Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:22:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./K2PdBr4.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 118 51 14 4762 1351 204 Max 120 52 15 4764 1364 207 Sum 8513 3697 1041 342949 97807 14733 bravais-lattice index = 14 lattice parameter (alat) = 14.0010 a.u. unit-cell volume = 1596.2180 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.000980 celldm(2)= 1.000000 celldm(3)= 0.581590 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.581590 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.719424 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) K 9.00 39.09830 K( 1.00) Pd 18.00 106.42000 Pd( 1.00) 16 Sym. Ops., with inversion, found 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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 268 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0037313 k( 3) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0037313 k( 4) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0037313 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0037313 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0037313 k( 7) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0037313 k( 8) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0037313 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0037313 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0037313 k( 11) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0037313 k( 12) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0037313 k( 13) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0037313 k( 14) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0037313 k( 15) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0037313 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0037313 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0037313 k( 18) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0037313 k( 19) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0037313 k( 20) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0037313 k( 21) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0037313 k( 22) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0037313 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 25) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0037313 k( 26) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0037313 k( 27) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0037313 k( 28) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0037313 k( 29) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0037313 k( 30) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0037313 k( 31) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0037313 k( 32) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0037313 k( 33) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0037313 k( 34) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0037313 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0037313 k( 36) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0037313 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0037313 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0037313 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0037313 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0037313 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0037313 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0037313 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0037313 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0037313 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0037313 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037313 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037313 k( 48) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0037313 k( 49) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0037313 k( 50) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0037313 k( 51) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0037313 k( 52) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0037313 k( 53) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0037313 k( 54) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0037313 k( 55) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0037313 k( 56) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0037313 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037313 k( 58) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0037313 k( 59) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0037313 k( 60) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0037313 k( 61) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0037313 k( 62) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0037313 k( 63) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0037313 k( 64) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0037313 k( 65) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0037313 k( 66) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0037313 k( 67) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0037313 k( 68) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0037313 k( 69) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0037313 k( 70) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0037313 k( 71) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0037313 k( 72) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0037313 k( 73) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0037313 k( 74) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0037313 k( 75) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0037313 k( 76) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0037313 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 79) = ( 0.0000000 0.0000000 0.0232355), wk = 0.0037313 k( 80) = ( 0.0000000 0.0000000 0.0464709), wk = 0.0037313 k( 81) = ( 0.0000000 0.0000000 0.0697064), wk = 0.0037313 k( 82) = ( 0.0000000 0.0000000 0.0929419), wk = 0.0037313 k( 83) = ( 0.0000000 0.0000000 0.1161773), wk = 0.0037313 k( 84) = ( 0.0000000 0.0000000 0.1394128), wk = 0.0037313 k( 85) = ( 0.0000000 0.0000000 0.1626483), wk = 0.0037313 k( 86) = ( 0.0000000 0.0000000 0.1858837), wk = 0.0037313 k( 87) = ( 0.0000000 0.0000000 0.2091192), wk = 0.0037313 k( 88) = ( 0.0000000 0.0000000 0.2323547), wk = 0.0037313 k( 89) = ( 0.0000000 0.0000000 0.2555901), wk = 0.0037313 k( 90) = ( 0.0000000 0.0000000 0.2788256), wk = 0.0037313 k( 91) = ( 0.0000000 0.0000000 0.3020611), wk = 0.0037313 k( 92) = ( 0.0000000 0.0000000 0.3252965), wk = 0.0037313 k( 93) = ( 0.0000000 0.0000000 0.3485320), wk = 0.0037313 k( 94) = ( 0.0000000 0.0000000 0.3717675), wk = 0.0037313 k( 95) = ( 0.0000000 0.0000000 0.3950029), wk = 0.0037313 k( 96) = ( 0.0000000 0.0000000 0.4182384), wk = 0.0037313 k( 97) = ( 0.0000000 0.0000000 0.4414739), wk = 0.0037313 k( 98) = ( 0.0000000 0.0000000 0.4647093), wk = 0.0037313 k( 99) = ( 0.0000000 0.0000000 0.4879448), wk = 0.0037313 k( 100) = ( 0.0000000 0.0000000 0.5111802), wk = 0.0037313 k( 101) = ( 0.0000000 0.0000000 0.5344157), wk = 0.0037313 k( 102) = ( 0.0000000 0.0000000 0.5576512), wk = 0.0037313 k( 103) = ( 0.0000000 0.0000000 0.5808866), wk = 0.0037313 k( 104) = ( 0.0000000 0.0000000 0.6041221), wk = 0.0037313 k( 105) = ( 0.0000000 0.0000000 0.6273576), wk = 0.0037313 k( 106) = ( 0.0000000 0.0000000 0.6505930), wk = 0.0037313 k( 107) = ( 0.0000000 0.0000000 0.6738285), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.6970640), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.7202994), wk = 0.0037313 k( 110) = ( 0.0000000 0.0000000 0.7435349), wk = 0.0037313 k( 111) = ( 0.0000000 0.0000000 0.7667704), wk = 0.0037313 k( 112) = ( 0.0000000 0.0000000 0.7900058), wk = 0.0037313 k( 113) = ( 0.0000000 0.0000000 0.8132413), wk = 0.0037313 k( 114) = ( 0.0000000 0.0000000 0.8364768), wk = 0.0037313 k( 115) = ( 0.0000000 0.0000000 0.8597122), wk = 0.0037313 k( 116) = ( 0.0000000 0.0000000 0.8597122), wk = 0.0037313 k( 117) = ( 0.0000000 0.0227273 0.8597122), wk = 0.0037313 k( 118) = ( 0.0000000 0.0454546 0.8597122), wk = 0.0037313 k( 119) = ( 0.0000000 0.0681818 0.8597122), wk = 0.0037313 k( 120) = ( 0.0000000 0.0909091 0.8597122), wk = 0.0037313 k( 121) = ( 0.0000000 0.1136364 0.8597122), wk = 0.0037313 k( 122) = ( 0.0000000 0.1363636 0.8597122), wk = 0.0037313 k( 123) = ( 0.0000000 0.1590909 0.8597122), wk = 0.0037313 k( 124) = ( 0.0000000 0.1818182 0.8597122), wk = 0.0037313 k( 125) = ( 0.0000000 0.2045454 0.8597122), wk = 0.0037313 k( 126) = ( 0.0000000 0.2272727 0.8597122), wk = 0.0037313 k( 127) = ( 0.0000000 0.2500000 0.8597122), wk = 0.0037313 k( 128) = ( 0.0000000 0.2727273 0.8597122), wk = 0.0037313 k( 129) = ( 0.0000000 0.2954545 0.8597122), wk = 0.0037313 k( 130) = ( 0.0000000 0.3181818 0.8597122), wk = 0.0037313 k( 131) = ( 0.0000000 0.3409091 0.8597122), wk = 0.0037313 k( 132) = ( 0.0000000 0.3636364 0.8597122), wk = 0.0037313 k( 133) = ( 0.0000000 0.3863636 0.8597122), wk = 0.0037313 k( 134) = ( 0.0000000 0.4090909 0.8597122), wk = 0.0037313 k( 135) = ( 0.0000000 0.4318182 0.8597122), wk = 0.0037313 k( 136) = ( 0.0000000 0.4545455 0.8597122), wk = 0.0037313 k( 137) = ( 0.0000000 0.4772727 0.8597122), wk = 0.0037313 k( 138) = ( 0.0000000 0.5000000 0.8597122), wk = 0.0037313 k( 139) = ( 0.0000000 0.5000000 0.8597122), wk = 0.0037313 k( 140) = ( 0.0227273 0.5000000 0.8597122), wk = 0.0037313 k( 141) = ( 0.0454546 0.5000000 0.8597122), wk = 0.0037313 k( 142) = ( 0.0681818 0.5000000 0.8597122), wk = 0.0037313 k( 143) = ( 0.0909091 0.5000000 0.8597122), wk = 0.0037313 k( 144) = ( 0.1136364 0.5000000 0.8597122), wk = 0.0037313 k( 145) = ( 0.1363636 0.5000000 0.8597122), wk = 0.0037313 k( 146) = ( 0.1590909 0.5000000 0.8597122), wk = 0.0037313 k( 147) = ( 0.1818182 0.5000000 0.8597122), wk = 0.0037313 k( 148) = ( 0.2045454 0.5000000 0.8597122), wk = 0.0037313 k( 149) = ( 0.2272727 0.5000000 0.8597122), wk = 0.0037313 k( 150) = ( 0.2500000 0.5000000 0.8597122), wk = 0.0037313 k( 151) = ( 0.2727273 0.5000000 0.8597122), wk = 0.0037313 k( 152) = ( 0.2954545 0.5000000 0.8597122), wk = 0.0037313 k( 153) = ( 0.3181818 0.5000000 0.8597122), wk = 0.0037313 k( 154) = ( 0.3409091 0.5000000 0.8597122), wk = 0.0037313 k( 155) = ( 0.3636364 0.5000000 0.8597122), wk = 0.0037313 k( 156) = ( 0.3863636 0.5000000 0.8597122), wk = 0.0037313 k( 157) = ( 0.4090909 0.5000000 0.8597122), wk = 0.0037313 k( 158) = ( 0.4318182 0.5000000 0.8597122), wk = 0.0037313 k( 159) = ( 0.4545455 0.5000000 0.8597122), wk = 0.0037313 k( 160) = ( 0.4772727 0.5000000 0.8597122), wk = 0.0037313 k( 161) = ( 0.5000000 0.5000000 0.8597122), wk = 0.0037313 k( 162) = ( 0.5000000 0.5000000 0.8597122), wk = 0.0037313 k( 163) = ( 0.4833333 0.4833333 0.8597122), wk = 0.0037313 k( 164) = ( 0.4666667 0.4666667 0.8597122), wk = 0.0037313 k( 165) = ( 0.4500000 0.4500000 0.8597122), wk = 0.0037313 k( 166) = ( 0.4333333 0.4333333 0.8597122), wk = 0.0037313 k( 167) = ( 0.4166667 0.4166667 0.8597122), wk = 0.0037313 k( 168) = ( 0.4000000 0.4000000 0.8597122), wk = 0.0037313 k( 169) = ( 0.3833333 0.3833333 0.8597122), wk = 0.0037313 k( 170) = ( 0.3666667 0.3666667 0.8597122), wk = 0.0037313 k( 171) = ( 0.3500000 0.3500000 0.8597122), wk = 0.0037313 k( 172) = ( 0.3333333 0.3333333 0.8597122), wk = 0.0037313 k( 173) = ( 0.3166667 0.3166667 0.8597122), wk = 0.0037313 k( 174) = ( 0.3000000 0.3000000 0.8597122), wk = 0.0037313 k( 175) = ( 0.2833333 0.2833333 0.8597122), wk = 0.0037313 k( 176) = ( 0.2666667 0.2666667 0.8597122), wk = 0.0037313 k( 177) = ( 0.2500000 0.2500000 0.8597122), wk = 0.0037313 k( 178) = ( 0.2333333 0.2333333 0.8597122), wk = 0.0037313 k( 179) = ( 0.2166667 0.2166667 0.8597122), wk = 0.0037313 k( 180) = ( 0.2000000 0.2000000 0.8597122), wk = 0.0037313 k( 181) = ( 0.1833333 0.1833333 0.8597122), wk = 0.0037313 k( 182) = ( 0.1666667 0.1666667 0.8597122), wk = 0.0037313 k( 183) = ( 0.1500000 0.1500000 0.8597122), wk = 0.0037313 k( 184) = ( 0.1333333 0.1333333 0.8597122), wk = 0.0037313 k( 185) = ( 0.1166667 0.1166667 0.8597122), wk = 0.0037313 k( 186) = ( 0.1000000 0.1000000 0.8597122), wk = 0.0037313 k( 187) = ( 0.0833333 0.0833333 0.8597122), wk = 0.0037313 k( 188) = ( 0.0666667 0.0666667 0.8597122), wk = 0.0037313 k( 189) = ( 0.0500000 0.0500000 0.8597122), wk = 0.0037313 k( 190) = ( 0.0333333 0.0333333 0.8597122), wk = 0.0037313 k( 191) = ( 0.0166667 0.0166667 0.8597122), wk = 0.0037313 k( 192) = ( 0.0000000 0.0000000 0.8597122), wk = 0.0037313 k( 193) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 194) = ( 0.0000000 0.5000000 0.0232355), wk = 0.0037313 k( 195) = ( 0.0000000 0.5000000 0.0464709), wk = 0.0037313 k( 196) = ( 0.0000000 0.5000000 0.0697064), wk = 0.0037313 k( 197) = ( 0.0000000 0.5000000 0.0929419), wk = 0.0037313 k( 198) = ( 0.0000000 0.5000000 0.1161773), wk = 0.0037313 k( 199) = ( 0.0000000 0.5000000 0.1394128), wk = 0.0037313 k( 200) = ( 0.0000000 0.5000000 0.1626483), wk = 0.0037313 k( 201) = ( 0.0000000 0.5000000 0.1858837), wk = 0.0037313 k( 202) = ( 0.0000000 0.5000000 0.2091192), wk = 0.0037313 k( 203) = ( 0.0000000 0.5000000 0.2323547), wk = 0.0037313 k( 204) = ( 0.0000000 0.5000000 0.2555901), wk = 0.0037313 k( 205) = ( 0.0000000 0.5000000 0.2788256), wk = 0.0037313 k( 206) = ( 0.0000000 0.5000000 0.3020611), wk = 0.0037313 k( 207) = ( 0.0000000 0.5000000 0.3252965), wk = 0.0037313 k( 208) = ( 0.0000000 0.5000000 0.3485320), wk = 0.0037313 k( 209) = ( 0.0000000 0.5000000 0.3717675), wk = 0.0037313 k( 210) = ( 0.0000000 0.5000000 0.3950029), wk = 0.0037313 k( 211) = ( 0.0000000 0.5000000 0.4182384), wk = 0.0037313 k( 212) = ( 0.0000000 0.5000000 0.4414739), wk = 0.0037313 k( 213) = ( 0.0000000 0.5000000 0.4647093), wk = 0.0037313 k( 214) = ( 0.0000000 0.5000000 0.4879448), wk = 0.0037313 k( 215) = ( 0.0000000 0.5000000 0.5111802), wk = 0.0037313 k( 216) = ( 0.0000000 0.5000000 0.5344157), wk = 0.0037313 k( 217) = ( 0.0000000 0.5000000 0.5576512), wk = 0.0037313 k( 218) = ( 0.0000000 0.5000000 0.5808866), wk = 0.0037313 k( 219) = ( 0.0000000 0.5000000 0.6041221), wk = 0.0037313 k( 220) = ( 0.0000000 0.5000000 0.6273576), wk = 0.0037313 k( 221) = ( 0.0000000 0.5000000 0.6505930), wk = 0.0037313 k( 222) = ( 0.0000000 0.5000000 0.6738285), wk = 0.0037313 k( 223) = ( 0.0000000 0.5000000 0.6970640), wk = 0.0037313 k( 224) = ( 0.0000000 0.5000000 0.7202994), wk = 0.0037313 k( 225) = ( 0.0000000 0.5000000 0.7435349), wk = 0.0037313 k( 226) = ( 0.0000000 0.5000000 0.7667704), wk = 0.0037313 k( 227) = ( 0.0000000 0.5000000 0.7900058), wk = 0.0037313 k( 228) = ( 0.0000000 