 0.2041 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3330 -8.3329 -8.3328 -8.3327 -7.5598 -7.5597 -7.5594 -7.5593 -4.2246 -4.2238 -4.2233 -4.2232 -3.4722 -3.4720 -3.4718 -3.4711 -2.8552 -2.8550 -2.8547 -2.8546 -2.2558 -2.2557 -2.2553 -2.2550 -2.0928 -2.0925 -2.0925 -2.0920 -1.4818 -1.4817 -1.4815 -1.4813 5.3865 5.3865 5.3867 5.3875 6.0512 6.0515 6.0520 6.0527 7.1552 7.1557 k = 0.0000 0.5000 0.2211 ( 9386 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3171 -8.3170 -8.3169 -8.3168 -7.5824 -7.5822 -7.5820 -7.5819 -4.2156 -4.2149 -4.2144 -4.2141 -3.4653 -3.4651 -3.4650 -3.4643 -2.8813 -2.8812 -2.8808 -2.8808 -2.2561 -2.2561 -2.2556 -2.2554 -2.0855 -2.0854 -2.0852 -2.0849 -1.4664 -1.4663 -1.4660 -1.4659 5.3996 5.3997 5.3997 5.4006 6.0988 6.0990 6.0996 6.1002 7.1151 7.1155 k = 0.0000 0.5000 0.2381 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.3002 -8.3001 -8.2999 -8.2999 -7.6059 -7.6057 -7.6054 -7.6054 -4.2065 -4.2057 -4.2052 -4.2049 -3.4578 -3.4576 -3.4576 -3.4569 -2.9080 -2.9079 -2.9075 -2.9075 -2.2578 -2.2577 -2.2574 -2.2572 -2.0766 -2.0765 -2.0763 -2.0759 -1.4516 -1.4515 -1.4512 -1.4511 5.4124 5.4125 5.4125 5.4134 6.1500 6.1500 6.1508 6.1514 7.0763 7.0766 k = 0.0000 0.5000 0.2551 ( 9390 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2824 -8.2823 -8.2822 -8.2821 -7.6301 -7.6300 -7.6297 -7.6296 -4.1972 -4.1964 -4.1960 -4.1957 -3.4499 -3.4497 -3.4496 -3.4490 -2.9349 -2.9348 -2.9344 -2.9344 -2.2605 -2.2604 -2.2601 -2.2599 -2.0663 -2.0663 -2.0660 -2.0657 -1.4375 -1.4375 -1.4372 -1.4371 5.4248 5.4248 5.4250 5.4259 6.2045 6.2046 6.2054 6.2059 7.0392 7.0395 k = 0.0000 0.5000 0.2721 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2639 -8.2638 -8.2636 -8.2636 -7.6549 -7.6547 -7.6545 -7.6544 -4.1880 -4.1873 -4.1869 -4.1865 -3.4414 -3.4413 -3.4412 -3.4406 -2.9618 -2.9616 -2.9613 -2.9612 -2.2640 -2.2638 -2.2637 -2.2634 -2.0552 -2.0552 -2.0549 -2.0547 -1.4244 -1.4243 -1.4240 -1.4239 5.4367 5.4367 5.4370 5.4377 6.2621 6.2623 6.2631 6.2635 7.0042 7.0044 k = 0.0000 0.5000 0.2891 ( 9404 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.2447 -8.2446 -8.2444 -8.2444 -7.6800 -7.6798 -7.6796 -7.6795 -4.1790 -4.1783 -4.1780 -4.1776 -3.4325 -3.4324 -3.4322 -3.4317 -2.9882 -2.9881 -2.9877 -2.9877 -2.2680 -2.2677 -2.2677 -2.2674 -2.0438 -2.0437 -2.0435 -2.0433 -1.4123 -1.4122 -1.4119 -1.4118 5.4478 5.4479 5.4482 5.4489 6.3223 6.3226 6.3234 6.3239 6.9717 6.9718 k = 0.0000 0.5000 0.3061 ( 9400 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.2251 -8.2250 -8.2248 -8.2248 -7.7051 -7.7050 -7.7047 -7.7046 -4.1704 -4.1697 -4.1695 -4.1690 -3.4232 -3.4231 -3.4229 -3.4225 -3.0140 -3.0139 -3.0135 -3.0134 -2.2721 -2.2718 -2.2718 -2.2716 -2.0325 -2.0323 -2.0322 -2.0320 -1.4012 -1.4012 -1.4008 -1.4008 5.4581 5.4583 5.4586 5.4593 6.3848 6.3852 6.3860 6.3864 6.9418 6.9418 k = 0.0000 0.5000 0.3231 ( 9406 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.2053 -8.2052 -8.2050 -8.2050 -7.7300 -7.7298 -7.7296 -7.7295 -4.1624 -4.1617 -4.1615 -4.1610 -3.4136 -3.4136 -3.4133 -3.4130 -3.0387 -3.0386 -3.0382 -3.0382 -2.2762 -2.2760 -2.2759 -2.2757 -2.0216 -2.0214 -2.0213 -2.0211 -1.3913 -1.3913 -1.3910 -1.3909 5.4676 5.4677 5.4682 5.4688 6.4487 6.4493 6.4500 6.4503 6.9149 6.9149 k = 0.0000 0.5000 0.3401 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1856 -8.1855 -8.1853 -8.1853 -7.7542 -7.7540 -7.7538 -7.7537 -4.1550 -4.1543 -4.1542 -4.1537 -3.4039 -3.4039 -3.4036 -3.4034 -3.0619 -3.0619 -3.0616 -3.0614 -2.2801 -2.2799 -2.2798 -2.2796 -2.0116 -2.0113 -2.0112 -2.0111 -1.3826 -1.3826 -1.3823 -1.3822 5.4760 5.4762 5.4767 5.4772 6.5132 6.5139 6.5145 6.5149 6.8913 6.8914 k = 0.0000 0.5000 0.3572 ( 9382 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1665 -8.1664 -8.1662 -8.1662 -7.7772 -7.7771 -7.7769 -7.7768 -4.1484 -4.1478 -4.1477 -4.1472 -3.3944 -3.3944 -3.3941 -3.3939 -3.0833 -3.0833 -3.0830 -3.0829 -2.2836 -2.2835 -2.2833 -2.2832 -2.0026 -2.0023 -2.0023 -2.0021 -1.3752 -1.3752 -1.3749 -1.3748 5.4833 5.4835 5.4841 5.4846 6.5769 6.5776 6.5781 6.5785 6.8715 6.8716 k = 0.0000 0.5000 0.3742 ( 9394 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1486 -8.1485 -8.1483 -8.1483 -7.7984 -7.7983 -7.7981 -7.7980 -4.1428 -4.1422 -4.1422 -4.1417 -3.3853 -3.3853 -3.3850 -3.3849 -3.1023 -3.1023 -3.1021 -3.1019 -2.2867 -2.2866 -2.2864 -2.2862 -1.9949 -1.9946 -1.9946 -1.9945 -1.3691 -1.3691 -1.3688 -1.3687 5.4895 5.4896 5.4903 5.4907 6.6375 6.6383 6.6387 6.6391 6.8559 6.8560 k = 0.0000 0.5000 0.3912 ( 9402 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.1326 -8.1325 -8.1324 -8.1324 -7.8169 -7.8168 -7.8166 -7.8165 -4.1383 -4.1379 -4.1377 -4.1373 -3.3773 -3.3772 -3.3770 -3.3769 -3.1183 -3.1183 -3.1181 -3.1179 -2.2892 -2.2891 -2.2888 -2.2887 -1.9887 -1.9885 -1.9884 -1.9883 -1.3644 -1.3644 -1.3640 -1.3640 5.4943 5.4944 5.4952 5.4955 6.6916 6.6925 6.6927 6.6931 6.8454 6.8454 k = 0.0000 0.5000 0.4082 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1198 -8.1197 -8.1197 -8.1196 -7.8316 -7.8314 -7.8313 -7.8312 -4.1349 -4.1347 -4.1344 -4.1341 -3.3707 -3.3707 -3.3705 -3.3704 -3.1305 -3.1304 -3.1304 -3.1302 -2.2910 -2.2909 -2.2906 -2.2906 -1.9841 -1.9840 -1.9839 -1.9838 -1.3609 -1.3609 -1.3606 -1.3605 5.4978 5.4979 5.4988 5.4990 6.7339 6.7347 6.7350 6.7354 6.8414 6.8414 k = 0.0000 0.5000 0.4252 ( 9360 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1114 -8.1113 -8.1113 -8.1112 -7.8411 -7.8409 -7.8409 -7.8408 -4.1329 -4.1327 -4.1323 -4.1322 -3.3665 -3.3665 -3.3662 -3.3662 -3.1383 -3.1382 -3.1381 -3.1380 -2.2921 -2.2920 -2.2917 -2.2917 -1.9813 -1.9813 -1.9811 -1.9811 -1.3589 -1.3589 -1.3585 -1.3585 5.5000 5.5000 5.5010 5.5011 6.7588 6.7592 6.7601 6.7602 6.8436 6.8436 k = 0.0000 0.5000 0.4422 ( 9348 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1084 -8.1084 -8.1083 -8.1083 -7.8443 -7.8443 -7.8442 -7.8442 -4.1321 -4.1321 -4.1316 -4.1316 -3.3650 -3.3650 -3.3647 -3.3647 -3.1409 -3.1409 -3.1407 -3.1407 -2.2924 -2.2924 -2.2921 -2.2921 -1.9804 -1.9804 -1.9802 -1.9802 -1.3582 -1.3582 -1.3578 -1.3578 5.5007 5.5007 5.5017 5.5017 6.7663 6.7663 6.7677 6.7677 6.8461 6.8461 k = 0.5000 0.5000-0.0000 ( 9388 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0483 -8.0483 -8.0482 -8.0482 -7.7521 -7.7521 -7.7521 -7.7521 -4.4936 -4.4936 -4.4936 -4.4936 -3.9019 -3.9019 -3.9019 -3.9019 -2.7519 -2.7519 -2.7519 -2.7519 -2.6722 -2.6722 -2.6722 -2.6722 -1.3297 -1.3297 -1.3296 -1.3296 -1.2321 -1.2321 -1.2321 -1.2321 6.0891 6.0891 6.0892 6.0892 6.4541 6.4541 6.4541 6.4541 6.8922 6.8922 k = 0.5000 0.5000 0.0170 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0598 -8.0598 -8.0362 -8.0362 -7.7520 -7.7520 -7.7519 -7.7519 -4.5301 -4.5301 -4.4604 -4.4604 -3.9040 -3.9040 -3.9039 -3.9039 -2.7615 -2.7615 -2.7384 -2.7384 -2.6700 -2.6700 -2.6699 -2.6699 -1.3359 -1.3359 -1.3234 -1.3234 -1.2318 -1.2318 -1.2318 -1.2318 6.0657 6.0657 6.1083 6.1083 6.4502 6.4502 6.4508 6.4508 6.8493 6.8493 k = 0.5000 0.5000 0.0340 ( 9368 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0707 -8.0707 -8.0236 -8.0236 -7.7515 -7.7515 -7.7514 -7.7514 -4.5694 -4.5694 -4.4307 -4.4307 -3.9103 -3.9103 -3.9101 -3.9101 -2.7669 -2.7669 -2.7214 -2.7214 -2.6632 -2.6632 -2.6631 -2.6631 -1.3420 -1.3420 -1.3171 -1.3171 -1.2310 -1.2310 -1.2310 -1.2310 6.0371 6.0371 6.1241 6.1241 6.4392 6.4392 6.4404 6.4404 6.8098 6.8098 k = 0.5000 0.5000 0.0510 ( 9380 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0810 -8.0810 -8.0106 -8.0106 -7.7508 -7.7508 -7.7506 -7.7506 -4.6112 -4.6112 -4.4049 -4.4049 -3.9206 -3.9206 -3.9203 -3.9203 -2.7679 -2.7679 -2.7013 -2.7013 -2.6523 -2.6523 -2.6521 -2.6521 -1.3481 -1.3481 -1.3108 -1.3108 -1.2297 -1.2297 -1.2297 -1.2297 6.0026 6.0026 6.1374 6.1374 6.4215 6.4215 6.4232 6.4232 6.7758 6.7758 k = 0.5000 0.5000 0.0680 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0907 -8.0907 -7.9970 -7.9970 -7.7497 -7.7497 -7.7495 -7.7495 -4.6550 -4.6550 -4.3832 -4.3832 -3.9344 -3.9344 -3.9340 -3.9340 -2.7643 -2.7643 -2.6784 -2.6784 -2.6375 -2.6375 -2.6372 -2.6372 -1.3540 -1.3540 -1.3046 -1.3046 -1.2279 -1.2279 -1.2279 -1.2279 5.9618 5.9618 6.1488 6.1488 6.3975 6.3975 6.3997 6.3997 6.7486 6.7486 k = 0.5000 0.5000 0.0850 ( 9372 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.0998 -8.0998 -7.9830 -7.9830 -7.7484 -7.7484 -7.7481 -7.7481 -4.7003 -4.7003 -4.3656 -4.3656 -3.9513 -3.9513 -3.9508 -3.9508 -2.7563 -2.7563 -2.6532 -2.6532 -2.6192 -2.6192 -2.6189 -2.6189 -1.3598 -1.3598 -1.2983 -1.2983 -1.2256 -1.2256 -1.2256 -1.2256 5.9150 5.9150 6.1588 6.1588 6.3680 6.3680 6.3706 6.3706 6.7290 6.7290 k = 0.5000 0.5000 0.1020 ( 9368 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1084 -8.1084 -7.9686 -7.9686 -7.7468 -7.7468 -7.7465 -7.7465 -4.7467 -4.7467 -4.3521 -4.3521 -3.9709 -3.9709 -3.9704 -3.9704 -2.7438 -2.7438 -2.6262 -2.6262 -2.5981 -2.5981 -2.5977 -2.5977 -1.3654 -1.3654 -1.2922 -1.2922 -1.2228 -1.2228 -1.2227 -1.2227 5.8626 5.8626 6.1678 6.1678 6.3337 6.3337 6.3367 6.3367 6.7172 6.7172 k = 0.5000 0.5000 0.1191 ( 9352 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1163 -8.1163 -7.9539 -7.9539 -7.7449 -7.7449 -7.7446 -7.7446 -4.7938 -4.7938 -4.3425 -4.3425 -3.9927 -3.9927 -3.9921 -3.9921 -2.7273 -2.7273 -2.5977 -2.5977 -2.5746 -2.5746 -2.5742 -2.5742 -1.3709 -1.3709 -1.2861 -1.2861 -1.2196 -1.2196 -1.2195 -1.2195 5.8057 5.8057 6.1761 6.1761 6.2955 6.2955 6.2988 6.2988 6.7127 6.7127 k = 0.5000 0.5000 0.1361 ( 9332 PWs) bands (ev): -74.8757 -74.8757 -74.8755 -74.8755 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1237 -8.1237 -7.9390 -7.9390 -7.7428 -7.7428 -7.7424 -7.7424 -4.8411 -4.8411 -4.3365 -4.3365 -4.0162 -4.0162 -4.0155 -4.0155 -2.7070 -2.7070 -2.5682 -2.5682 -2.5493 -2.5493 -2.5488 -2.5488 -1.3762 -1.3762 -1.2802 -1.2802 -1.2158 -1.2158 -1.2157 -1.2157 5.7454 5.7454 6.1837 6.1837 6.2542 6.2542 6.2578 6.2578 6.7151 6.7151 k = 0.5000 0.5000 0.1531 ( 9332 PWs) bands (ev): -74.8757 -74.8757 -74.8755 -74.8755 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1305 -8.1305 -7.9239 -7.9239 -7.7406 -7.7406 -7.7401 -7.7401 -4.8884 -4.8884 -4.3339 -4.3339 -4.0408 -4.0408 -4.0400 -4.0400 -2.6835 -2.6835 -2.5380 -2.5380 -2.5227 -2.5227 -2.5221 -2.5221 -1.3813 -1.3813 -1.2744 -1.2744 -1.2117 -1.2117 -1.2115 -1.2115 5.6829 5.6829 6.1906 6.1906 6.2109 6.2109 6.2145 6.2145 6.7235 6.7235 k = 0.5000 0.5000 0.1701 ( 9336 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1367 -8.1367 -7.9086 -7.9086 -7.7382 -7.7382 -7.7377 -7.7377 -4.9351 -4.9351 -4.3341 -4.3341 -4.0661 -4.0661 -4.0653 -4.0653 -2.6572 -2.6572 -2.5076 -2.5076 -2.4954 -2.4954 -2.4947 -2.4947 -1.3862 -1.3862 -1.2687 -1.2687 -1.2071 -1.2071 -1.2070 -1.2070 5.6192 5.6192 6.1654 6.1654 6.1697 6.1697 6.1975 6.1975 6.7371 6.7371 k = 0.5000 0.5000 0.1871 ( 9336 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1425 -8.1425 -7.8934 -7.8934 -7.7356 -7.7356 -7.7351 -7.7351 -4.9810 -4.9810 -4.3368 -4.3368 -4.0918 -4.0918 -4.0909 -4.0909 -2.6287 -2.6287 -2.4772 -2.4772 -2.4678 -2.4678 -2.4670 -2.4670 -1.3908 -1.3908 -1.2633 -1.2633 -1.2022 -1.2022 -1.2021 -1.2021 5.5554 5.5554 6.1198 6.1198 6.1241 6.1241 6.2033 6.2033 6.7555 6.7555 k = 0.5000 0.5000 0.2041 ( 9360 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1477 -8.1477 -7.8783 -7.8783 -7.7330 -7.7330 -7.7324 -7.7324 -5.0257 -5.0257 -4.3416 -4.3416 -4.1173 -4.1173 -4.1164 -4.1164 -2.5988 -2.5988 -2.4471 -2.4471 -2.4403 -2.4403 -2.4395 -2.4395 -1.3953 -1.3953 -1.2581 -1.2581 -1.1971 -1.1971 -1.1969 -1.1969 5.4923 5.4923 6.0741 6.0741 6.0785 6.0785 6.2083 6.2083 6.7777 6.7777 k = 0.5000 0.5000 0.2211 ( 9348 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1524 -8.1524 -7.8634 -7.8634 -7.7303 -7.7303 -7.7297 -7.7297 -5.0690 -5.0690 -4.3479 -4.3479 -4.1424 -4.1424 -4.1414 -4.1414 -2.5678 -2.5678 -2.4178 -2.4178 -2.4133 -2.4133 -2.4124 -2.4124 -1.3994 -1.3994 -1.2531 -1.2531 -1.1916 -1.1916 -1.1914 -1.1914 5.4307 5.4307 6.0291 6.0291 6.0336 6.0336 6.2125 6.2125 6.8034 6.8034 k = 0.5000 0.5000 0.2381 ( 9332 PWs) bands (ev): -74.8757 -74.8757 -74.8755 -74.8755 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1567 -8.1567 -7.8489 -7.8489 -7.7276 -7.7276 -7.7270 -7.7270 -5.1104 -5.1104 -4.3555 -4.3555 -4.1668 -4.1668 -4.1657 -4.1657 -2.5366 -2.5366 -2.3894 -2.3894 -2.3872 -2.3872 -2.3862 -2.3862 -1.4033 -1.4033 -1.2484 -1.2484 -1.1860 -1.1860 -1.1858 -1.1858 5.3712 5.3712 5.9852 5.9852 5.9898 5.9898 6.2157 6.2157 6.8319 6.8319 k = 0.5000 0.5000 0.2551 ( 9324 PWs) bands (ev): -74.8757 -74.8757 -74.8755 -74.8755 -41.8206 -41.8206 -41.8204 -41.8204 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1605 -8.1605 -7.8348 -7.8348 -7.7250 -7.7250 -7.7243 -7.7243 -5.1498 -5.1498 -4.3637 -4.3637 -4.1901 -4.1901 -4.1890 -4.1890 -2.5055 -2.5055 -2.3623 -2.3623 -2.3623 -2.3623 -2.3612 -2.3612 -1.4069 -1.4069 -1.2439 -1.2439 -1.1803 -1.1803 -1.1801 -1.1801 5.3145 5.3145 5.9430 5.9430 5.9477 5.9477 6.2178 6.2178 6.8626 6.8626 k = 0.5000 0.5000 0.2721 ( 9348 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8206 -41.8206 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5162 -41.5162 -41.5161 -41.5161 -8.1639 -8.1639 -7.8213 -7.8213 -7.7224 -7.7224 -7.7216 -7.7216 -5.1868 -5.1868 -4.3725 -4.3725 -4.2122 -4.2122 -4.2111 -4.2111 -2.4752 -2.4752 -2.3388 -2.3388 -2.3377 -2.3377 -2.3365 -2.3365 -1.4103 -1.4103 -1.2398 -1.2398 -1.1747 -1.1747 -1.1744 -1.1744 5.2611 5.2611 5.9030 5.9030 5.9077 5.9077 6.2188 6.2188 6.8945 6.8945 k = 0.5000 0.5000 0.2891 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1669 -8.1669 -7.8085 -7.8085 -7.7199 -7.7199 -7.7191 -7.7191 -5.2212 -5.2212 -4.3813 -4.3813 -4.2329 -4.2329 -4.2317 -4.2317 -2.4462 -2.4462 -2.3169 -2.3169 -2.3158 -2.3158 -2.3126 -2.3126 -1.4133 -1.4133 -1.2360 -1.2360 -1.1691 -1.1691 -1.1688 -1.1688 5.2114 5.2114 5.8655 5.8655 5.8703 5.8703 6.2187 6.2187 6.8745 6.8745 k = 0.5000 0.5000 0.3061 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1695 -8.1695 -7.7966 -7.7966 -7.7175 -7.7175 -7.7167 -7.7167 -5.2527 -5.2527 -4.3899 -4.3899 -4.2518 -4.2518 -4.2505 -4.2505 -2.4190 -2.4190 -2.2970 -2.2970 -2.2957 -2.2957 -2.2906 -2.2906 -1.4160 -1.4160 -1.2326 -1.2326 -1.1637 -1.1637 -1.1634 -1.1634 5.1658 5.1658 5.8311 5.8311 5.8359 5.8359 6.2175 6.2175 6.8571 6.8571 k = 0.5000 0.5000 0.3231 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1717 -8.1717 -7.7857 -7.7857 -7.7154 -7.7154 -7.7145 -7.7145 -5.2812 -5.2812 -4.3980 -4.3980 -4.2689 -4.2689 -4.2676 -4.2676 -2.3938 -2.3938 -2.2790 -2.2790 -2.2777 -2.2777 -2.2707 -2.2707 -1.4185 -1.4185 -1.2295 -1.2295 -1.1586 -1.1586 -1.1583 -1.1583 5.1248 5.1248 5.7999 5.7999 5.8048 5.8048 6.2156 6.2156 6.8425 6.8425 k = 0.5000 0.5000 0.3401 ( 9396 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1736 -8.1736 -7.7759 -7.7759 -7.7134 -7.7134 -7.7126 -7.7126 -5.3063 -5.3063 -4.4055 -4.4055 -4.2840 -4.2840 -4.2827 -4.2827 -2.3713 -2.3713 -2.2632 -2.2632 -2.2619 -2.2619 -2.2531 -2.2531 -1.4206 -1.4206 -1.2268 -1.2268 -1.1539 -1.1539 -1.1536 -1.1536 5.0885 5.0885 5.7723 5.7723 5.7773 5.7773 6.2130 6.2130 6.8305 6.8305 k = 0.5000 0.5000 0.3572 ( 9392 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1752 -8.1752 -7.7674 -7.7674 -7.7117 -7.7117 -7.7108 -7.7108 -5.3279 -5.3279 -4.4122 -4.4122 -4.2969 -4.2969 -4.2956 -4.2956 -2.3516 -2.3516 -2.2497 -2.2497 -2.2483 -2.2483 -2.2380 -2.2380 -1.4224 -1.4224 -1.2245 -1.2245 -1.1498 -1.1498 -1.1494 -1.1494 5.0574 5.0574 5.7486 5.7486 5.7535 5.7535 6.2102 6.2102 6.8210 6.8210 k = 0.5000 0.5000 0.3742 ( 9408 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5439 -41.5439 -41.5163 -41.5163 -41.5161 -41.5161 -8.1765 -8.1765 -7.7602 -7.7602 -7.7102 -7.7102 -7.7094 -7.7094 -5.3459 -5.3459 -4.4178 -4.4178 -4.3077 -4.3077 -4.3064 -4.3064 -2.3351 -2.3351 -2.2385 -2.2385 -2.2371 -2.2371 -2.2254 -2.2254 -1.4239 -1.4239 -1.2226 -1.2226 -1.1462 -1.1462 -1.1458 -1.1458 5.0315 5.0315 5.7288 5.7288 5.7338 5.7338 6.2073 6.2073 6.8136 6.8136 k = 0.5000 0.5000 0.3912 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1775 -8.1775 -7.7546 -7.7546 -7.7091 -7.7091 -7.7082 -7.7082 -5.3600 -5.3600 -4.4223 -4.4223 -4.3161 -4.3161 -4.3148 -4.3148 -2.3220 -2.3220 -2.2297 -2.2297 -2.2283 -2.2283 -2.2155 -2.2155 -1.4250 -1.4250 -1.2211 -1.2211 -1.1434 -1.1434 -1.1430 -1.1430 5.0112 5.0112 5.7133 5.7133 5.7183 5.7183 6.2048 6.2048 6.8083 6.8083 k = 0.5000 0.5000 0.4082 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1782 -8.1782 -7.7505 -7.7505 -7.7083 -7.7083 -7.7074 -7.7074 -5.3701 -5.3701 -4.4256 -4.4256 -4.3222 -4.3222 -4.3209 -4.3209 -2.3126 -2.3126 -2.2235 -2.2235 -2.2220 -2.2220 -2.2084 -2.2084 -1.4259 -1.4259 -1.2200 -1.2200 -1.1413 -1.1413 -1.1409 -1.1409 4.9966 4.9966 5.7021 5.7021 5.7071 5.7071 6.2028 6.2028 6.8047 6.8047 k = 0.5000 0.5000 0.4252 ( 9384 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1786 -8.1786 -7.7480 -7.7480 -7.7078 -7.7078 -7.7069 -7.7069 -5.3763 -5.3763 -4.4276 -4.4276 -4.3259 -4.3259 -4.3245 -4.3245 -2.3068 -2.3068 -2.2197 -2.2197 -2.2182 -2.2182 -2.2041 -2.2041 -1.4264 -1.4264 -1.2194 -1.2194 -1.1400 -1.1400 -1.1396 -1.1396 4.9878 4.9878 5.6954 5.6954 5.7004 5.7004 6.2015 6.2015 6.8026 6.8026 k = 0.5000 0.5000 0.4422 ( 9376 PWs) bands (ev): -74.8757 -74.8757 -74.8756 -74.8756 -41.8207 -41.8207 -41.8205 -41.8205 -41.5440 -41.5440 -41.5438 -41.5438 -41.5163 -41.5163 -41.5161 -41.5161 -8.1787 -8.1787 -7.7471 -7.7471 -7.7076 -7.7076 -7.7067 -7.7067 -5.3783 -5.3783 -4.4282 -4.4282 -4.3271 -4.3271 -4.3257 -4.3257 -2.3049 -2.3049 -2.2184 -2.2184 -2.2169 -2.2169 -2.2026 -2.2026 -1.4265 -1.4265 -1.2191 -1.2191 -1.1396 -1.1396 -1.1392 -1.1392 4.9849 4.9849 5.6931 5.6931 5.6982 5.6982 6.2010 6.2010 6.8019 6.8019 Writing output data file MgxBH4x2.save init_run : 0.94s CPU 0.59s WALL ( 1 calls) electrons : 389.12s CPU 274.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.19s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 389.11s CPU 274.69s 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 : 0.06s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.33s CPU 0.29s WALL ( 285 calls) cegterg : 328.29s CPU 239.84s WALL ( 460 calls) Called by sum_band: Called by *egterg: h_psi : 263.69s CPU 162.41s WALL ( 6899 calls) s_psi : 6.61s CPU 4.67s WALL ( 6899 calls) g_psi : 0.69s CPU 0.47s WALL ( 6154 calls) cdiaghg : 67.90s CPU 63.30s WALL ( 6439 calls) cegterg:over : 14.30s CPU 12.64s WALL ( 6154 calls) cegterg:upda : 14.58s CPU 13.16s WALL ( 6154 calls) cegterg:last : 5.54s CPU 5.55s WALL ( 1030 calls) cdiaghg:chol : 3.92s CPU 3.67s WALL ( 6439 calls) cdiaghg:inve : 2.52s CPU 2.44s WALL ( 6439 calls) cdiaghg:para : 4.15s CPU 3.94s WALL ( 12878 calls) Called by h_psi: h_psi:vloc : 245.18s CPU 148.55s WALL ( 6899 calls) h_psi:vnl : 17.81s CPU 13.27s WALL ( 6899 calls) add_vuspsi : 7.54s CPU 5.57s WALL ( 6899 calls) General routines calbec : 10.23s CPU 7.68s WALL ( 6899 calls) fft : 0.07s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 230.86s CPU 137.57s WALL ( 767728 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.34s CPU 1.55s WALL ( 570 calls) Parallel routines fft_scatter : 76.27s CPU 54.42s WALL ( 767751 calls) PWSCF : 6m55.78s CPU 5m19.00s WALL This run was terminated on: 19: 3:21 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=