0.5000000 0.8132413), wk = 0.0037313 k( 229) = ( 0.0000000 0.5000000 0.8364768), wk = 0.0037313 k( 230) = ( 0.0000000 0.5000000 0.8597122), wk = 0.0037313 k( 231) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037313 k( 232) = ( 0.5000000 0.5000000 0.0232355), wk = 0.0037313 k( 233) = ( 0.5000000 0.5000000 0.0464709), wk = 0.0037313 k( 234) = ( 0.5000000 0.5000000 0.0697064), wk = 0.0037313 k( 235) = ( 0.5000000 0.5000000 0.0929419), wk = 0.0037313 k( 236) = ( 0.5000000 0.5000000 0.1161773), wk = 0.0037313 k( 237) = ( 0.5000000 0.5000000 0.1394128), wk = 0.0037313 k( 238) = ( 0.5000000 0.5000000 0.1626483), wk = 0.0037313 k( 239) = ( 0.5000000 0.5000000 0.1858837), wk = 0.0037313 k( 240) = ( 0.5000000 0.5000000 0.2091192), wk = 0.0037313 k( 241) = ( 0.5000000 0.5000000 0.2323547), wk = 0.0037313 k( 242) = ( 0.5000000 0.5000000 0.2555901), wk = 0.0037313 k( 243) = ( 0.5000000 0.5000000 0.2788256), wk = 0.0037313 k( 244) = ( 0.5000000 0.5000000 0.3020611), wk = 0.0037313 k( 245) = ( 0.5000000 0.5000000 0.3252965), wk = 0.0037313 k( 246) = ( 0.5000000 0.5000000 0.3485320), wk = 0.0037313 k( 247) = ( 0.5000000 0.5000000 0.3717675), wk = 0.0037313 k( 248) = ( 0.5000000 0.5000000 0.3950029), wk = 0.0037313 k( 249) = ( 0.5000000 0.5000000 0.4182384), wk = 0.0037313 k( 250) = ( 0.5000000 0.5000000 0.4414739), wk = 0.0037313 k( 251) = ( 0.5000000 0.5000000 0.4647093), wk = 0.0037313 k( 252) = ( 0.5000000 0.5000000 0.4879448), wk = 0.0037313 k( 253) = ( 0.5000000 0.5000000 0.5111802), wk = 0.0037313 k( 254) = ( 0.5000000 0.5000000 0.5344157), wk = 0.0037313 k( 255) = ( 0.5000000 0.5000000 0.5576512), wk = 0.0037313 k( 256) = ( 0.5000000 0.5000000 0.5808866), wk = 0.0037313 k( 257) = ( 0.5000000 0.5000000 0.6041221), wk = 0.0037313 k( 258) = ( 0.5000000 0.5000000 0.6273576), wk = 0.0037313 k( 259) = ( 0.5000000 0.5000000 0.6505930), wk = 0.0037313 k( 260) = ( 0.5000000 0.5000000 0.6738285), wk = 0.0037313 k( 261) = ( 0.5000000 0.5000000 0.6970640), wk = 0.0037313 k( 262) = ( 0.5000000 0.5000000 0.7202994), wk = 0.0037313 k( 263) = ( 0.5000000 0.5000000 0.7435349), wk = 0.0037313 k( 264) = ( 0.5000000 0.5000000 0.7667704), wk = 0.0037313 k( 265) = ( 0.5000000 0.5000000 0.7900058), wk = 0.0037313 k( 266) = ( 0.5000000 0.5000000 0.8132413), wk = 0.0037313 k( 267) = ( 0.5000000 0.5000000 0.8364768), wk = 0.0037313 k( 268) = ( 0.5000000 0.5000000 0.8597122), wk = 0.0037313 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0037313 k( 3) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0037313 k( 4) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0037313 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0037313 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0037313 k( 7) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0037313 k( 8) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0037313 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0037313 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0037313 k( 11) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0037313 k( 12) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0037313 k( 13) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0037313 k( 14) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0037313 k( 15) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0037313 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0037313 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0037313 k( 18) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0037313 k( 19) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0037313 k( 20) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0037313 k( 21) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0037313 k( 22) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0037313 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 25) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0037313 k( 26) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0037313 k( 27) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0037313 k( 28) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0037313 k( 29) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0037313 k( 30) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0037313 k( 31) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0037313 k( 32) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0037313 k( 33) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0037313 k( 34) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0037313 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0037313 k( 36) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0037313 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0037313 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0037313 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0037313 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0037313 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0037313 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0037313 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0037313 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0037313 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0037313 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037313 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037313 k( 48) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0037313 k( 49) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0037313 k( 50) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0037313 k( 51) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0037313 k( 52) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0037313 k( 53) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0037313 k( 54) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0037313 k( 55) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0037313 k( 56) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0037313 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037313 k( 58) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0037313 k( 59) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0037313 k( 60) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0037313 k( 61) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0037313 k( 62) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0037313 k( 63) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0037313 k( 64) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0037313 k( 65) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0037313 k( 66) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0037313 k( 67) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0037313 k( 68) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0037313 k( 69) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0037313 k( 70) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0037313 k( 71) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0037313 k( 72) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0037313 k( 73) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0037313 k( 74) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0037313 k( 75) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0037313 k( 76) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0037313 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 79) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0037313 k( 80) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0037313 k( 81) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0037313 k( 82) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0037313 k( 83) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0037313 k( 84) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0037313 k( 85) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0037313 k( 86) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0037313 k( 87) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0037313 k( 88) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0037313 k( 89) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0037313 k( 90) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0037313 k( 91) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0037313 k( 92) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0037313 k( 93) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0037313 k( 94) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0037313 k( 95) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0037313 k( 96) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0037313 k( 97) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0037313 k( 98) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0037313 k( 99) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0037313 k( 100) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0037313 k( 101) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0037313 k( 102) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0037313 k( 103) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0037313 k( 104) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0037313 k( 105) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0037313 k( 106) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0037313 k( 107) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0037313 k( 110) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0037313 k( 111) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0037313 k( 112) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0037313 k( 113) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0037313 k( 114) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0037313 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 116) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 117) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0037313 k( 118) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0037313 k( 119) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0037313 k( 120) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0037313 k( 121) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0037313 k( 122) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0037313 k( 123) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0037313 k( 124) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0037313 k( 125) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0037313 k( 126) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0037313 k( 127) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0037313 k( 128) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0037313 k( 129) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0037313 k( 130) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0037313 k( 131) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0037313 k( 132) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0037313 k( 133) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0037313 k( 134) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0037313 k( 135) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0037313 k( 136) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0037313 k( 137) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0037313 k( 138) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037313 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037313 k( 140) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0037313 k( 141) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0037313 k( 142) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0037313 k( 143) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0037313 k( 144) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0037313 k( 145) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0037313 k( 146) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0037313 k( 147) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0037313 k( 148) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0037313 k( 149) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0037313 k( 150) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0037313 k( 151) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0037313 k( 152) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0037313 k( 153) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0037313 k( 154) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0037313 k( 155) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0037313 k( 156) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0037313 k( 157) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0037313 k( 158) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0037313 k( 159) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0037313 k( 160) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0037313 k( 161) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 k( 163) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0037313 k( 164) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0037313 k( 165) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0037313 k( 166) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0037313 k( 167) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0037313 k( 168) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0037313 k( 169) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0037313 k( 170) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0037313 k( 171) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0037313 k( 172) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037313 k( 173) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0037313 k( 174) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0037313 k( 175) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0037313 k( 176) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0037313 k( 177) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0037313 k( 178) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0037313 k( 179) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0037313 k( 180) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0037313 k( 181) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0037313 k( 182) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0037313 k( 183) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0037313 k( 184) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0037313 k( 185) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0037313 k( 186) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0037313 k( 187) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0037313 k( 188) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0037313 k( 189) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0037313 k( 190) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0037313 k( 191) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0037313 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 193) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 194) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0037313 k( 195) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0037313 k( 196) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0037313 k( 197) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0037313 k( 198) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0037313 k( 199) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0037313 k( 200) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0037313 k( 201) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0037313 k( 202) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0037313 k( 203) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0037313 k( 204) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0037313 k( 205) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0037313 k( 206) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0037313 k( 207) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0037313 k( 208) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0037313 k( 209) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0037313 k( 210) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0037313 k( 211) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0037313 k( 212) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0037313 k( 213) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0037313 k( 214) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0037313 k( 215) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0037313 k( 216) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0037313 k( 217) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0037313 k( 218) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0037313 k( 219) = ( 0.0000000 0.5000000 0.3513513), wk = 0.0037313 k( 220) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0037313 k( 221) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0037313 k( 222) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0037313 k( 223) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0037313 k( 224) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0037313 k( 225) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0037313 k( 226) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0037313 k( 227) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0037313 k( 228) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0037313 k( 229) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0037313 k( 230) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037313 k( 231) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037313 k( 232) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0037313 k( 233) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0037313 k( 234) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0037313 k( 235) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0037313 k( 236) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0037313 k( 237) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0037313 k( 238) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0037313 k( 239) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0037313 k( 240) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0037313 k( 241) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0037313 k( 242) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0037313 k( 243) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0037313 k( 244) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0037313 k( 245) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0037313 k( 246) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0037313 k( 247) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0037313 k( 248) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0037313 k( 249) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0037313 k( 250) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0037313 k( 251) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0037313 k( 252) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0037313 k( 253) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0037313 k( 254) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0037313 k( 255) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0037313 k( 256) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0037313 k( 257) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0037313 k( 258) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0037313 k( 259) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0037313 k( 260) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0037313 k( 261) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0037313 k( 262) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0037313 k( 263) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0037313 k( 264) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0037313 k( 265) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0037313 k( 266) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0037313 k( 267) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0037313 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 Dense grid: 342949 G-vectors FFT dimensions: ( 108, 108, 64) Smooth grid: 97807 G-vectors FFT dimensions: ( 72, 72, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 360, 76) NL pseudopotentials 0.43 Mb ( 180, 158) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.04 Mb ( 4763) G-vector shells 0.02 Mb ( 2323) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.67 Mb ( 360, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.37 Mb ( 158, 2, 76) The potential is recalculated from file : ./K2PdBr4.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 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.6 secs Computing kpt #: 7 total cpu time spent up to now is 13.1 secs Computing kpt #: 8 total cpu time spent up to now is 14.5 secs Computing kpt #: 9 total cpu time spent up to now is 15.8 secs Computing kpt #: 10 total cpu time spent up to now is 17.1 secs Computing kpt #: 11 total cpu time spent up to now is 18.5 secs Computing kpt #: 12 total cpu time spent up to now is 20.0 secs Computing kpt #: 13 total cpu time spent up to now is 21.5 secs Computing kpt #: 14 total cpu time spent up to now is 23.0 secs Computing kpt #: 15 total cpu time spent up to now is 24.5 secs Computing kpt #: 16 total cpu time spent up to now is 26.0 secs Computing kpt #: 17 total cpu time spent up to now is 27.5 secs Computing kpt #: 18 total cpu time spent up to now is 29.0 secs Computing kpt #: 19 total cpu time spent up to now is 30.5 secs Computing kpt #: 20 total cpu time spent up to now is 31.9 secs Computing kpt #: 21 total cpu time spent up to now is 33.4 secs Computing kpt #: 22 total cpu time spent up to now is 35.0 secs Computing kpt #: 23 total cpu time spent up to now is 36.5 secs Computing kpt #: 24 total cpu time spent up to now is 38.1 secs Computing kpt #: 25 total cpu time spent up to now is 39.5 secs Computing kpt #: 26 total cpu time spent up to now is 41.0 secs Computing kpt #: 27 total cpu time spent up to now is 42.5 secs Computing kpt #: 28 total cpu time spent up to now is 44.0 secs Computing kpt #: 29 total cpu time spent up to now is 45.5 secs Computing kpt #: 30 total cpu time spent up to now is 47.0 secs Computing kpt #: 31 total cpu time spent up to now is 48.5 secs Computing kpt #: 32 total cpu time spent up to now is 50.0 secs Computing kpt #: 33 total cpu time spent up to now is 51.3 secs Computing kpt #: 34 total cpu time spent up to now is 52.6 secs Computing kpt #: 35 total cpu time spent up to now is 53.9 secs Computing kpt #: 36 total cpu time spent up to now is 55.2 secs Computing kpt #: 37 total cpu time spent up to now is 56.5 secs Computing kpt #: 38 total cpu time spent up to now is 57.8 secs Computing kpt #: 39 total cpu time spent up to now is 59.1 secs Computing kpt #: 40 total cpu time spent up to now is 60.3 secs Computing kpt #: 41 total cpu time spent up to now is 61.8 secs Computing kpt #: 42 total cpu time spent up to now is 63.3 secs Computing kpt #: 43 total cpu time spent up to now is 64.7 secs Computing kpt #: 44 total cpu time spent up to now is 66.2 secs Computing kpt #: 45 total cpu time spent up to now is 67.7 secs Computing kpt #: 46 total cpu time spent up to now is 69.2 secs Computing kpt #: 47 total cpu time spent up to now is 70.7 secs Computing kpt #: 48 total cpu time spent up to now is 72.2 secs Computing kpt #: 49 total cpu time spent up to now is 73.7 secs Computing kpt #: 50 total cpu time spent up to now is 75.1 secs Computing kpt #: 51 total cpu time spent up to now is 76.6 secs Computing kpt #: 52 total cpu time spent up to now is 77.8 secs Computing kpt #: 53 total cpu time spent up to now is 79.1 secs Computing kpt #: 54 total cpu time spent up to now is 80.3 secs Computing kpt #: 55 total cpu time spent up to now is 81.6 secs Computing kpt #: 56 total cpu time spent up to now is 82.8 secs Computing kpt #: 57 total cpu time spent up to now is 84.1 secs Computing kpt #: 58 total cpu time spent up to now is 85.3 secs Computing kpt #: 59 total cpu time spent up to now is 86.6 secs Computing kpt #: 60 total cpu time spent up to now is 87.9 secs Computing kpt #: 61 total cpu time spent up to now is 89.2 secs Computing kpt #: 62 total cpu time spent up to now is 90.4 secs Computing kpt #: 63 total cpu time spent up to now is 91.7 secs Computing kpt #: 64 total cpu time spent up to now is 93.0 secs Computing kpt #: 65 total cpu time spent up to now is 94.5 secs Computing kpt #: 66 total cpu time spent up to now is 96.0 secs Computing kpt #: 67 total cpu time spent up to now is 97.5 secs Computing kpt #: 68 total cpu time spent up to now is 98.9 secs Computing kpt #: 69 total cpu time spent up to now is 100.4 secs Computing kpt #: 70 total cpu time spent up to now is 102.0 secs Computing kpt #: 71 total cpu time spent up to now is 103.8 secs Computing kpt #: 72 total cpu time spent up to now is 105.2 secs Computing kpt #: 73 total cpu time spent up to now is 106.7 secs Computing kpt #: 74 total cpu time spent up to now is 108.2 secs Computing kpt #: 75 total cpu time spent up to now is 109.6 secs Computing kpt #: 76 total cpu time spent up to now is 111.1 secs Computing kpt #: 77 total cpu time spent up to now is 112.5 secs Computing kpt #: 78 total cpu time spent up to now is 114.0 secs Computing kpt #: 79 total cpu time spent up to now is 115.5 secs Computing kpt #: 80 total cpu time spent up to now is 117.0 secs Computing kpt #: 81 total cpu time spent up to now is 118.4 secs Computing kpt #: 82 total cpu time spent up to now is 119.9 secs Computing kpt #: 83 total cpu time spent up to now is 121.4 secs Computing kpt #: 84 total cpu time spent up to now is 122.9 secs Computing kpt #: 85 total cpu time spent up to now is 124.4 secs Computing kpt #: 86 total cpu time spent up to now is 125.7 secs Computing kpt #: 87 total cpu time spent up to now is 127.0 secs Computing kpt #: 88 total cpu time spent up to now is 128.3 secs Computing kpt #: 89 total cpu time spent up to now is 129.6 secs Computing kpt #: 90 total cpu time spent up to now is 131.1 secs Computing kpt #: 91 total cpu time spent up to now is 132.4 secs Computing kpt #: 92 total cpu time spent up to now is 133.9 secs Computing kpt #: 93 total cpu time spent up to now is 135.2 secs Computing kpt #: 94 total cpu time spent up to now is 136.7 secs Computing kpt #: 95 total cpu time spent up to now is 138.2 secs Computing kpt #: 96 total cpu time spent up to now is 139.8 secs Computing kpt #: 97 total cpu time spent up to now is 141.4 secs Computing kpt #: 98 total cpu time spent up to now is 143.0 secs Computing kpt #: 99 total cpu time spent up to now is 144.6 secs Computing kpt #: 100 total cpu time spent up to now is 146.2 secs Computing kpt #: 101 total cpu time spent up to now is 147.8 secs Computing kpt #: 102 total cpu time spent up to now is 149.9 secs Computing kpt #: 103 total cpu time spent up to now is 151.7 secs Computing kpt #: 104 total cpu time spent up to now is 154.6 secs Computing kpt #: 105 total cpu time spent up to now is 157.7 secs Computing kpt #: 106 total cpu time spent up to now is 159.8 secs Computing kpt #: 107 total cpu time spent up to now is 162.0 secs Computing kpt #: 108 total cpu time spent up to now is 163.5 secs Computing kpt #: 109 total cpu time spent up to now is 165.0 secs Computing kpt #: 110 total cpu time spent up to now is 166.2 secs Computing kpt #: 111 total cpu time spent up to now is 167.6 secs Computing kpt #: 112 total cpu time spent up to now is 168.9 secs Computing kpt #: 113 total cpu time spent up to now is 170.1 secs Computing kpt #: 114 total cpu time spent up to now is 171.6 secs Computing kpt #: 115 total cpu time spent up to now is 172.8 secs Computing kpt #: 116 total cpu time spent up to now is 174.1 secs Computing kpt #: 117 total cpu time spent up to now is 175.3 secs Computing kpt #: 118 total cpu time spent up to now is 176.5 secs Computing kpt #: 119 total cpu time spent up to now is 177.8 secs Computing kpt #: 120 total cpu time spent up to now is 179.0 secs Computing kpt #: 121 total cpu time spent up to now is 180.2 secs Computing kpt #: 122 total cpu time spent up to now is 181.5 secs Computing kpt #: 123 total cpu time spent up to now is 182.8 secs Computing kpt #: 124 total cpu time spent up to now is 184.0 secs Computing kpt #: 125 total cpu time spent up to now is 185.3 secs Computing kpt #: 126 total cpu time spent up to now is 186.6 secs Computing kpt #: 127 total cpu time spent up to now is 187.9 secs Computing kpt #: 128 total cpu time spent up to now is 189.2 secs Computing kpt #: 129 total cpu time spent up to now is 190.7 secs Computing kpt #: 130 total cpu time spent up to now is 192.2 secs Computing kpt #: 131 total cpu time spent up to now is 194.1 secs Computing kpt #: 132 total cpu time spent up to now is 195.6 secs Computing kpt #: 133 total cpu time spent up to now is 197.1 secs Computing kpt #: 134 total cpu time spent up to now is 198.6 secs Computing kpt #: 135 total cpu time spent up to now is 200.2 secs Computing kpt #: 136 total cpu time spent up to now is 201.7 secs Computing kpt #: 137 total cpu time spent up to now is 203.2 secs Computing kpt #: 138 total cpu time spent up to now is 204.7 secs Computing kpt #: 139 total cpu time spent up to now is 206.2 secs Computing kpt #: 140 total cpu time spent up to now is 207.8 secs Computing kpt #: 141 total cpu time spent up to now is 209.3 secs Computing kpt #: 142 total cpu time spent up to now is 210.8 secs Computing kpt #: 143 total cpu time spent up to now is 212.4 secs Computing kpt #: 144 total cpu time spent up to now is 213.9 secs Computing kpt #: 145 total cpu time spent up to now is 215.5 secs Computing kpt #: 146 total cpu time spent up to now is 217.0 secs Computing kpt #: 147 total cpu time spent up to now is 218.5 secs Computing kpt #: 148 total cpu time spent up to now is 220.1 secs Computing kpt #: 149 total cpu time spent up to now is 221.6 secs Computing kpt #: 150 total cpu time spent up to now is 223.1 secs Computing kpt #: 151 total cpu time spent up to now is 224.7 secs Computing kpt #: 152 total cpu time spent up to now is 226.2 secs Computing kpt #: 153 total cpu time spent up to now is 227.7 secs Computing kpt #: 154 total cpu time spent up to now is 229.2 secs Computing kpt #: 155 total cpu time spent up to now is 230.7 secs Computing kpt #: 156 total cpu time spent up to now is 232.1 secs Computing kpt #: 157 total cpu time spent up to now is 233.6 secs Computing kpt #: 158 total cpu time spent up to now is 235.2 secs Computing kpt #: 159 total cpu time spent up to now is 236.8 secs Computing kpt #: 160 total cpu time spent up to now is 238.4 secs Computing kpt #: 161 total cpu time spent up to now is 240.0 secs Computing kpt #: 162 total cpu time spent up to now is 242.0 secs Computing kpt #: 163 total cpu time spent up to now is 243.6 secs Computing kpt #: 164 total cpu time spent up to now is 245.2 secs Computing kpt #: 165 total cpu time spent up to now is 246.9 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.7 secs Computing kpt #: 167 total cpu time spent up to now is 252.1 secs Computing kpt #: 168 total cpu time spent up to now is 253.7 secs Computing kpt #: 169 total cpu time spent up to now is 255.2 secs Computing kpt #: 170 total cpu time spent up to now is 256.7 secs Computing kpt #: 171 total cpu time spent up to now is 258.3 secs Computing kpt #: 172 total cpu time spent up to now is 259.9 secs Computing kpt #: 173 total cpu time spent up to now is 261.4 secs Computing kpt #: 174 total cpu time spent up to now is 263.0 secs Computing kpt #: 175 total cpu time spent up to now is 264.5 secs Computing kpt #: 176 total cpu time spent up to now is 265.9 secs Computing kpt #: 177 total cpu time spent up to now is 267.2 secs Computing kpt #: 178 total cpu time spent up to now is 268.5 secs Computing kpt #: 179 total cpu time spent up to now is 269.7 secs Computing kpt #: 180 total cpu time spent up to now is 271.0 secs Computing kpt #: 181 total cpu time spent up to now is 272.2 secs Computing kpt #: 182 total cpu time spent up to now is 273.5 secs Computing kpt #: 183 total cpu time spent up to now is 274.8 secs Computing kpt #: 184 total cpu time spent up to now is 276.0 secs Computing kpt #: 185 total cpu time spent up to now is 277.3 secs Computing kpt #: 186 total cpu time spent up to now is 278.5 secs Computing kpt #: 187 total cpu time spent up to now is 279.8 secs Computing kpt #: 188 total cpu time spent up to now is 281.1 secs Computing kpt #: 189 total cpu time spent up to now is 282.3 secs Computing kpt #: 190 total cpu time spent up to now is 283.6 secs Computing kpt #: 191 total cpu time spent up to now is 284.9 secs Computing kpt #: 192 total cpu time spent up to now is 286.1 secs Computing kpt #: 193 total cpu time spent up to now is 287.7 secs Computing kpt #: 194 total cpu time spent up to now is 289.2 secs Computing kpt #: 195 total cpu time spent up to now is 290.8 secs Computing kpt #: 196 total cpu time spent up to now is 292.3 secs Computing kpt #: 197 total cpu time spent up to now is 293.8 secs Computing kpt #: 198 total cpu time spent up to now is 295.4 secs Computing kpt #: 199 total cpu time spent up to now is 296.9 secs Computing kpt #: 200 total cpu time spent up to now is 298.4 secs Computing kpt #: 201 total cpu time spent up to now is 300.0 secs Computing kpt #: 202 total cpu time spent up to now is 301.6 secs Computing kpt #: 203 total cpu time spent up to now is 303.6 secs Computing kpt #: 204 total cpu time spent up to now is 305.2 secs Computing kpt #: 205 total cpu time spent up to now is 306.9 secs Computing kpt #: 206 total cpu time spent up to now is 308.4 secs Computing kpt #: 207 total cpu time spent up to now is 310.0 secs Computing kpt #: 208 total cpu time spent up to now is 311.5 secs Computing kpt #: 209 total cpu time spent up to now is 313.1 secs Computing kpt #: 210 total cpu time spent up to now is 314.6 secs Computing kpt #: 211 total cpu time spent up to now is 316.1 secs Computing kpt #: 212 total cpu time spent up to now is 317.5 secs Computing kpt #: 213 total cpu time spent up to now is 318.9 secs Computing kpt #: 214 total cpu time spent up to now is 320.1 secs Computing kpt #: 215 total cpu time spent up to now is 321.5 secs Computing kpt #: 216 total cpu time spent up to now is 322.8 secs Computing kpt #: 217 total cpu time spent up to now is 324.1 secs Computing kpt #: 218 total cpu time spent up to now is 325.6 secs Computing kpt #: 219 total cpu time spent up to now is 326.9 secs Computing kpt #: 220 total cpu time spent up to now is 328.3 secs Computing kpt #: 221 total cpu time spent up to now is 329.6 secs Computing kpt #: 222 total cpu time spent up to now is 331.0 secs Computing kpt #: 223 total cpu time spent up to now is 332.3 secs Computing kpt #: 224 total cpu time spent up to now is 333.6 secs Computing kpt #: 225 total cpu time spent up to now is 335.0 secs Computing kpt #: 226 total cpu time spent up to now is 336.3 secs Computing kpt #: 227 total cpu time spent up to now is 337.7 secs Computing kpt #: 228 total cpu time spent up to now is 339.3 secs Computing kpt #: 229 total cpu time spent up to now is 340.8 secs Computing kpt #: 230 total cpu time spent up to now is 342.3 secs Computing kpt #: 231 total cpu time spent up to now is 343.9 secs Computing kpt #: 232 total cpu time spent up to now is 345.4 secs Computing kpt #: 233 total cpu time spent up to now is 346.9 secs Computing kpt #: 234 total cpu time spent up to now is 348.4 secs Computing kpt #: 235 total cpu time spent up to now is 349.9 secs Computing kpt #: 236 total cpu time spent up to now is 351.4 secs Computing kpt #: 237 total cpu time spent up to now is 352.9 secs Computing kpt #: 238 total cpu time spent up to now is 354.5 secs Computing kpt #: 239 total cpu time spent up to now is 356.0 secs Computing kpt #: 240 total cpu time spent up to now is 357.5 secs Computing kpt #: 241 total cpu time spent up to now is 359.1 secs Computing kpt #: 242 total cpu time spent up to now is 360.6 secs Computing kpt #: 243 total cpu time spent up to now is 362.2 secs Computing kpt #: 244 total cpu time spent up to now is 363.7 secs Computing kpt #: 245 total cpu time spent up to now is 365.3 secs Computing kpt #: 246 total cpu time spent up to now is 367.2 secs Computing kpt #: 247 total cpu time spent up to now is 368.8 secs Computing kpt #: 248 total cpu time spent up to now is 370.4 secs Computing kpt #: 249 total cpu time spent up to now is 372.0 secs Computing kpt #: 250 total cpu time spent up to now is 373.7 secs Computing kpt #: 251 total cpu time spent up to now is 376.4 secs Computing kpt #: 252 total cpu time spent up to now is 379.0 secs Computing kpt #: 253 total cpu time spent up to now is 381.9 secs Computing kpt #: 254 total cpu time spent up to now is 385.5 secs Computing kpt #: 255 total cpu time spent up to now is 389.1 secs Computing kpt #: 256 total cpu time spent up to now is 391.7 secs Computing kpt #: 257 total cpu time spent up to now is 394.3 secs Computing kpt #: 258 total cpu time spent up to now is 396.9 secs Computing kpt #: 259 total cpu time spent up to now is 399.6 secs Computing kpt #: 260 total cpu time spent up to now is 402.2 secs Computing kpt #: 261 total cpu time spent up to now is 405.0 secs Computing kpt #: 262 total cpu time spent up to now is 407.5 secs Computing kpt #: 263 total cpu time spent up to now is 410.4 secs Computing kpt #: 264 total cpu time spent up to now is 412.9 secs Computing kpt #: 265 total cpu time spent up to now is 415.7 secs Computing kpt #: 266 total cpu time spent up to now is 417.8 secs Computing kpt #: 267 total cpu time spent up to now is 420.1 secs Computing kpt #: 268 total cpu time spent up to now is 421.8 secs ethr = 1.56E-08, avg # of iterations = 26.3 total cpu time spent up to now is 421.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12271 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0003 -26.0003 -25.9993 -25.9993 -11.4200 -11.4200 -11.0929 -11.0929 -11.0926 -11.0926 -10.8628 -10.8628 -9.6768 -9.6768 -9.5922 -9.5922 -9.4254 -9.4254 -9.3953 -9.3953 -9.3452 -9.3452 -9.3065 -9.3065 -1.4875 -1.4875 -1.0835 -1.0835 -1.0443 -1.0443 -0.1437 -0.1437 0.0933 0.0933 0.5119 0.5119 0.6180 0.6180 1.0736 1.0736 1.7343 1.7343 1.8213 1.8213 1.8370 1.8370 1.8784 1.8784 2.0065 2.0065 2.2136 2.2136 2.6449 2.6449 2.7139 2.7139 4.8535 4.8535 6.4817 6.4817 7.7255 7.7255 9.1989 9.1989 9.1998 9.1998 9.2706 9.2706 k = 0.0000 0.0227-0.0000 ( 12251 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0003 -26.0003 -25.9993 -25.9993 -11.4199 -11.4199 -11.0929 -11.0929 -11.0924 -11.0924 -10.8631 -10.8631 -9.6766 -9.6766 -9.5923 -9.5923 -9.4252 -9.4252 -9.3952 -9.3952 -9.3453 -9.3453 -9.3066 -9.3066 -1.4864 -1.4864 -1.0834 -1.0834 -1.0443 -1.0443 -0.1430 -0.1430 0.0939 0.0939 0.5120 0.5120 0.6181 0.6181 1.0733 1.0733 1.7274 1.7274 1.8237 1.8237 1.8372 1.8372 1.8788 1.8788 2.0073 2.0073 2.2123 2.2123 2.6449 2.6449 2.7141 2.7141 4.8516 4.8516 6.4854 6.4854 7.7287 7.7287 9.1911 9.1911 9.2015 9.2015 9.2737 9.2737 k = 0.0000 0.0455-0.0000 ( 12227 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0003 -26.0003 -25.9993 -25.9993 -11.4197 -11.4197 -11.0930 -11.0930 -11.0917 -11.0917 -10.8640 -10.8640 -9.6763 -9.6763 -9.5926 -9.5926 -9.4248 -9.4248 -9.3951 -9.3951 -9.3456 -9.3456 -9.3071 -9.3071 -1.4833 -1.4833 -1.0835 -1.0835 -1.0439 -1.0439 -0.1411 -0.1411 0.0961 0.0961 0.5123 0.5123 0.6184 0.6184 1.0726 1.0726 1.7090 1.7090 1.8271 1.8271 1.8393 1.8393 1.8796 1.8796 2.0094 2.0094 2.2086 2.2086 2.6448 2.6448 2.7147 2.7147 4.8456 4.8456 6.4964 6.4964 7.7381 7.7381 9.1684 9.1684 9.2076 9.2076 9.2815 9.2815 k = 0.0000 0.0682-0.0000 ( 12219 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4193 -11.4193 -11.0933 -11.0933 -11.0905 -11.0905 -10.8656 -10.8656 -9.6757 -9.6757 -9.5931 -9.5931 -9.4241 -9.4241 -9.3949 -9.3949 -9.3460 -9.3460 -9.3079 -9.3079 -1.4780 -1.4780 -1.0847 -1.0847 -1.0422 -1.0422 -0.1385 -0.1385 0.0999 0.0999 0.5127 0.5127 0.6189 0.6189 1.0712 1.0712 1.6827 1.6827 1.8268 1.8268 1.8450 1.8450 1.8808 1.8808 2.0126 2.0126 2.2025 2.2025 2.6447 2.6447 2.7158 2.7158 4.8359 4.8359 6.5145 6.5145 7.7538 7.7538 9.1340 9.1340 9.2176 9.2176 9.2922 9.2922 k = 0.0000 0.0909-0.0000 ( 12207 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4188 -11.4188 -11.0937 -11.0937 -11.0887 -11.0887 -10.8678 -10.8678 -9.6748 -9.6748 -9.5937 -9.5937 -9.4231 -9.4231 -9.3945 -9.3945 -9.3465 -9.3465 -9.3090 -9.3090 -1.4709 -1.4709 -1.0875 -1.0875 -1.0384 -1.0384 -0.1357 -0.1357 0.1060 0.1060 0.5133 0.5133 0.6196 0.6196 1.0693 1.0693 1.6508 1.6508 1.8237 1.8237 1.8519 1.8519 1.8823 1.8823 2.0169 2.0169 2.1940 2.1940 2.6444 2.6444 2.7173 2.7173 4.8226 4.8226 6.5395 6.5395 7.7756 7.7756 9.0897 9.0897 9.2309 9.2309 9.3053 9.3053 k = 0.0000 0.1136-0.0000 ( 12207 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4181 -11.4181 -11.0943 -11.0943 -11.0864 -11.0864 -10.8706 -10.8706 -9.6738 -9.6738 -9.5946 -9.5946 -9.4218 -9.4218 -9.3941 -9.3941 -9.3472 -9.3472 -9.3104 -9.3104 -1.4619 -1.4619 -1.0926 -1.0926 -1.0317 -1.0317 -0.1334 -0.1334 0.1147 0.1147 0.5140 0.5140 0.6205 0.6205 1.0665 1.0665 1.6148 1.6148 1.8193 1.8193 1.8583 1.8583 1.8839 1.8839 2.0217 2.0217 2.1831 2.1831 2.6440 2.6440 2.7193 2.7193 4.8062 4.8062 6.5710 6.5710 7.8035 7.8035 9.0369 9.0369 9.2471 9.2471 9.3210 9.3210 k = 0.0000 0.1364-0.0000 ( 12198 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4173 -11.4173 -11.0949 -11.0949 -11.0837 -11.0837 -10.8740 -10.8740 -9.6725 -9.6725 -9.5956 -9.5956 -9.4203 -9.4203 -9.3936 -9.3936 -9.3481 -9.3481 -9.3120 -9.3120 -1.4513 -1.4513 -1.0995 -1.0995 -1.0223 -1.0223 -0.1324 -0.1324 0.1266 0.1266 0.5149 0.5149 0.6216 0.6216 1.0627 1.0627 1.5755 1.5755 1.8139 1.8139 1.8640 1.8640 1.8856 1.8856 2.0269 2.0269 2.1699 2.1699 2.6434 2.6434 2.7217 2.7217 4.7870 4.7870 6.6086 6.6086 7.8373 7.8373 8.9771 8.9771 9.2655 9.2655 9.3393 9.3393 k = 0.0000 0.1591-0.0000 ( 12194 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4164 -11.4164 -11.0956 -11.0956 -11.0805 -11.0805 -10.8779 -10.8779 -9.6710 -9.6710 -9.5968 -9.5968 -9.4185 -9.4185 -9.3930 -9.3930 -9.3491 -9.3491 -9.3139 -9.3139 -1.4394 -1.4394 -1.1078 -1.1078 -1.0104 -1.0104 -0.1332 -0.1332 0.1420 0.1420 0.5158 0.5158 0.6229 0.6229 1.0575 1.0575 1.5341 1.5341 1.8077 1.8077 1.8691 1.8691 1.8873 1.8873 2.0321 2.0321 2.1546 2.1546 2.6427 2.6427 2.7245 2.7245 4.7657 4.7657 6.6518 6.6518 7.8769 7.8769 8.9114 8.9114 9.2852 9.2852 9.3602 9.3602 k = 0.0000 0.1818-0.0000 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4154 -11.4154 -11.0964 -11.0964 -11.0769 -11.0769 -10.8823 -10.8823 -9.6693 -9.6693 -9.5982 -9.5982 -9.4165 -9.4165 -9.3924 -9.3924 -9.3502 -9.3502 -9.3161 -9.3161 -1.4263 -1.4263 -1.1171 -1.1171 -0.9961 -0.9961 -0.1361 -0.1361 0.1607 0.1607 0.5169 0.5169 0.6242 0.6242 1.0507 1.0507 1.4915 1.4915 1.8010 1.8010 1.8735 1.8735 1.8890 1.8890 2.0373 2.0373 2.1374 2.1374 2.6417 2.6417 2.7276 2.7276 4.7426 4.7426 6.7002 6.7002 7.9220 7.9220 8.8410 8.8410 9.3056 9.3056 9.3839 9.3839 k = 0.0000 0.2045-0.0000 ( 12180 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9994 -25.9994 -11.4144 -11.4144 -11.0973 -11.0973 -11.0728 -11.0728 -10.8872 -10.8872 -9.6675 -9.6675 -9.5997 -9.5997 -9.4142 -9.4142 -9.3916 -9.3916 -9.3514 -9.3514 -9.3186 -9.3186 -1.4123 -1.4123 -1.1269 -1.1269 -0.9799 -0.9799 -0.1409 -0.1409 0.1825 0.1825 0.5179 0.5179 0.6258 0.6258 1.0416 1.0416 1.4490 1.4490 1.7938 1.7938 1.8775 1.8775 1.8908 1.8908 2.0423 2.0423 2.1184 2.1184 2.6406 2.6406 2.7311 2.7311 4.7184 4.7184 6.7532 6.7532 7.9725 7.9725 8.7669 8.7669 9.3258 9.3258 9.4100 9.4100 k = 0.0000 0.2273-0.0000 ( 12170 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9994 -25.9994 -11.4133 -11.4133 -11.0982 -11.0982 -11.0683 -11.0683 -10.8926 -10.8926 -9.6654 -9.6654 -9.6015 -9.6015 -9.4118 -9.4118 -9.3907 -9.3907 -9.3528 -9.3528 -9.3212 -9.3212 -1.3977 -1.3977 -1.1369 -1.1369 -0.9618 -0.9618 -0.1476 -0.1476 0.2069 0.2069 0.5190 0.5190 0.6274 0.6274 1.0297 1.0297 1.4079 1.4079 1.7863 1.7863 1.8811 1.8811 1.8927 1.8927 2.0468 2.0468 2.0982 2.0982 2.6393 2.6393 2.7348 2.7348 4.6936 4.6936 6.8104 6.8104 8.0281 8.0281 8.6898 8.6898 9.3453 9.3453 9.4387 9.4387 k = 0.0000 0.2500-0.0000 ( 12170 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9994 -25.9994 -11.4121 -11.4121 -11.0991 -11.0991 -11.0634 -11.0634 -10.8984 -10.8984 -9.6632 -9.6632 -9.6033 -9.6033 -9.4091 -9.4091 -9.3898 -9.3898 -9.3542 -9.3542 -9.3240 -9.3240 -1.3828 -1.3828 -1.1469 -1.1469 -0.9421 -0.9421 -0.1557 -0.1557 0.2332 0.2332 0.5201 0.5201 0.6291 0.6291 1.0144 1.0144 1.3695 1.3695 1.7788 1.7788 1.8842 1.8842 1.8946 1.8946 2.0501 2.0501 2.0775 2.0775 2.6379 2.6379 2.7386 2.7386 4.6687 4.6687 6.8713 6.8713 8.0884 8.0884 8.6105 8.6105 9.3634 9.3634 9.4697 9.4697 k = 0.0000 0.2727-0.0000 ( 12190 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9994 -25.9994 -11.4110 -11.4110 -11.1000 -11.1000 -11.0582 -11.0582 -10.9045 -10.9045 -9.6608 -9.6608 -9.6054 -9.6054 -9.4063 -9.4063 -9.3888 -9.3888 -9.3557 -9.3557 -9.3271 -9.3271 -1.3680 -1.3680 -1.1566 -1.1566 -0.9212 -0.9212 -0.1648 -0.1648 0.2607 0.2607 0.5212 0.5212 0.6309 0.6309 0.9951 0.9951 1.3352 1.3352 1.7713 1.7713 1.8868 1.8868 1.8964 1.8964 2.0466 2.0466 2.0627 2.0627 2.6364 2.6364 2.7424 2.7424 4.6442 4.6442 6.9354 6.9354 8.1531 8.1531 8.5296 8.5296 9.3797 9.3797 9.5030 9.5030 k = 0.0000 0.2955-0.0000 ( 12182 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9995 -25.9995 -11.4099 -11.4099 -11.1010 -11.1010 -11.0526 -11.0526 -10.9109 -10.9109 -9.6583 -9.6583 -9.6076 -9.6076 -9.4033 -9.4033 -9.3877 -9.3877 -9.3573 -9.3573 -9.3302 -9.3302 -1.3536 -1.3536 -1.1659 -1.1659 -0.8994 -0.8994 -0.1747 -0.1747 0.2887 0.2887 0.5222 0.5222 0.6327 0.6327 0.9718 0.9718 1.3059 1.3059 1.7640 1.7640 1.8890 1.8890 1.8984 1.8984 2.0278 2.0278 2.0625 2.0625 2.6349 2.6349 2.7462 2.7462 4.6206 4.6206 7.0024 7.0024 8.2217 8.2217 8.4477 8.4477 9.3939 9.3939 9.5383 9.5383 k = 0.0000 0.3182-0.0000 ( 12176 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0000 -26.0000 -25.9995 -25.9995 -11.4088 -11.4088 -11.1018 -11.1018 -11.0468 -11.0468 -10.9176 -10.9176 -9.6557 -9.6557 -9.6099 -9.6099 -9.4002 -9.4002 -9.3865 -9.3865 -9.3590 -9.3590 -9.3335 -9.3335 -1.3398 -1.3398 -1.1744 -1.1744 -0.8771 -0.8771 -0.1847 -0.1847 0.3164 0.3164 0.5231 0.5231 0.6345 0.6345 0.9451 0.9451 1.2819 1.2819 1.7572 1.7572 1.8905 1.8905 1.9003 1.9003 2.0060 2.0060 2.0652 2.0652 2.6334 2.6334 2.7499 2.7499 4.5983 4.5983 7.0718 7.0718 8.2929 8.2929 8.3660 8.3660 9.4059 9.4059 9.5755 9.5755 k = 0.0000 0.3409-0.0000 ( 12180 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0000 -26.0000 -25.9995 -25.9995 -11.4077 -11.4077 -11.1027 -11.1027 -11.0407 -11.0407 -10.9244 -10.9244 -9.6530 -9.6530 -9.6123 -9.6123 -9.3970 -9.3970 -9.3852 -9.3852 -9.3606 -9.3606 -9.3369 -9.3369 -1.3270 -1.3270 -1.1822 -1.1822 -0.8550 -0.8550 -0.1947 -0.1947 0.3431 0.3431 0.5240 0.5240 0.6362 0.6362 0.9160 0.9160 1.2631 1.2631 1.7509 1.7509 1.8912 1.8912 1.9021 1.9021 1.9849 1.9849 2.0680 2.0680 2.6319 2.6319 2.7533 2.7533 4.5778 4.5778 7.1433 7.1433 8.2790 8.2790 8.3720 8.3720 9.4157 9.4157 9.6143 9.6143 k = 0.0000 0.3636-0.0000 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0000 -26.0000 -25.9995 -25.9995 -11.4068 -11.4068 -11.1035 -11.1035 -11.0344 -11.0344 -10.9314 -10.9314 -9.6502 -9.6502 -9.6149 -9.6149 -9.3937 -9.3937 -9.3838 -9.3838 -9.3623 -9.3623 -9.3404 -9.3404 -1.3154 -1.3154 -1.1890 -1.1890 -0.8336 -0.8336 -0.2041 -0.2041 0.3680 0.3680 0.5247 0.5247 0.6379 0.6379 0.8863 0.8863 1.2487 1.2487 1.7452 1.7452 1.8907 1.8907 1.9038 1.9038 1.9656 1.9656 2.0705 2.0705 2.6306 2.6306 2.7565 2.7565 4.5593 4.5593 7.2167 7.2167 8.1964 8.1964 8.4490 8.4490 9.4235 9.4235 9.6029 9.6029 k = 0.0000 0.3864-0.0000 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9999 -25.9999 -25.9996 -25.9996 -11.4060 -11.4060 -11.1041 -11.1041 -11.0281 -11.0281 -10.9383 -10.9383 -9.6473 -9.6473 -9.6175 -9.6175 -9.3906 -9.3906 -9.3824 -9.3824 -9.3640 -9.3640 -9.3438 -9.3438 -1.3052 -1.3052 -1.1948 -1.1948 -0.8137 -0.8137 -0.2127 -0.2127 0.3904 0.3904 0.5254 0.5254 0.6395 0.6395 0.8576 0.8576 1.2380 1.2380 1.7404 1.7404 1.8886 1.8886 1.9054 1.9054 1.9494 1.9494 2.0727 2.0727 2.6294 2.6294 2.7593 2.7593 4.5432 4.5432 7.2915 7.2915 8.1131 8.1131 8.5282 8.5282 9.4293 9.4293 9.5230 9.5230 k = 0.0000 0.4091-0.0000 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9999 -25.9999 -25.9996 -25.9996 -11.4053 -11.4053 -11.1047 -11.1047 -11.0219 -11.0219 -10.9450 -10.9450 -9.6444 -9.6444 -9.6203 -9.6203 -9.3875 -9.3875 -9.3809 -9.3809 -9.3655 -9.3655 -9.3472 -9.3472 -1.2967 -1.2967 -1.1996 -1.1996 -0.7959 -0.7959 -0.2202 -0.2202 0.4096 0.4096 0.5259 0.5259 0.6409 0.6409 0.8317 0.8317 1.2302 1.2302 1.7364 1.7364 1.8846 1.8846 1.9067 1.9067 1.9372 1.9372 2.0745 2.0745 2.6283 2.6283 2.7616 2.7616 4.5297 4.5297 7.3674 7.3674 8.0302 8.0302 8.6078 8.6078 9.4289 9.4289 9.4467 9.4467 k = 0.0000 0.4318-0.0000 ( 12196 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9999 -25.9999 -25.9996 -25.9996 -11.4047 -11.4047 -11.1052 -11.1052 -11.0160 -11.0160 -10.9513 -10.9513 -9.6415 -9.6415 -9.6231 -9.6231 -9.3847 -9.3847 -9.3794 -9.3794 -9.3669 -9.3669 -9.3504 -9.3504 -1.2901 -1.2901 -1.2032 -1.2032 -0.7811 -0.7811 -0.2263 -0.2263 0.4251 0.4251 0.5262 0.5262 0.6421 0.6421 0.8099 0.8099 1.2247 1.2247 1.7332 1.7332 1.8789 1.8789 1.9077 1.9077 1.9295 1.9295 2.0760 2.0760 2.6275 2.6275 2.7635 2.7635 4.5190 4.5190 7.4440 7.4440 7.9482 7.9482 8.6853 8.6853 9.3607 9.3607 9.4389 9.4389 k = 0.0000 0.4545-0.0000 ( 12198 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.4043 -11.4043 -11.1055 -11.1055 -11.0109 -11.0109 -10.9568 -10.9568 -9.6386 -9.6386 -9.6259 -9.6259 -9.3825 -9.3825 -9.3780 -9.3780 -9.3680 -9.3680 -9.3532 -9.3532 -1.2853 -1.2853 -1.2057 -1.2057 -0.7700 -0.7700 -0.2308 -0.2308 0.4365 0.4365 0.5265 0.5265 0.6431 0.6431 0.7936 0.7936 1.2211 1.2211 1.7310 1.7310 1.8731 1.8731 1.9084 1.9084 1.9253 1.9253 2.0770 2.0770 2.6269 2.6269 2.7649 2.7649 4.5112 4.5112 7.5201 7.5201 7.8682 7.8682 8.7561 8.7561 9.2888 9.2888 9.4407 9.4407 k = 0.0000 0.4773-0.0000 ( 12210 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.4040 -11.4040 -11.1058 -11.1058 -11.0072 -11.0072 -10.9607 -10.9607 -9.6359 -9.6359 -9.6285 -9.6285 -9.3809 -9.3809 -9.3771 -9.3771 -9.3686 -9.3686 -9.3552 -9.3552 -1.2824 -1.2824 -1.2072 -1.2072 -0.7630 -0.7630 -0.2336 -0.2336 0.4433 0.4433 0.5266 0.5266 0.6437 0.6437 0.7835 0.7835 1.2190 1.2190 1.7297 1.7297 1.8689 1.8689 1.9088 1.9088 1.9233 1.9233 2.0776 2.0776 2.6265 2.6265 2.7657 2.7657 4.5065 4.5065 7.5916 7.5916 7.7944 7.7944 8.8109 8.8109 9.2331 9.2331 9.4418 9.4418 k = 0.0000 0.5000-0.0000 ( 12194 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4039 -11.4039 -11.1058 -11.1058 -11.0058 -11.0058 -10.9621 -10.9621 -9.6343 -9.6343 -9.6301 -9.6301 -9.3803 -9.3803 -9.3768 -9.3768 -9.3688 -9.3688 -9.3560 -9.3560 -1.2815 -1.2815 -1.2076 -1.2076 -0.7607 -0.7607 -0.2345 -0.2345 0.4457 0.4457 0.5267 0.5267 0.6439 0.6439 0.7800 0.7800 1.2184 1.2184 1.7293 1.7293 1.8673 1.8673 1.9090 1.9090 1.9227 1.9227 2.0778 2.0778 2.6264 2.6264 2.7660 2.7660 4.5050 4.5050 7.6327 7.6327 7.7525 7.7525 8.8329 8.8329 9.2108 9.2108 9.4422 9.4422 k = 0.0000 0.5000-0.0000 ( 12194 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4039 -11.4039 -11.1058 -11.1058 -11.0058 -11.0058 -10.9621 -10.9621 -9.6343 -9.6343 -9.6301 -9.6301 -9.3803 -9.3803 -9.3768 -9.3768 -9.3688 -9.3688 -9.3560 -9.3560 -1.2815 -1.2815 -1.2076 -1.2076 -0.7607 -0.7607 -0.2345 -0.2345 0.4457 0.4457 0.5267 0.5267 0.6439 0.6439 0.7800 0.7800 1.2184 1.2184 1.7293 1.7293 1.8673 1.8673 1.9090 1.9090 1.9227 1.9227 2.0778 2.0778 2.6264 2.6264 2.7660 2.7660 4.5050 4.5050 7.6327 7.6327 7.7525 7.7525 8.8329 8.8329 9.2108 9.2108 9.4422 9.4422 k = 0.0227 0.5000-0.0000 ( 12194 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4039 -11.4039 -11.1057 -11.1057 -11.0059 -11.0059 -10.9623 -10.9623 -9.6343 -9.6343 -9.6302 -9.6302 -9.3810 -9.3810 -9.3762 -9.3762 -9.3691 -9.3691 -9.3555 -9.3555 -1.2803 -1.2803 -1.2086 -1.2086 -0.7601 -0.7601 -0.2322 -0.2322 0.4450 0.4450 0.5268 0.5268 0.6440 0.6440 0.7801 0.7801 1.2184 1.2184 1.7285 1.7285 1.8646 1.8646 1.9020 1.9020 1.9208 1.9208 2.0860 2.0860 2.6267 2.6267 2.7661 2.7661 4.5016 4.5016 7.6354 7.6354 7.7557 7.7557 8.8347 8.8347 9.2114 9.2114 9.4354 9.4354 k = 0.0455 0.5000-0.0000 ( 12210 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4037 -11.4037 -11.1052 -11.1052 -11.0060 -11.0060 -10.9628 -10.9628 -9.6345 -9.6345 -9.6303 -9.6303 -9.3825 -9.3825 -9.3752 -9.3752 -9.3698 -9.3698 -9.3543 -9.3543 -1.2767 -1.2767 -1.2116 -1.2116 -0.7582 -0.7582 -0.2252 -0.2252 0.4432 0.4432 0.5272 0.5272 0.6443 0.6443 0.7805 0.7805 1.2185 1.2185 1.7259 1.7259 1.8533 1.8533 1.8841 1.8841 1.9198 1.9198 2.1058 2.1058 2.6278 2.6278 2.7665 2.7665 4.4917 4.4917 7.6432 7.6432 7.7650 7.7650 8.8401 8.8401 9.2130 9.2130 9.4162 9.4162 k = 0.0682 0.5000-0.0000 ( 12218 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4034 -11.4034 -11.1044 -11.1044 -11.0062 -11.0062 -10.9636 -10.9636 -9.6347 -9.6347 -9.6306 -9.6306 -9.3841 -9.3841 -9.3751 -9.3751 -9.3699 -9.3699 -9.3526 -9.3526 -1.2709 -1.2709 -1.2162 -1.2162 -0.7552 -0.7552 -0.2139 -0.2139 0.4401 0.4401 0.5278 0.5278 0.6448 0.6448 0.7810 0.7810 1.2186 1.2186 1.7214 1.7214 1.8257 1.8257 1.8698 1.8698 1.9200 1.9200 2.1307 2.1307 2.6295 2.6295 2.7671 2.7671 4.4755 4.4755 7.6561 7.6561 7.7804 7.7804 8.8488 8.8488 9.2155 9.2155 9.3881 9.3881 k = 0.0909 0.5000-0.0000 ( 12214 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4029 -11.4029 -11.1033 -11.1033 -11.0064 -11.0064 -10.9648 -10.9648 -9.6349 -9.6349 -9.6311 -9.6311 -9.3858 -9.3858 -9.3762 -9.3762 -9.3689 -9.3689 -9.3507 -9.3507 -1.2635 -1.2635 -1.2218 -1.2218 -0.7510 -0.7510 -0.1985 -0.1985 0.4360 0.4360 0.5286 0.5286 0.6454 0.6454 0.7817 0.7817 1.2187 1.2187 1.7142 1.7142 1.7877 1.7877 1.8590 1.8590 1.9207 1.9207 2.1569 2.1569 2.6318 2.6318 2.7679 2.7679 4.4535 4.4535 7.6740 7.6740 7.8013 7.8013 8.8604 8.8604 9.2185 9.2185 9.3545 9.3545 k = 0.1136 0.5000-0.0000 ( 12210 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4024 -11.4024 -11.1018 -11.1018 -11.0067 -11.0067 -10.9663 -10.9663 -9.6353 -9.6353 -9.6316 -9.6316 -9.3874 -9.3874 -9.3781 -9.3781 -9.3674 -9.3674 -9.3486 -9.3486 -1.2563 -1.2563 -1.2264 -1.2264 -0.7455 -0.7455 -0.1793 -0.1793 0.4308 0.4308 0.5296 0.5296 0.6462 0.6462 0.7825 0.7825 1.2187 1.2187 1.7006 1.7006 1.7495 1.7495 1.8477 1.8477 1.9217 1.9217 2.1824 2.1824 2.6345 2.6345 2.7691 2.7691 4.4264 4.4264 7.6964 7.6964 7.8272 7.8272 8.8741 8.8741 9.2211 9.2211 9.3185 9.3185 k = 0.1364 0.5000-0.0000 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4018 -11.4018 -11.1001 -11.1001 -11.0071 -11.0071 -10.9680 -10.9680 -9.6357 -9.6357 -9.6322 -9.6322 -9.3890 -9.3890 -9.3801 -9.3801 -9.3656 -9.3656 -9.3466 -9.3466 -1.2546 -1.2546 -1.2245 -1.2245 -0.7389 -0.7389 -0.1569 -0.1569 0.4248 0.4248 0.5308 0.5308 0.6472 0.6472 0.7833 0.7833 1.2187 1.2187 1.6706 1.6706 1.7236 1.7236 1.8348 1.8348 1.9230 1.9230 2.2066 2.2066 2.6376 2.6376 2.7705 2.7705 4.3949 4.3949 7.7230 7.7230 7.8575 7.8575 8.8888 8.8888 9.2224 9.2224 9.2828 9.2828 k = 0.1591 0.5000-0.0000 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4011 -11.4011 -11.0981 -11.0981 -11.0075 -11.0075 -10.9701 -10.9701 -9.6362 -9.6362 -9.6329 -9.6329 -9.3905 -9.3905 -9.3822 -9.3822 -9.3639 -9.3639 -9.3446 -9.3446 -1.2607 -1.2607 -1.2139 -1.2139 -0.7311 -0.7311 -0.1318 -0.1318 0.4182 0.4182 0.5321 0.5321 0.6484 0.6484 0.7840 0.7840 1.2185 1.2185 1.6260 1.6260 1.7098 1.7098 1.8202 1.8202 1.9244 1.9244 2.2292 2.2292 2.6409 2.6409 2.7723 2.7723 4.3598 4.3598 7.7536 7.7536 7.8916 7.8916 8.9027 8.9027 9.2200 9.2200 9.2510 9.2510 k = 0.1818 0.5000-0.0000 ( 12190 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4003 -11.4003 -11.0958 -11.0958 -11.0079 -11.0079 -10.9725 -10.9725 -9.6367 -9.6367 -9.6337 -9.6337 -9.3919 -9.3919 -9.3843 -9.3843 -9.3621 -9.3621 -9.3426 -9.3426 -1.2703 -1.2703 -1.1987 -1.1987 -0.7223 -0.7223 -0.1045 -0.1045 0.4111 0.4111 0.5336 0.5336 0.6497 0.6497 0.7844 0.7844 1.2181 1.2181 1.5766 1.5766 1.6994 1.6994 1.8038 1.8038 1.9259 1.9259 2.2499 2.2499 2.6442 2.6442 2.7744 2.7744 4.3220 4.3220 7.7876 7.7876 7.9287 7.9287 8.9132 8.9132 9.2088 9.2088 9.2295 9.2295 k = 0.2045 0.5000-0.0000 ( 12190 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3994 -11.3994 -11.0933 -11.0933 -11.0084 -11.0084 -10.9751 -10.9751 -9.6373 -9.6373 -9.6345 -9.6345 -9.3932 -9.3932 -9.3863 -9.3863 -9.3604 -9.3604 -9.3408 -9.3408 -1.2812 -1.2812 -1.1813 -1.1813 -0.7123 -0.7123 -0.0757 -0.0757 0.4038 0.4038 0.5351 0.5351 0.6511 0.6511 0.7845 0.7845 1.2171 1.2171 1.5262 1.5262 1.6898 1.6898 1.7859 1.7859 1.9276 1.9276 2.2689 2.2689 2.6475 2.6475 2.7768 2.7768 4.2824 4.2824 7.8247 7.8247 7.9683 7.9683 8.9165 8.9165 9.1926 9.1926 9.2163 9.2163 k = 0.2273 0.5000-0.0000 ( 12188 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3986 -11.3986 -11.0905 -11.0905 -11.0090 -11.0090 -10.9779 -10.9779 -9.6379 -9.6379 -9.6354 -9.6354 -9.3945 -9.3945 -9.3882 -9.3882 -9.3587 -9.3587 -9.3390 -9.3390 -1.2925 -1.2925 -1.1624 -1.1624 -0.7014 -0.7014 -0.0460 -0.0460 0.3966 0.3966 0.5366 0.5366 0.6526 0.6526 0.7840 0.7840 1.2153 1.2153 1.4765 1.4765 1.6803 1.6803 1.7667 1.7667 1.9292 1.9292 2.2861 2.2861 2.6507 2.6507 2.7794 2.7794 4.2418 4.2418 7.8644 7.8644 8.0096 8.0096 8.9093 8.9093 9.1807 9.1807 9.2038 9.2038 k = 0.2500 0.5000-0.0000 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3977 -11.3977 -11.0876 -11.0876 -11.0095 -11.0095 -10.9810 -10.9810 -9.6385 -9.6385 -9.6363 -9.6363 -9.3957 -9.3957 -9.3901 -9.3901 -9.3571 -9.3571 -9.3373 -9.3373 -1.3037 -1.3037 -1.1428 -1.1428 -0.6896 -0.6896 -0.0161 -0.0161 0.3899 0.3899 0.5382 0.5382 0.6542 0.6542 0.7828 0.7828 1.2122 1.2122 1.4291 1.4291 1.6708 1.6708 1.7466 1.7466 1.9309 1.9309 2.3015 2.3015 2.6536 2.6536 2.7823 2.7823 4.2010 4.2010 7.9063 7.9063 8.0520 8.0520 8.8909 8.8909 9.1641 9.1641 9.2022 9.2022 k = 0.2727 0.5000-0.0000 ( 12206 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3968 -11.3968 -11.0844 -11.0844 -11.0101 -11.0101 -10.9842 -10.9842 -9.6391 -9.6391 -9.6371 -9.6371 -9.3967 -9.3967 -9.3918 -9.3918 -9.3557 -9.3557 -9.3358 -9.3358 -1.3147 -1.3147 -1.1228 -1.1228 -0.6769 -0.6769 0.0133 0.0133 0.3839 0.3839 0.5397 0.5397 0.6558 0.6558 0.7805 0.7805 1.2070 1.2070 1.3858 1.3858 1.6614 1.6614 1.7258 1.7258 1.9325 1.9325 2.3153 2.3153 2.6563 2.6563 2.7853 2.7853 4.1610 4.1610 7.9500 7.9500 8.0949 8.0949 8.8630 8.8630 9.1382 9.1382 9.2152 9.2152 k = 0.2955 0.5000-0.0000 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3959 -11.3959 -11.0811 -11.0811 -11.0107 -11.0107 -10.9875 -10.9875 -9.6397 -9.6397 -9.6380 -9.6380 -9.3977 -9.3977 -9.3933 -9.3933 -9.3543 -9.3543 -9.3344 -9.3344 -1.3251 -1.3251 -1.1030 -1.1030 -0.6636 -0.6636 0.0412 0.0412 0.3792 0.3792 0.5412 0.5412 0.6575 0.6575 0.7770 0.7770 1.1985 1.1985 1.3486 1.3486 1.6519 1.6519 1.7050 1.7050 1.9341 1.9341 2.3276 2.3276 2.6586 2.6586 2.7884 2.7884 4.1224 4.1224 7.9952 7.9952 8.1377 8.1377 8.8285 8.8285 9.1080 9.1080 9.2362 9.2362 k = 0.3182 0.5000-0.0000 ( 12196 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3950 -11.3950 -11.0776 -11.0776 -11.0113 -11.0113 -10.9909 -10.9909 -9.6403 -9.6403 -9.6387 -9.6387 -9.3986 -9.3986 -9.3948 -9.3948 -9.3530 -9.3530 -9.3331 -9.3331 -1.3349 -1.3349 -1.0837 -1.0837 -0.6499 -0.6499 0.0671 0.0671 0.3760 0.3760 0.5425 0.5425 0.6592 0.6592 0.7722 0.7722 1.1856 1.1856 1.3194 1.3194 1.6421 1.6421 1.6849 1.6849 1.9355 1.9355 2.3384 2.3384 2.6607 2.6607 2.7916 2.7916 4.0860 4.0860 8.0414 8.0414 8.1799 8.1799 8.7899 8.7899 9.0762 9.0762 9.2608 9.2608 k = 0.3409 0.5000-0.0000 ( 12210 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3942 -11.3942 -11.0742 -11.0742 -11.0120 -11.0120 -10.9943 -10.9943 -9.6409 -9.6409 -9.6394 -9.6394 -9.3994 -9.3994 -9.3960 -9.3960 -9.3519 -9.3519 -9.3320 -9.3320 -1.3438 -1.3438 -1.0656 -1.0656 -0.6362 -0.6362 0.0900 0.0900 0.3746 0.3746 0.5438 0.5438 0.6608 0.6608 0.7659 0.7659 1.1683 1.1683 1.2991 1.2991 1.6318 1.6318 1.6665 1.6665 1.9369 1.9369 2.3477 2.3477 2.6624 2.6624 2.7946 2.7946 4.0523 4.0523 8.0885 8.0885 8.2208 8.2208 8.7486 8.7486 9.0441 9.0441 9.2865 9.2865 k = 0.3636 0.5000-0.0000 ( 12218 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3935 -11.3935 -11.0707 -11.0707 -11.0127 -11.0127 -10.9976 -10.9976 -9.6415 -9.6415 -9.6400 -9.6400 -9.4000 -9.4000 -9.3972 -9.3972 -9.3508 -9.3508 -9.3310 -9.3310 -1.3517 -1.3517 -1.0490 -1.0490 -0.6227 -0.6227 0.1095 0.1095 0.3753 0.3753 0.5448 0.5448 0.6624 0.6624 0.7583 0.7583 1.1484 1.1484 1.2864 1.2864 1.6200 1.6200 1.6513 1.6513 1.9381 1.9381 2.3556 2.3556 2.6638 2.6638 2.7974 2.7974 4.0220 4.0220 8.1361 8.1361 8.2597 8.2597 8.7056 8.7056 9.0129 9.0129 9.3113 9.3113 k = 0.3864 0.5000-0.0000 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3929 -11.3929 -11.0672 -11.0672 -11.0134 -11.0134 -11.0007 -11.0007 -9.6421 -9.6421 -9.6406 -9.6406 -9.4006 -9.4006 -9.3981 -9.3981 -9.3500 -9.3500 -9.3301 -9.3301 -1.3585 -1.3585 -1.0343 -1.0343 -0.6099 -0.6099 0.1251 0.1251 0.3777 0.3777 0.5458 0.5458 0.6639 0.6639 0.7498 0.7498 1.1289 1.1289 1.2787 1.2787 1.6069 1.6069 1.6399 1.6399 1.9392 1.9392 2.3623 2.3623 2.6650 2.6650 2.8000 2.8000 3.9955 3.9955 8.1839 8.1839 8.2959 8.2959 8.6615 8.6615 8.9835 8.9835 9.3336 9.3336 k = 0.4091 0.5000-0.0000 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3923 -11.3923 -11.0640 -11.0640 -11.0144 -11.0144 -11.0034 -11.0034 -9.6426 -9.6426 -9.6410 -9.6410 -9.4011 -9.4011 -9.3989 -9.3989 -9.3492 -9.3492 -9.3294 -9.3294 -1.3642 -1.3642 -1.0217 -1.0217 -0.5983 -0.5983 0.1370 0.1370 0.3813 0.3813 0.5465 0.5465 0.6653 0.6653 0.7410 0.7410 1.1117 1.1117 1.2742 1.2742 1.5936 1.5936 1.6319 1.6319 1.9401 1.9401 2.3676 2.3676 2.6659 2.6659 2.8022 2.8022 3.9733 3.9733 8.2317 8.2317 8.3282 8.3282 8.6168 8.6168 8.9567 8.9567 9.3523 9.3523 k = 0.4318 0.5000-0.0000 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3919 -11.3919 -11.0612 -11.0612 -11.0154 -11.0154 -11.0055 -11.0055 -9.6430 -9.6430 -9.6413 -9.6413 -9.4015 -9.4015 -9.3995 -9.3995 -9.3487 -9.3487 -9.3289 -9.3289 -1.3686 -1.3686 -1.0117 -1.0117 -0.5886 -0.5886 0.1455 0.1455 0.3855 0.3855 0.5471 0.5471 0.6666 0.6666 0.7328 0.7328 1.0980 1.0980 1.2715 1.2715 1.5818 1.5818 1.6263 1.6263 1.9408 1.9408 2.3718 2.3718 2.6666 2.6666 2.8040 2.8040 3.9556 3.9556 8.2792 8.2792 8.3556 8.3556 8.5717 8.5717 8.9338 8.9338 9.3661 9.3661 k = 0.4545 0.5000-0.0000 ( 12210 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3915 -11.3915 -11.0589 -11.0589 -11.0165 -11.0165 -11.0070 -11.0070 -9.6433 -9.6433 -9.6415 -9.6415 -9.4017 -9.4017 -9.4000 -9.4000 -9.3483 -9.3483 -9.3285 -9.3285 -1.3719 -1.3719 -1.0044 -1.0044 -0.5812 -0.5812 0.1510 0.1510 0.3892 0.3892 0.5475 0.5475 0.6676 0.6676 0.7261 0.7261 1.0883 1.0883 1.2700 1.2700 1.5726 1.5726 1.6225 1.6225 1.9412 1.9412 2.3747 2.3747 2.6671 2.6671 2.8053 2.8053 3.9428 3.9428 8.3257 8.3257 8.3767 8.3767 8.5269 8.5269 8.9160 8.9160 9.3750 9.3750 k = 0.4773 0.5000-0.0000 ( 12194 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3913 -11.3913 -11.0573 -11.0573 -11.0173 -11.0173 -11.0078 -11.0078 -9.6435 -9.6435 -9.6416 -9.6416 -9.4019 -9.4019 -9.4002 -9.4002 -9.3480 -9.3480 -9.3283 -9.3283 -1.3739 -1.3739 -1.0000 -1.0000 -0.5765 -0.5765 0.1541 0.1541 0.3918 0.3918 0.5477 0.5477 0.6683 0.6683 0.7216 0.7216 1.0824 1.0824 1.2692 1.2692 1.5669 1.5669 1.6203 1.6203 1.9416 1.9416 2.3765 2.3765 2.6673 2.6673 2.8061 2.8061 3.9350 3.9350 8.3691 8.3691 8.3902 8.3902 8.4845 8.4845 8.9046 8.9046 9.3796 9.3796 k = 0.5000 0.5000-0.0000 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3913 -11.3913 -11.0568 -11.0568 -11.0177 -11.0177 -11.0080 -11.0080 -9.6436 -9.6436 -9.6417 -9.6417 -9.4019 -9.4019 -9.4003 -9.4003 -9.3479 -9.3479 -9.3282 -9.3282 -1.3745 -1.3745 -0.9985 -0.9985 -0.5749 -0.5749 0.1551 0.1551 0.3927 0.3927 0.5478 0.5478 0.6685 0.6685 0.7200 0.7200 1.0805 1.0805 1.2689 1.2689 1.5649 1.5649 1.6196 1.6196 1.9417 1.9417 2.3770 2.3770 2.6674 2.6674 2.8064 2.8064 3.9325 3.9325 8.3923 8.3923 8.3969 8.3969 8.4595 8.4595 8.9006 8.9006 9.3811 9.3811 k = 0.5000 0.5000-0.0000 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3913 -11.3913 -11.0568 -11.0568 -11.0177 -11.0177 -11.0080 -11.0080 -9.6436 -9.6436 -9.6417 -9.6417 -9.4019 -9.4019 -9.4003 -9.4003 -9.3479 -9.3479 -9.3282 -9.3282 -1.3745 -1.3745 -0.9985 -0.9985 -0.5749 -0.5749 0.1551 0.1551 0.3927 0.3927 0.5478 0.5478 0.6685 0.6685 0.7200 0.7200 1.0805 1.0805 1.2689 1.2689 1.5649 1.5649 1.6196 1.6196 1.9417 1.9417 2.3770 2.3770 2.6674 2.6674 2.8064 2.8064 3.9325 3.9325 8.3923 8.3923 8.3969 8.3969 8.4595 8.4595 8.9006 8.9006 9.3811 9.3811 k = 0.4833 0.4833-0.0000 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3913 -11.3913 -11.0574 -11.0574 -11.0173 -11.0173 -11.0077 -11.0077 -9.6435 -9.6435 -9.6416 -9.6416 -9.4019 -9.4019 -9.4002 -9.4002 -9.3480 -9.3480 -9.3283 -9.3283 -1.3738 -1.3738 -1.0001 -1.0001 -0.5766 -0.5766 0.1541 0.1541 0.3917 0.3917 0.5477 0.5477 0.6683 0.6683 0.7217 0.7217 1.0826 1.0826 1.2692 1.2692 1.5670 1.5670 1.6204 1.6204 1.9416 1.9416 2.3764 2.3764 2.6673 2.6673 2.8061 2.8061 3.9352 3.9352 8.3625 8.3625 8.3965 8.3965 8.4843 8.4843 8.9048 8.9048 9.3792 9.3792 k = 0.4667 0.4667-0.0000 ( 12206 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.3916 -11.3916 -11.0590 -11.0590 -11.0168 -11.0168 -11.0066 -11.0066 -9.6434 -9.6434 -9.6414 -9.6414 -9.4018 -9.4018 -9.3999 -9.3999 -9.3483 -9.3483 -9.3285 -9.3285 -1.3717 -1.3717 -1.0049 -1.0049 -0.5817 -0.5817 0.1509 0.1509 0.3887 0.3887 0.5474 0.5474 0.6675 0.6675 0.7268 0.7268 1.0888 1.0888 1.2700 1.2700 1.5733 1.5733 1.6228 1.6228 1.9412 1.9412 2.3745 2.3745 2.6670 2.6670 2.8052 2.8052 3.9436 3.9436 8.3053 8.3053 8.4019 8.4019 8.5207 8.5207 8.9169 8.9169 9.3698 9.3698 k = 0.4500 0.4500-0.0000 ( 12198 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.3919 -11.3919 -11.0613 -11.0613 -11.0168 -11.0168 -11.0040 -11.0040 -9.6435 -9.6435 -9.6407 -9.6407 -9.4017 -9.4017 -9.3992 -9.3992 -9.3488 -9.3488 -9.3289 -9.3289 -1.3682 -1.3682 -1.0127 -1.0127 -0.5901 -0.5901 0.1458 0.1458 0.3838 0.3838 0.5470 0.5470 0.6663 0.6663 0.7350 0.7350 1.0990 1.0990 1.2713 1.2713 1.5832 1.5832 1.6270 1.6270 1.9407 1.9407 2.3714 2.3714 2.6666 2.6666 2.8038 2.8038 3.9574 3.9574 8.2395 8.2395 8.4110 8.4110 8.5530 8.5530 8.9350 8.9350 9.3485 9.3485 k = 0.4333 0.4333-0.0000 ( 12218 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.3924 -11.3924 -11.0640 -11.0640 -11.0177 -11.0177 -11.0001 -11.0001 -9.6438 -9.6438 -9.6396 -9.6396 -9.4017 -9.4017 -9.3981 -9.3981 -9.3495 -9.3495 -9.3293 -9.3293 -1.3634 -1.3634 -1.0235 -1.0235 -0.6015 -0.6015 0.1388 0.1388 0.3769 0.3769 0.5464 0.5464 0.6649 0.6649 0.7462 0.7462 1.1131 1.1131 1.2733 1.2733 1.5961 1.5961 1.6336 1.6336 1.9399 1.9399 2.3670 2.3670 2.6659 2.6659 2.8018 2.8018 3.9764 3.9764 8.1680 8.1680 8.4236 8.4236 8.5806 8.5806 8.9563 8.9563 9.3177 9.3177 k = 0.4167 0.4167-0.0000 ( 12210 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.3930 -11.3930 -11.0669 -11.0669 -11.0193 -11.0193 -10.9951 -10.9951 -9.6443 -9.6443 -9.6382 -9.6382 -9.4019 -9.4019 -9.3967 -9.3967 -9.3505 -9.3505 -9.3298 -9.3298 -1.3572 -1.3572 -1.0370 -1.0370 -0.6158 -0.6158 0.1300 0.1300 0.3683 0.3683 0.5456 0.5456 0.6632 0.6632 0.7602 0.7602 1.1308 1.1308 1.2760 1.2760 1.6102 1.6102 1.6439 1.6439 1.9389 1.9389 2.3614 2.3614 2.6650 2.6650 2.7993 2.7993 4.0004 4.0004 8.0920 8.0920 8.4396 8.4396 8.6042 8.6042 8.9763 8.9763 9.2819 9.2819 k = 0.4000 0.4000-0.0000 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.3938 -11.3938 -11.0698 -11.0698 -11.0214 -11.0214 -10.9894 -10.9894 -9.6450 -9.6450 -9.6364 -9.6364 -9.4020 -9.4020 -9.3949 -9.3949 -9.3519 -9.3519 -9.3302 -9.3302 -1.3497 -1.3497 -1.0530 -1.0530 -0.6326 -0.6326 0.1197 0.1197 0.3582 0.3582 0.5447 0.5447 0.6613 0.6613 0.7767 0.7767 1.1520 1.1520 1.2795 1.2795 1.6234 1.6234 1.6594 1.6594 1.9378 1.9378 2.3545 2.3545 2.6640 2.6640 2.7963 2.7963 4.0291 4.0291 8.0125 8.0125 8.4591 8.4591 8.6249 8.6249 8.9886 8.9886 9.2478 9.2478 k = 0.3833 0.3833-0.0000 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.3947 -11.3947 -11.0726 -11.0726 -11.0241 -11.0241 -10.9832 -10.9832 -9.6458 -9.6458 -9.6344 -9.6344 -9.4023 -9.4023 -9.3929 -9.3929 -9.3535 -9.3535 -9.3305 -9.3305 -1.3410 -1.3410 -1.0712 -1.0712 -0.6517 -0.6517 0.1081 0.1081 0.3466 0.3466 0.5436 0.5436 0.6593 0.6593 0.7953 0.7953 1.1762 1.1762 1.2840 1.2840 1.6348 1.6348 1.6807 1.6807 1.9364 1.9364 2.3465 2.3465 2.6629 2.6629 2.7930 2.7930 4.0620 4.0620 7.9302 7.9302 8.4818 8.4818 8.6432 8.6432 8.9842 8.9842 9.2249 9.2249 k = 0.3667 0.3667-0.0000 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9997 -25.9997 -11.3957 -11.3957 -11.0753 -11.0753 -11.0271 -11.0271 -10.9766 -10.9766 -9.6468 -9.6468 -9.6321 -9.6321 -9.4025 -9.4025 -9.3905 -9.3905 -9.3556 -9.3556 -9.3306 -9.3306 -1.3312 -1.3312 -1.0913 -1.0913 -0.6727 -0.6727 0.0953 0.0953 0.3339 0.3339 0.5423 0.5423 0.6571 0.6571 0.8158 0.8158 1.2031 1.2031 1.2898 1.2898 1.6452 1.6452 1.7063 1.7063 1.9348 1.9348 2.3372 2.3372 2.6616 2.6616 2.7892 2.7892 4.0987 4.0987 7.8456 7.8456 8.5076 8.5076 8.6593 8.6593 8.9569 8.9569 9.2205 9.2205 k = 0.3500 0.3500-0.0000 ( 12206 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9999 -25.9999 -25.9997 -25.9997 -11.3968 -11.3968 -11.0778 -11.0778 -11.0304 -11.0304 -10.9698 -10.9698 -9.6479 -9.6479 -9.6297 -9.6297 -9.4029 -9.4029 -9.3880 -9.3880 -9.3579 -9.3579 -9.3306 -9.3306 -1.3203 -1.3203 -1.1129 -1.1129 -0.6952 -0.6952 0.0816 0.0816 0.3202 0.3202 0.5408 0.5408 0.6548 0.6548 0.8375 0.8375 1.2320 1.2320 1.2975 1.2975 1.6556 1.6556 1.7349 1.7349 1.9331 1.9331 2.3267 2.3267 2.6603 2.6603 2.7851 2.7851 4.1387 4.1387 7.7594 7.7594 8.5363 8.5363 8.6717 8.6717 8.9120 8.9120 9.2320 9.2320 k = 0.3333 0.3333-0.0000 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9999 -25.9999 -25.9996 -25.9996 -11.3980 -11.3980 -11.0801 -11.0801 -11.0340 -11.0340 -10.9628 -10.9628 -9.6491 -9.6491 -9.6271 -9.6271 -9.4033 -9.4033 -9.3852 -9.3852 -9.3606 -9.3606 -9.3304 -9.3304 -1.3085 -1.3085 -1.1358 -1.1358 -0.7190 -0.7190 0.0672 0.0672 0.3057 0.3057 0.5392 0.5392 0.6524 0.6524 0.8602 0.8602 1.2614 1.2614 1.3085 1.3085 1.6661 1.6661 1.7656 1.7656 1.9313 1.9313 2.3150 2.3150 2.6588 2.6588 2.7808 2.7808 4.1815 4.1815 7.6720 7.6720 8.5678 8.5678 8.6756 8.6756 8.8624 8.8624 9.2522 9.2522 k = 0.3167 0.3167-0.0000 ( 12194 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9999 -25.9999 -25.9996 -25.9996 -11.3993 -11.3993 -11.0822 -11.0822 -11.0378 -11.0378 -10.9557 -10.9557 -9.6505 -9.6505 -9.6245 -9.6245 -9.4037 -9.4037 -9.3822 -9.3822 -9.3635 -9.3635 -9.3300 -9.3300 -1.2960 -1.2960 -1.1595 -1.1595 -0.7436 -0.7436 0.0522 0.0522 0.2907 0.2907 0.5375 0.5375 0.6500 0.6500 0.8832 0.8832 1.2878 1.2878 1.3261 1.3261 1.6771 1.6771 1.7976 1.7976 1.9293 1.9293 2.3021 2.3021 2.6574 2.6574 2.7763 2.7763 4.2267 4.2267 7.5840 7.5840 8.6018 8.6018 8.6597 8.6597 8.8259 8.8259 9.2759 9.2759 k = 0.3000 0.3000-0.0000 ( 12190 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9999 -25.9999 -25.9996 -25.9996 -11.4006 -11.4006 -11.0840 -11.0840 -11.0418 -11.0418 -10.9485 -10.9485 -9.6519 -9.6519 -9.6218 -9.6218 -9.4043 -9.4043 -9.3791 -9.3791 -9.3665 -9.3665 -9.3295 -9.3295 -1.2830 -1.2830 -1.1834 -1.1834 -0.7688 -0.7688 0.0370 0.0370 0.2754 0.2754 0.5357 0.5357 0.6474 0.6474 0.9061 0.9061 1.3078 1.3078 1.3536 1.3536 1.6885 1.6885 1.8304 1.8304 1.9271 1.9271 2.2882 2.2882 2.6558 2.6558 2.7716 2.7716 4.2736 4.2736 7.4959 7.4959 8.6145 8.6145 8.6382 8.6382 8.8152 8.8152 9.3006 9.3006 k = 0.2833 0.2833-0.0000 ( 12188 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0000 -26.0000 -25.9996 -25.9996 -11.4021 -11.4021 -11.0857 -11.0857 -11.0458 -11.0458 -10.9412 -10.9412 -9.6534 -9.6534 -9.6191 -9.6191 -9.4049 -9.4049 -9.3760 -9.3760 -9.3696 -9.3696 -9.3287 -9.3287 -1.2706 -1.2706 -1.2065 -1.2065 -0.7943 -0.7943 0.0217 0.0217 0.2599 0.2599 0.5338 0.5338 0.6449 0.6449 0.9283 0.9283 1.3243 1.3243 1.3881 1.3881 1.7003 1.7003 1.8636 1.8636 1.9249 1.9249 2.2732 2.2732 2.6543 2.6543 2.7668 2.7668 4.3217 4.3217 7.4082 7.4082 8.5497 8.5497 8.6764 8.6764 8.8234 8.8234 9.3247 9.3247 k = 0.2667 0.2667-0.0000 ( 12198 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0000 -26.0000 -25.9995 -25.9995 -11.4035 -11.4035 -11.0871 -11.0871 -11.0500 -11.0500 -10.9340 -10.9340 -9.6551 -9.6551 -9.6164 -9.6164 -9.4056 -9.4056 -9.3736 -9.3736 -9.3719 -9.3719 -9.3278 -9.3278 -1.2628 -1.2628 -1.2246 -1.2246 -0.8197 -0.8197 0.0064 0.0064 0.2444 0.2444 0.5318 0.5318 0.6424 0.6424 0.9494 0.9494 1.3408 1.3408 1.4259 1.4259 1.7123 1.7123 1.8966 1.8966 1.9227 1.9227 2.2571 2.2571 2.6528 2.6528 2.7620 2.7620 4.3703 4.3703 7.3214 7.3214 8.4765 8.4765 8.7162 8.7162 8.8406 8.8406 9.3472 9.3472 k = 0.2500 0.2500-0.0000 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0000 -26.0000 -25.9995 -25.9995 -11.4050 -11.4050 -11.0883 -11.0883 -11.0542 -11.0542 -10.9269 -10.9269 -9.6568 -9.6568 -9.6137 -9.6137 -9.4065 -9.4065 -9.3762 -9.3762 -9.3693 -9.3693 -9.3268 -9.3268 -1.2717 -1.2717 -1.2254 -1.2254 -0.8448 -0.8448 -0.0087 -0.0087 0.2290 0.2290 0.5299 0.5299 0.6399 0.6399 0.9690 0.9690 1.3588 1.3588 1.4652 1.4652 1.7246 1.7246 1.9193 1.9193 1.9303 1.9303 2.2401 2.2401 2.6514 2.6514 2.7572 2.7572 4.4190 4.4190 7.2361 7.2361 8.4007 8.4007 8.7574 8.7574 8.8622 8.8622 9.3674 9.3674 k = 0.2333 0.2333-0.0000 ( 12184 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0000 -26.0000 -25.9995 -25.9995 -11.4066 -11.4066 -11.0893 -11.0893 -11.0583 -11.0583 -10.9199 -10.9199 -9.6586 -9.6586 -9.6112 -9.6112 -9.4075 -9.4075 -9.3791 -9.3791 -9.3662 -9.3662 -9.3256 -9.3256 -1.2922 -1.2922 -1.2138 -1.2138 -0.8694 -0.8694 -0.0235 -0.0235 0.2140 0.2140 0.5280 0.5280 0.6374 0.6374 0.9867 0.9867 1.3787 1.3787 1.5052 1.5052 1.7369 1.7369 1.9173 1.9173 1.9617 1.9617 2.2222 2.2222 2.6501 2.6501 2.7524 2.7524 4.4672 4.4672 7.1526 7.1526 8.3250 8.3250 8.7995 8.7995 8.8863 8.8863 9.3847 9.3847 k = 0.2167 0.2167-0.0000 ( 12180 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9995 -25.9995 -11.4081 -11.4081 -11.0901 -11.0901 -11.0624 -11.0624 -10.9131 -10.9131 -9.6604 -9.6604 -9.6087 -9.6087 -9.4087 -9.4087 -9.3819 -9.3819 -9.3632 -9.3632 -9.3242 -9.3242 -1.3149 -1.3149 -1.1992 -1.1992 -0.8932 -0.8932 -0.0379 -0.0379 0.1994 0.1994 0.5261 0.5261 0.6350 0.6350 1.0025 1.0025 1.4008 1.4008 1.5453 1.5453 1.7492 1.7492 1.9149 1.9149 1.9923 1.9923 2.2036 2.2036 2.6489 2.6489 2.7478 2.7478 4.5143 4.5143 7.0716 7.0716 8.2510 8.2510 8.8421 8.8421 8.9121 8.9121 9.3982 9.3982 k = 0.2000 0.2000-0.0000 ( 12178 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9994 -25.9994 -11.4096 -11.4096 -11.0908 -11.0908 -11.0663 -11.0663 -10.9065 -10.9065 -9.6622 -9.6622 -9.6064 -9.6064 -9.4101 -9.4101 -9.3844 -9.3844 -9.3603 -9.3603 -9.3227 -9.3227 -1.3375 -1.3375 -1.1840 -1.1840 -0.9160 -0.9160 -0.0518 -0.0518 0.1853 0.1853 0.5242 0.5242 0.6327 0.6327 1.0162 1.0162 1.4250 1.4250 1.5850 1.5850 1.7615 1.7615 1.9123 1.9123 2.0214 2.0214 2.1846 2.1846 2.6478 2.6478 2.7433 2.7433 4.5599 4.5599 6.9937 6.9937 8.1797 8.1797 8.8846 8.8846 8.9391 8.9391 9.4070 9.4070 k = 0.1833 0.1833-0.0000 ( 12182 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9994 -25.9994 -11.4110 -11.4110 -11.0914 -11.0914 -11.0702 -11.0702 -10.9002 -10.9002 -9.6641 -9.6641 -9.6042 -9.6042 -9.4116 -9.4116 -9.3866 -9.3866 -9.3577 -9.3577 -9.3210 -9.3210 -1.3593 -1.3593 -1.1687 -1.1687 -0.9376 -0.9376 -0.0650 -0.0650 0.1718 0.1718 0.5225 0.5225 0.6306 0.6306 1.0280 1.0280 1.4510 1.4510 1.6235 1.6235 1.7735 1.7735 1.9097 1.9097 2.0484 2.0484 2.1654 2.1654 2.6469 2.6469 2.7391 2.7391 4.6034 4.6034 6.9194 6.9194 8.1120 8.1120 8.9266 8.9266 8.9668 8.9668 9.4102 9.4102 k = 0.1667 0.1667-0.0000 ( 12186 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9994 -25.9994 -11.4124 -11.4124 -11.0918 -11.0918 -11.0738 -11.0738 -10.8942 -10.8942 -9.6659 -9.6659 -9.6022 -9.6022 -9.4133 -9.4133 -9.3885 -9.3885 -9.3553 -9.3553 -9.3193 -9.3193 -1.3800 -1.3800 -1.1538 -1.1538 -0.9577 -0.9577 -0.0775 -0.0775 0.1592 0.1592 0.5208 0.5208 0.6285 0.6285 1.0379 1.0379 1.4786 1.4786 1.6605 1.6605 1.7853 1.7853 1.9071 1.9071 2.0720 2.0720 2.1474 2.1474 2.6461 2.6461 2.7350 2.7350 4.6444 4.6444 6.8491 6.8491 8.0485 8.0485 8.9675 8.9675 8.9949 8.9949 9.4073 9.4073 k = 0.1500 0.1500-0.0000 ( 12186 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9994 -25.9994 -11.4137 -11.4137 -11.0921 -11.0921 -11.0771 -11.0771 -10.8886 -10.8886 -9.6677 -9.6677 -9.6003 -9.6003 -9.4151 -9.4151 -9.3901 -9.3901 -9.3532 -9.3532 -9.3174 -9.3174 -1.3993 -1.3993 -1.1395 -1.1395 -0.9763 -0.9763 -0.0891 -0.0891 0.1474 0.1474 0.5192 0.5192 0.6266 0.6266 1.0462 1.0462 1.5075 1.5075 1.6951 1.6951 1.7967 1.7967 1.9044 1.9044 2.0879 2.0879 2.1347 2.1347 2.6455 2.6455 2.7313 2.7313 4.6826 4.6826 6.7836 6.7836 7.9897 7.9897 9.0067 9.0067 9.0230 9.0230 9.3982 9.3982 k = 0.1333 0.1333-0.0000 ( 12188 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4149 -11.4149 -11.0923 -11.0923 -11.0802 -11.0802 -10.8835 -10.8835 -9.6694 -9.6694 -9.5986 -9.5986 -9.4168 -9.4168 -9.3914 -9.3914 -9.3514 -9.3514 -9.3156 -9.3156 -1.4170 -1.4170 -1.1261 -1.1261 -0.9931 -0.9931 -0.0999 -0.0999 0.1366 0.1366 0.5178 0.5178 0.6249 0.6249 1.0530 1.0530 1.5372 1.5372 1.7266 1.7266 1.8076 1.8076 1.9016 1.9016 2.0859 2.0859 2.1379 2.1379 2.6451 2.6451 2.7278 2.7278 4.7174 4.7174 6.7234 6.7234 7.9360 7.9360 9.0436 9.0436 9.0507 9.0507 9.3841 9.3841 k = 0.1167 0.1167-0.0000 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4161 -11.4161 -11.0925 -11.0925 -11.0831 -11.0831 -10.8788 -10.8788 -9.6709 -9.6709 -9.5972 -9.5972 -9.4186 -9.4186 -9.3925 -9.3925 -9.3499 -9.3499 -9.3137 -9.3137 -1.4330 -1.4330 -1.1140 -1.1140 -1.0079 -1.0079 -0.1097 -0.1097 0.1268 0.1268 0.5164 0.5164 0.6233 0.6233 1.0585 1.0585 1.5674 1.5674 1.7544 1.7544 1.8181 1.8181 1.8986 1.8986 2.0712 2.0712 2.1520 2.1520 2.6448 2.6448 2.7246 2.7246 4.7487 4.7487 6.6688 6.6688 7.8878 7.8878 9.0770 9.0770 9.0784 9.0784 9.3667 9.3667 k = 0.1000 0.1000-0.0000 ( 12189 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4171 -11.4171 -11.0926 -11.0926 -11.0856 -11.0856 -10.8747 -10.8747 -9.6724 -9.6724 -9.5959 -9.5959 -9.4202 -9.4202 -9.3933 -9.3933 -9.3486 -9.3486 -9.3120 -9.3120 -1.4471 -1.4471 -1.1034 -1.1034 -1.0205 -1.0205 -0.1184 -0.1184 0.1181 0.1181 0.5153 0.5153 0.6219 0.6219 1.0629 1.0629 1.5978 1.5978 1.7777 1.7777 1.8277 1.8277 1.8952 1.8952 2.0543 2.0543 2.1672 2.1672 2.6447 2.6447 2.7219 2.7219 4.7762 4.7762 6.6205 6.6205 7.8455 7.8455 9.1033 9.1033 9.1086 9.1086 9.3479 9.3479 k = 0.0833 0.0833-0.0000 ( 12205 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4179 -11.4179 -11.0927 -11.0927 -11.0877 -11.0877 -10.8711 -10.8711 -9.6737 -9.6737 -9.5947 -9.5947 -9.4217 -9.4217 -9.3939 -9.3939 -9.3475 -9.3475 -9.3104 -9.3104 -1.4593 -1.4593 -1.0948 -1.0948 -1.0305 -1.0305 -0.1259 -0.1259 0.1107 0.1107 0.5143 0.5143 0.6207 0.6207 1.0664 1.0664 1.6278 1.6278 1.7962 1.7962 1.8360 1.8360 1.8914 1.8914 2.0384 2.0384 2.1810 2.1810 2.6446 2.6446 2.7195 2.7195 4.7997 4.7997 6.5789 6.5789 7.8093 7.8093 9.1275 9.1275 9.1355 9.1355 9.3292 9.3292 k = 0.0667 0.0667-0.0000 ( 12209 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4187 -11.4187 -11.0927 -11.0927 -11.0895 -11.0895 -10.8682 -10.8682 -9.6747 -9.6747 -9.5938 -9.5938 -9.4230 -9.4230 -9.3944 -9.3944 -9.3467 -9.3467 -9.3091 -9.3091 -1.4693 -1.4693 -1.0886 -1.0886 -1.0377 -1.0377 -0.1322 -0.1322 0.1045 0.1045 0.5135 0.5135 0.6198 0.6198 1.0691 1.0691 1.6569 1.6569 1.8098 1.8098 1.8416 1.8416 1.8870 1.8870 2.0254 2.0254 2.1926 2.1926 2.6447 2.6447 2.7175 2.7175 4.8190 4.8190 6.5443 6.5443 7.7793 7.7793 9.1494 9.1494 9.1580 9.1580 9.3117 9.3117 k = 0.0500 0.0500-0.0000 ( 12209 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4193 -11.4193 -11.0928 -11.0928 -11.0909 -11.0909 -10.8658 -10.8658 -9.6756 -9.6756 -9.5931 -9.5931 -9.4240 -9.4240 -9.3948 -9.3948 -9.3460 -9.3460 -9.3080 -9.3080 -1.4772 -1.4772 -1.0850 -1.0850 -1.0420 -1.0420 -0.1371 -0.1371 0.0996 0.0996 0.5128 0.5128 0.6190 0.6190 1.0711 1.0711 1.6843 1.6843 1.8192 1.8192 1.8430 1.8430 1.8829 1.8829 2.0159 2.0159 2.2017 2.2017 2.6448 2.6448 2.7159 2.7159 4.8342 4.8342 6.5171 6.5171 7.7559 7.7559 9.1686 9.1686 9.1759 9.1759 9.2961 9.2961 k = 0.0333 0.0333-0.0000 ( 12229 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0003 -26.0003 -25.9993 -25.9993 -11.4197 -11.4197 -11.0928 -11.0928 -11.0919 -11.0919 -10.8641 -10.8641 -9.6762 -9.6762 -9.5926 -9.5926 -9.4248 -9.4248 -9.3951 -9.3951 -9.3456 -9.3456 -9.3072 -9.3072 -1.4829 -1.4829 -1.0836 -1.0836 -1.0438 -1.0438 -0.1407 -0.1407 0.0961 0.0961 0.5123 0.5123 0.6184 0.6184 1.0725 1.0725 1.7086 1.7086 1.8242 1.8242 1.8400 1.8400 1.8801 1.8801 2.0102 2.0102 2.2083 2.2083 2.6448 2.6448 2.7148 2.7148 4.8449 4.8449 6.4975 6.4975 7.7391 7.7391 9.1843 9.1843 9.1889 9.1889 9.2832 9.2832 k = 0.0167 0.0167-0.0000 ( 12247 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0003 -26.0003 -25.9993 -25.9993 -11.4199 -11.4199 -11.0929 -11.0929 -11.0924 -11.0924 -10.8631 -10.8631 -9.6766 -9.6766 -9.5923 -9.5923 -9.4252 -9.4252 -9.3952 -9.3952 -9.3453 -9.3453 -9.3067 -9.3067 -1.4863 -1.4863 -1.0834 -1.0834 -1.0443 -1.0443 -0.1429 -0.1429 0.0940 0.0940 0.5120 0.5120 0.6181 0.6181 1.0733 1.0733 1.7270 1.7270 1.8235 1.8235 1.8373 1.8373 1.8788 1.8788 2.0074 2.0074 2.2122 2.2122 2.6449 2.6449 2.7141 2.7141 4.8514 4.8514 6.4857 6.4857 7.7289 7.7289 9.1952 9.1952 9.1968 9.1968 9.2741 9.2741 k = 0.0000 0.0000 0.0000 ( 12271 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0003 -26.0003 -25.9993 -25.9993 -11.4200 -11.4200 -11.0929 -11.0929 -11.0926 -11.0926 -10.8628 -10.8628 -9.6768 -9.6768 -9.5922 -9.5922 -9.4254 -9.4254 -9.3953 -9.3953 -9.3452 -9.3452 -9.3065 -9.3065 -1.4875 -1.4875 -1.0835 -1.0835 -1.0443 -1.0443 -0.1437 -0.1437 0.0933 0.0933 0.5119 0.5119 0.6180 0.6180 1.0736 1.0736 1.7343 1.7343 1.8213 1.8213 1.8370 1.8370 1.8784 1.8784 2.0065 2.0065 2.2136 2.2136 2.6449 2.6449 2.7139 2.7139 4.8535 4.8535 6.4817 6.4817 7.7255 7.7255 9.1989 9.1989 9.1998 9.1998 9.2706 9.2706 k = 0.0000 0.0000 0.0000 ( 12271 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0003 -26.0003 -25.9993 -25.9993 -11.4200 -11.4200 -11.0929 -11.0929 -11.0926 -11.0926 -10.8628 -10.8628 -9.6768 -9.6768 -9.5922 -9.5922 -9.4254 -9.4254 -9.3953 -9.3953 -9.3452 -9.3452 -9.3065 -9.3065 -1.4875 -1.4875 -1.0835 -1.0835 -1.0443 -1.0443 -0.1437 -0.1437 0.0933 0.0933 0.5119 0.5119 0.6180 0.6180 1.0736 1.0736 1.7343 1.7343 1.8213 1.8213 1.8370 1.8370 1.8784 1.8784 2.0065 2.0065 2.2136 2.2136 2.6449 2.6449 2.7139 2.7139 4.8535 4.8535 6.4817 6.4817 7.7255 7.7255 9.1989 9.1989 9.1998 9.1998 9.2706 9.2706 k = 0.0000 0.0000 0.0232 ( 12239 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9993 -25.9993 -11.4201 -11.4201 -11.0927 -11.0927 -11.0923 -11.0923 -10.8627 -10.8627 -9.6767 -9.6767 -9.5924 -9.5924 -9.4253 -9.4253 -9.3952 -9.3952 -9.3454 -9.3454 -9.3067 -9.3067 -1.4873 -1.4873 -1.0831 -1.0831 -1.0441 -1.0441 -0.1437 -0.1437 0.0933 0.0933 0.5112 0.5112 0.6171 0.6171 1.0710 1.0710 1.7333 1.7333 1.8216 1.8216 1.8354 1.8354 1.8803 1.8803 2.0064 2.0064 2.2137 2.2137 2.6444 2.6444 2.7133 2.7133 4.8537 4.8537 6.4850 6.4850 7.7276 7.7276 9.2018 9.2018 9.2026 9.2026 9.2729 9.2729 k = 0.0000 0.0000 0.0465 ( 12247 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9992 -25.9992 -11.4202 -11.4202 -11.0920 -11.0920 -11.0916 -11.0916 -10.8624 -10.8624 -9.6766 -9.6766 -9.5930 -9.5930 -9.4252 -9.4252 -9.3950 -9.3950 -9.3461 -9.3461 -9.3073 -9.3073 -1.4866 -1.4866 -1.0823 -1.0823 -1.0433 -1.0433 -0.1437 -0.1437 0.0934 0.0934 0.5088 0.5088 0.6145 0.6145 1.0632 1.0632 1.7307 1.7307 1.8223 1.8223 1.8305 1.8305 1.8854 1.8854 2.0061 2.0061 2.2143 2.2143 2.6428 2.6428 2.7114 2.7114 4.8539 4.8539 6.4947 6.4947 7.7339 7.7339 9.2104 9.2104 9.2110 9.2110 9.2797 9.2797 k = 0.0000 0.0000 0.0697 ( 12223 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0002 -26.0002 -25.9992 -25.9992 -11.4205 -11.4205 -11.0909 -11.0909 -11.0904 -11.0904 -10.8619 -10.8619 -9.6763 -9.6763 -9.5940 -9.5940 -9.4251 -9.4251 -9.3947 -9.3947 -9.3471 -9.3471 -9.3082 -9.3082 -1.4855 -1.4855 -1.0810 -1.0810 -1.0419 -1.0419 -0.1437 -0.1437 0.0936 0.0936 0.5049 0.5049 0.6102 0.6102 1.0505 1.0505 1.7266 1.7266 1.8218 1.8218 1.8241 1.8241 1.8935 1.8935 2.0056 2.0056 2.2151 2.2151 2.6402 2.6402 2.7085 2.7085 4.8543 4.8543 6.5109 6.5109 7.7444 7.7444 9.2245 9.2245 9.2249 9.2249 9.2910 9.2910 k = 0.0000 0.0000 0.0929 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0001 -26.0001 -25.9991 -25.9991 -11.4209 -11.4209 -11.0893 -11.0893 -11.0887 -11.0887 -10.8612 -10.8612 -9.6759 -9.6759 -9.5955 -9.5955 -9.4249 -9.4249 -9.3942 -9.3942 -9.3485 -9.3485 -9.3096 -9.3096 -1.4839 -1.4839 -1.0793 -1.0793 -1.0400 -1.0400 -0.1437 -0.1437 0.0938 0.0938 0.4994 0.4994 0.6042 0.6042 1.0330 1.0330 1.7217 1.7217 1.8108 1.8108 1.8255 1.8255 1.9040 1.9040 2.0050 2.0050 2.2163 2.2163 2.6366 2.6366 2.7044 2.7044 4.8549 4.8549 6.5333 6.5333 7.7590 7.7590 9.2440 9.2440 9.2440 9.2440 9.3065 9.3065 k = 0.0000 0.0000 0.1162 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -26.0000 -26.0000 -25.9991 -25.9991 -11.4214 -11.4214 -11.0873 -11.0873 -11.0866 -11.0866 -10.8604 -10.8604 -9.6755 -9.6755 -9.5972 -9.5972 -9.4246 -9.4246 -9.3937 -9.3937 -9.3503 -9.3503 -9.3113 -9.3113 -1.4819 -1.4819 -1.0773 -1.0773 -1.0374 -1.0374 -0.1438 -0.1438 0.0941 0.0941 0.4925 0.4925 0.5965 0.5965 1.0110 1.0110 1.7163 1.7163 1.7965 1.7965 1.8277 1.8277 1.9164 1.9164 2.0042 2.0042 2.2178 2.2178 2.6321 2.6321 2.6993 2.6993 4.8555 4.8555 6.5616 6.5616 7.7777 7.7777 9.2681 9.2681 9.2686 9.2686 9.3259 9.3259 k = 0.0000 0.0000 0.1394 ( 12160 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9999 -25.9999 -25.9990 -25.9990 -11.4220 -11.4220 -11.0848 -11.0848 -11.0840 -11.0840 -10.8594 -10.8594 -9.6749 -9.6749 -9.5994 -9.5994 -9.4242 -9.4242 -9.3930 -9.3930 -9.3525 -9.3525 -9.3134 -9.3134 -1.4795 -1.4795 -1.0751 -1.0751 -1.0339 -1.0339 -0.1439 -0.1439 0.0945 0.0945 0.4842 0.4842 0.5874 0.5874 0.9848 0.9848 1.7107 1.7107 1.7792 1.7792 1.8304 1.8304 1.9302 1.9302 2.0033 2.0033 2.2197 2.2197 2.6268 2.6268 2.6932 2.6932 4.8564 4.8564 6.5957 6.5957 7.8005 7.8005 9.2964 9.2964 9.2977 9.2977 9.3475 9.3475 k = 0.0000 0.0000 0.1626 ( 12164 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9989 -25.9989 -11.4227 -11.4227 -11.0819 -11.0819 -11.0810 -11.0810 -10.8582 -10.8582 -9.6743 -9.6743 -9.6020 -9.6020 -9.4238 -9.4238 -9.3922 -9.3922 -9.3551 -9.3551 -9.3158 -9.3158 -1.4767 -1.4767 -1.0729 -1.0729 -1.0297 -1.0297 -0.1439 -0.1439 0.0949 0.0949 0.4744 0.4744 0.5766 0.5766 0.9549 0.9549 1.7052 1.7052 1.7591 1.7591 1.8336 1.8336 1.9451 1.9451 2.0023 2.0023 2.2218 2.2218 2.6208 2.6208 2.6861 2.6861 4.8574 4.8574 6.6351 6.6351 7.8273 7.8273 9.3269 9.3269 9.3310 9.3310 9.3566 9.3566 k = 0.0000 0.0000 0.1859 ( 12160 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9997 -25.9997 -25.9987 -25.9987 -11.4234 -11.4234 -11.0787 -11.0787 -11.0775 -11.0775 -10.8569 -10.8569 -9.6735 -9.6735 -9.6048 -9.6048 -9.4234 -9.4234 -9.3913 -9.3913 -9.3580 -9.3580 -9.3185 -9.3185 -1.4735 -1.4735 -1.0706 -1.0706 -1.0246 -1.0246 -0.1440 -0.1440 0.0953 0.0953 0.4633 0.4633 0.5645 0.5645 0.9215 0.9215 1.6998 1.6998 1.7366 1.7366 1.8373 1.8373 1.9610 1.9610 2.0013 2.0013 2.2242 2.2242 2.6143 2.6143 2.6782 2.6782 4.8585 4.8585 6.6796 6.6796 7.8580 7.8580 9.2649 9.2649 9.3672 9.3672 9.3678 9.3678 k = 0.0000 0.0000 0.2091 ( 12176 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9996 -25.9996 -25.9986 -25.9986 -11.4243 -11.4243 -11.0750 -11.0750 -11.0737 -11.0737 -10.8554 -10.8554 -9.6727 -9.6727 -9.6081 -9.6081 -9.4229 -9.4229 -9.3903 -9.3903 -9.3612 -9.3612 -9.3216 -9.3216 -1.4700 -1.4700 -1.0685 -1.0685 -1.0185 -1.0185 -0.1442 -0.1442 0.0958 0.0958 0.4511 0.4511 0.5511 0.5511 0.8853 0.8853 1.6947 1.6947 1.7117 1.7117 1.8413 1.8413 1.9774 1.9774 2.0002 2.0002 2.2269 2.2269 2.6072 2.6072 2.6696 2.6696 4.8598 4.8598 6.7286 6.7286 7.8926 7.8926 9.1449 9.1449 9.4055 9.4055 9.4075 9.4075 k = 0.0000 0.0000 0.2324 ( 12184 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9994 -25.9994 -25.9985 -25.9985 -11.4253 -11.4253 -11.0710 -11.0710 -11.0695 -11.0695 -10.8537 -10.8537 -9.6718 -9.6718 -9.6116 -9.6116 -9.4223 -9.4223 -9.3891 -9.3891 -9.3647 -9.3647 -9.3250 -9.3250 -1.4661 -1.4661 -1.0664 -1.0664 -1.0116 -1.0116 -0.1443 -0.1443 0.0964 0.0964 0.4377 0.4377 0.5364 0.5364 0.8465 0.8465 1.6847 1.6847 1.6898 1.6898 1.8458 1.8458 1.9943 1.9943 1.9990 1.9990 2.2299 2.2299 2.5999 2.5999 2.6604 2.6604 4.8611 4.8611 6.7818 6.7818 7.9308 7.9308 9.0218 9.0218 9.4463 9.4463 9.4494 9.4494 k = 0.0000 0.0000 0.2556 ( 12184 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9992 -25.9992 -25.9983 -25.9983 -11.4263 -11.4263 -11.0667 -11.0667 -11.0649 -11.0649 -10.8520 -10.8520 -9.6708 -9.6708 -9.6154 -9.6154 -9.4218 -9.4218 -9.3879 -9.3879 -9.3685 -9.3685 -9.3287 -9.3287 -1.4620 -1.4620 -1.0645 -1.0645 -1.0039 -1.0039 -0.1445 -0.1445 0.0969 0.0969 0.4232 0.4232 0.5207 0.5207 0.8055 0.8055 1.6560 1.6560 1.6852 1.6852 1.8506 1.8506 1.9978 1.9978 2.0116 2.0116 2.2331 2.2331 2.5924 2.5924 2.6507 2.6507 4.8626 4.8626 6.8388 6.8388 7.9725 7.9725 8.8989 8.8989 9.4886 9.4886 9.4926 9.4926 k = 0.0000 0.0000 0.2788 ( 12160 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9991 -25.9991 -25.9981 -25.9981 -11.4274 -11.4274 -11.0621 -11.0621 -11.0600 -11.0600 -10.8501 -10.8501 -9.6698 -9.6698 -9.6195 -9.6195 -9.4212 -9.4212 -9.3866 -9.3866 -9.3725 -9.3725 -9.3326 -9.3326 -1.4575 -1.4575 -1.0627 -1.0627 -0.9955 -0.9955 -0.1446 -0.1446 0.0975 0.0975 0.4079 0.4079 0.5040 0.5040 0.7629 0.7629 1.6257 1.6257 1.6808 1.6808 1.8559 1.8559 1.9966 1.9966 2.0291 2.0291 2.2365 2.2365 2.5850 2.5850 2.6406 2.6406 4.8642 4.8642 6.8992 6.8992 8.0174 8.0174 8.7776 8.7776 9.5312 9.5312 9.5362 9.5362 k = 0.0000 0.0000 0.3021 ( 12160 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9989 -25.9989 -25.9980 -25.9980 -11.4286 -11.4286 -11.0572 -11.0572 -11.0548 -11.0548 -10.8481 -10.8481 -9.6687 -9.6687 -9.6238 -9.6238 -9.4205 -9.4205 -9.3853 -9.3853 -9.3768 -9.3768 -9.3368 -9.3368 -1.4528 -1.4528 -1.0610 -1.0610 -0.9864 -0.9864 -0.1449 -0.1449 0.0982 0.0982 0.3918 0.3918 0.4865 0.4865 0.7191 0.7191 1.5942 1.5942 1.6767 1.6767 1.8615 1.8615 1.9954 1.9954 2.0466 2.0466 2.2403 2.2403 2.5777 2.5777 2.6302 2.6302 4.8659 4.8659 6.9626 6.9626 8.0649 8.0649 8.6590 8.6590 9.5735 9.5735 9.5794 9.5794 k = 0.0000 0.0000 0.3253 ( 12180 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9987 -25.9987 -25.9978 -25.9978 -11.4298 -11.4298 -11.0520 -11.0520 -11.0493 -11.0493 -10.8461 -10.8461 -9.6676 -9.6676 -9.6283 -9.6283 -9.4199 -9.4199 -9.3839 -9.3839 -9.3812 -9.3812 -9.3411 -9.3411 -1.4479 -1.4479 -1.0593 -1.0593 -0.9768 -0.9768 -0.1451 -0.1451 0.0988 0.0988 0.3750 0.3750 0.4683 0.4683 0.6743 0.6743 1.5617 1.5617 1.6728 1.6728 1.8673 1.8673 1.9942 1.9942 2.0640 2.0640 2.2443 2.2443 2.5707 2.5707 2.6195 2.6195 4.8676 4.8676 7.0286 7.0286 8.1137 8.1137 8.5445 8.5445 9.6144 9.6144 9.6213 9.6213 k = 0.0000 0.0000 0.3485 ( 12188 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9985 -25.9985 -25.9976 -25.9976 -11.4311 -11.4311 -11.0467 -11.0467 -11.0436 -11.0436 -10.8439 -10.8439 -9.6664 -9.6664 -9.6331 -9.6331 -9.4193 -9.4193 -9.3857 -9.3857 -9.3824 -9.3824 -9.3456 -9.3456 -1.4428 -1.4428 -1.0577 -1.0577 -0.9668 -0.9668 -0.1453 -0.1453 0.0994 0.0994 0.3577 0.3577 0.4495 0.4495 0.6289 0.6289 1.5285 1.5285 1.6691 1.6691 1.8734 1.8734 1.9930 1.9930 2.0810 2.0810 2.2486 2.2486 2.5642 2.5642 2.6088 2.6088 4.8694 4.8694 7.0967 7.0967 8.1599 8.1599 8.4385 8.4385 9.6533 9.6533 9.6610 9.6610 k = 0.0000 0.0000 0.3718 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9983 -25.9983 -25.9974 -25.9974 -11.4324 -11.4324 -11.0411 -11.0411 -11.0377 -11.0377 -10.8417 -10.8417 -9.6652 -9.6652 -9.6379 -9.6379 -9.4188 -9.4188 -9.3904 -9.3904 -9.3809 -9.3809 -9.3503 -9.3503 -1.4376 -1.4376 -1.0562 -1.0562 -0.9564 -0.9564 -0.1456 -0.1456 0.1001 0.1001 0.3399 0.3399 0.4303 0.4303 0.5834 0.5834 1.4949 1.4949 1.6657 1.6657 1.8797 1.8797 1.9919 1.9919 2.0974 2.0974 2.2534 2.2534 2.5584 2.5584 2.5980 2.5980 4.8712 4.8712 7.1667 7.1667 8.1856 8.1856 8.3587 8.3587 9.6893 9.6893 9.6977 9.6977 k = 0.0000 0.0000 0.3950 ( 12240 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9981 -25.9981 -25.9972 -25.9972 -11.4338 -11.4338 -11.0354 -11.0354 -11.0317 -11.0317 -10.8395 -10.8395 -9.6639 -9.6639 -9.6429 -9.6429 -9.4183 -9.4183 -9.3949 -9.3949 -9.3794 -9.3794 -9.3550 -9.3550 -1.4323 -1.4323 -1.0547 -1.0547 -0.9457 -0.9457 -0.1460 -0.1460 0.1007 0.1007 0.3218 0.3218 0.4109 0.4109 0.5380 0.5380 1.4611 1.4611 1.6624 1.6624 1.8862 1.8862 1.9907 1.9907 2.1130 2.1130 2.2586 2.2586 2.5533 2.5533 2.5874 2.5874 4.8731 4.8731 7.2381 7.2381 8.1449 8.1449 8.3516 8.3516 9.7219 9.7219 9.7305 9.7305 k = 0.0000 0.0000 0.4182 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9979 -25.9979 -25.9970 -25.9970 -11.4351 -11.4351 -11.0296 -11.0296 -11.0255 -11.0255 -10.8372 -10.8372 -9.6627 -9.6627 -9.6480 -9.6480 -9.4181 -9.4181 -9.3994 -9.3994 -9.3781 -9.3781 -9.3597 -9.3597 -1.4269 -1.4269 -1.0533 -1.0533 -0.9349 -0.9349 -0.1463 -0.1463 0.1013 0.1013 0.3037 0.3037 0.3913 0.3913 0.4931 0.4931 1.4273 1.4273 1.6594 1.6594 1.8928 1.8928 1.9896 1.9896 2.1275 2.1275 2.2644 2.2644 2.5493 2.5493 2.5769 2.5769 4.8751 4.8751 7.3106 7.3106 8.0577 8.0577 8.3972 8.3972 9.7232 9.7232 9.7507 9.7507 k = 0.0000 0.0000 0.4415 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9977 -25.9977 -25.9968 -25.9968 -11.4365 -11.4365 -11.0238 -11.0238 -11.0193 -11.0193 -10.8349 -10.8349 -9.6614 -9.6614 -9.6531 -9.6531 -9.4183 -9.4183 -9.4033 -9.4033 -9.3770 -9.3770 -9.3641 -9.3641 -1.4215 -1.4215 -1.0518 -1.0518 -0.9240 -0.9240 -0.1467 -0.1467 0.1019 0.1019 0.2855 0.2855 0.3718 0.3718 0.4489 0.4489 1.3939 1.3939 1.6565 1.6565 1.8996 1.8996 1.9885 1.9885 2.1406 2.1406 2.2709 2.2709 2.5463 2.5463 2.5666 2.5666 4.8770 4.8770 7.3834 7.3834 7.9621 7.9621 8.4577 8.4577 9.6299 9.6299 9.7754 9.7754 k = 0.0000 0.0000 0.4647 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9975 -25.9975 -25.9966 -25.9966 -11.4379 -11.4379 -11.0179 -11.0179 -11.0130 -11.0130 -10.8326 -10.8326 -9.6602 -9.6602 -9.6582 -9.6582 -9.4194 -9.4194 -9.4065 -9.4065 -9.3769 -9.3769 -9.3675 -9.3675 -1.4161 -1.4161 -1.0504 -1.0504 -0.9132 -0.9132 -0.1470 -0.1470 0.1025 0.1025 0.2674 0.2674 0.3525 0.3525 0.4057 0.4057 1.3610 1.3610 1.6538 1.6538 1.9063 1.9063 1.9874 1.9874 2.1521 2.1521 2.2782 2.2782 2.5445 2.5445 2.5566 2.5566 4.8790 4.8790 7.4555 7.4555 7.8683 7.8683 8.5241 8.5241 9.5388 9.5388 9.7959 9.7959 k = 0.0000 0.0000 0.4879 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9972 -25.9972 -25.9964 -25.9964 -11.4392 -11.4392 -11.0121 -11.0121 -11.0068 -11.0068 -10.8304 -10.8304 -9.6633 -9.6633 -9.6589 -9.6589 -9.4218 -9.4218 -9.4083 -9.4083 -9.3789 -9.3789 -9.3689 -9.3689 -1.4108 -1.4108 -1.0491 -1.0491 -0.9024 -0.9024 -0.1474 -0.1474 0.1030 0.1030 0.2495 0.2495 0.3334 0.3334 0.3638 0.3638 1.3289 1.3289 1.6512 1.6512 1.9131 1.9131 1.9865 1.9865 2.1617 2.1617 2.2863 2.2863 2.5440 2.5440 2.5470 2.5470 4.8809 4.8809 7.5233 7.5233 7.7818 7.7818 8.5936 8.5936 9.4516 9.4516 9.8125 9.8125 k = 0.0000 0.0000 0.5112 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9970 -25.9970 -25.9962 -25.9962 -11.4406 -11.4406 -11.0063 -11.0063 -11.0006 -11.0006 -10.8282 -10.8282 -9.6684 -9.6684 -9.6577 -9.6577 -9.4252 -9.4252 -9.4091 -9.4091 -9.3826 -9.3826 -9.3685 -9.3685 -1.4055 -1.4055 -1.0478 -1.0478 -0.8919 -0.8919 -0.1479 -0.1479 0.1034 0.1034 0.2320 0.2320 0.3148 0.3148 0.3234 0.3234 1.2977 1.2977 1.6489 1.6489 1.9197 1.9197 1.9855 1.9855 2.1695 2.1695 2.2949 2.2949 2.5378 2.5378 2.5448 2.5448 4.8828 4.8828 7.5704 7.5704 7.7201 7.7201 8.6652 8.6652 9.3685 9.3685 9.8252 9.8252 k = 0.0000 0.0000 0.5344 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9968 -25.9968 -25.9960 -25.9960 -11.4419 -11.4419 -11.0006 -11.0006 -10.9945 -10.9945 -10.8260 -10.8260 -9.6733 -9.6733 -9.6565 -9.6565 -9.4292 -9.4292 -9.4091 -9.4091 -9.3870 -9.3870 -9.3673 -9.3673 -1.4003 -1.4003 -1.0465 -1.0465 -0.8816 -0.8816 -0.1483 -0.1483 0.1038 0.1038 0.2150 0.2150 0.2847 0.2847 0.2968 0.2968 1.2677 1.2677 1.6467 1.6467 1.9263 1.9263 1.9847 1.9847 2.1755 2.1755 2.3040 2.3040 2.5290 2.5290 2.5471 2.5471 4.8847 4.8847 7.5479 7.5479 7.7324 7.7324 8.7381 8.7381 9.2899 9.2899 9.8345 9.8345 k = 0.0000 0.0000 0.5577 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9967 -25.9967 -25.9959 -25.9959 -11.4432 -11.4432 -10.9951 -10.9951 -10.9886 -10.9886 -10.8239 -10.8239 -9.6781 -9.6781 -9.6553 -9.6553 -9.4333 -9.4333 -9.4088 -9.4088 -9.3915 -9.3915 -9.3660 -9.3660 -1.3954 -1.3954 -1.0453 -1.0453 -0.8717 -0.8717 -0.1487 -0.1487 0.1041 0.1041 0.1986 0.1986 0.2481 0.2481 0.2795 0.2795 1.2390 1.2390 1.6447 1.6447 1.9327 1.9327 1.9838 1.9838 2.1799 2.1799 2.3131 2.3131 2.5207 2.5207 2.5506 2.5506 4.8865 4.8865 7.4810 7.4810 7.7935 7.7935 8.8115 8.8115 9.2159 9.2159 9.8409 9.8409 k = 0.0000 0.0000 0.5809 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9965 -25.9965 -25.9957 -25.9957 -11.4444 -11.4444 -10.9898 -10.9898 -10.9828 -10.9828 -10.8219 -10.8219 -9.6827 -9.6827 -9.6542 -9.6542 -9.4375 -9.4375 -9.4084 -9.4084 -9.3960 -9.3960 -9.3646 -9.3646 -1.3906 -1.3906 -1.0441 -1.0441 -0.8622 -0.8622 -0.1492 -0.1492 0.1041 0.1041 0.1827 0.1827 0.2139 0.2139 0.2630 0.2630 1.2119 1.2119 1.6428 1.6428 1.9388 1.9388 1.9831 1.9831 2.1830 2.1830 2.3221 2.3221 2.5130 2.5130 2.5554 2.5554 4.8882 4.8882 7.4083 7.4083 7.8651 7.8651 8.8850 8.8850 9.1467 9.1467 9.8446 9.8446 k = 0.0000 0.0000 0.6041 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9963 -25.9963 -25.9955 -25.9955 -11.4456 -11.4456 -10.9847 -10.9847 -10.9774 -10.9774 -10.8200 -10.8200 -9.6872 -9.6872 -9.6532 -9.6532 -9.4416 -9.4416 -9.4079 -9.4079 -9.4003 -9.4003 -9.3632 -9.3632 -1.3861 -1.3861 -1.0430 -1.0430 -0.8531 -0.8531 -0.1496 -0.1496 0.1038 0.1038 0.1667 0.1667 0.1831 0.1831 0.2474 0.2474 1.1863 1.1863 1.6411 1.6411 1.9447 1.9447 1.9824 1.9824 2.1850 2.1850 2.3306 2.3306 2.5058 2.5058 2.5612 2.5612 4.8899 4.8899 7.3377 7.3377 7.9391 7.9391 8.9576 8.9576 9.0824 9.0824 9.8461 9.8461 k = 0.0000 0.0000 0.6274 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9961 -25.9961 -25.9954 -25.9954 -11.4467 -11.4467 -10.9799 -10.9799 -10.9722 -10.9722 -10.8182 -10.8182 -9.6913 -9.6913 -9.6522 -9.6522 -9.4455 -9.4455 -9.4074 -9.4074 -9.4044 -9.4044 -9.3619 -9.3619 -1.3818 -1.3818 -1.0420 -1.0420 -0.8447 -0.8447 -0.1501 -0.1501 0.1027 0.1027 0.1475 0.1475 0.1597 0.1597 0.2328 0.2328 1.1626 1.1626 1.6396 1.6396 1.9502 1.9502 1.9818 1.9818 2.1861 2.1861 2.3385 2.3385 2.4991 2.4991 2.5679 2.5679 4.8915 4.8915 7.2713 7.2713 8.0135 8.0135 9.0233 9.0233 9.0287 9.0287 9.8458 9.8458 k = 0.0000 0.0000 0.6506 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9960 -25.9960 -25.9952 -25.9952 -11.4477 -11.4477 -10.9754 -10.9754 -10.9673 -10.9673 -10.8165 -10.8165 -9.6952 -9.6952 -9.6513 -9.6513 -9.4491 -9.4491 -9.4083 -9.4083 -9.4069 -9.4069 -9.3606 -9.3606 -1.3779 -1.3779 -1.0410 -1.0410 -0.8368 -0.8368 -0.1505 -0.1505 0.0988 0.0988 0.1259 0.1259 0.1449 0.1449 0.2193 0.2193 1.1407 1.1407 1.6382 1.6382 1.9554 1.9554 1.9813 1.9813 2.1866 2.1866 2.3457 2.3457 2.4931 2.4931 2.5751 2.5751 4.8929 4.8929 7.2099 7.2099 8.0873 8.0873 8.9693 8.9693 9.0975 9.0975 9.8436 9.8436 k = 0.0000 0.0000 0.6738 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9958 -25.9958 -25.9951 -25.9951 -11.4486 -11.4486 -10.9713 -10.9713 -10.9629 -10.9629 -10.8150 -10.8150 -9.6988 -9.6988 -9.6505 -9.6505 -9.4525 -9.4525 -9.4118 -9.4118 -9.4064 -9.4064 -9.3594 -9.3594 -1.3742 -1.3742 -1.0402 -1.0402 -0.8297 -0.8297 -0.1509 -0.1509 0.0864 0.0864 0.1132 0.1132 0.1333 0.1333 0.2070 0.2070 1.1208 1.1208 1.6370 1.6370 1.9602 1.9602 1.9808 1.9808 2.1866 2.1866 2.3521 2.3521 2.4877 2.4877 2.5827 2.5827 4.8943 4.8943 7.1540 7.1540 8.1595 8.1595 8.9207 8.9207 9.1630 9.1630 9.8372 9.8372 k = 0.0000 0.0000 0.6971 ( 12240 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9957 -25.9957 -25.9950 -25.9950 -11.4495 -11.4495 -10.9676 -10.9676 -10.9589 -10.9589 -10.8136 -10.8136 -9.7021 -9.7021 -9.6497 -9.6497 -9.4555 -9.4555 -9.4151 -9.4151 -9.4060 -9.4060 -9.3584 -9.3584 -1.3710 -1.3710 -1.0394 -1.0394 -0.8232 -0.8232 -0.1512 -0.1512 0.0677 0.0677 0.1085 0.1085 0.1240 0.1240 0.1960 0.1960 1.1031 1.1031 1.6359 1.6359 1.9645 1.9645 1.9804 1.9804 2.1863 2.1863 2.3576 2.3576 2.4829 2.4829 2.5903 2.5903 4.8954 4.8954 7.1040 7.1040 8.2295 8.2295 8.8775 8.8775 9.2244 9.2244 9.8115 9.8115 k = 0.0000 0.0000 0.7203 ( 12240 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9956 -25.9956 -25.9949 -25.9949 -11.4502 -11.4502 -10.9643 -10.9643 -10.9553 -10.9553 -10.8124 -10.8124 -9.7049 -9.7049 -9.6491 -9.6491 -9.4582 -9.4582 -9.4179 -9.4179 -9.4056 -9.4056 -9.3574 -9.3574 -1.3681 -1.3681 -1.0387 -1.0387 -0.8176 -0.8176 -0.1515 -0.1515 0.0493 0.0493 0.1045 0.1045 0.1177 0.1177 0.1863 0.1863 1.0876 1.0876 1.6350 1.6350 1.9683 1.9683 1.9801 1.9801 2.1858 2.1858 2.3623 2.3623 2.4787 2.4787 2.5975 2.5975 4.8965 4.8965 7.0601 7.0601 8.2959 8.2959 8.8399 8.8399 9.2805 9.2805 9.7680 9.7680 k = 0.0000 0.0000 0.7435 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9955 -25.9955 -25.9948 -25.9948 -11.4509 -11.4509 -10.9614 -10.9614 -10.9522 -10.9522 -10.8114 -10.8114 -9.7074 -9.7074 -9.6485 -9.6485 -9.4606 -9.4606 -9.4204 -9.4204 -9.4052 -9.4052 -9.3566 -9.3566 -1.3656 -1.3656 -1.0381 -1.0381 -0.8127 -0.8127 -0.1518 -0.1518 0.0332 0.0332 0.0992 0.0992 0.1146 0.1146 0.1780 0.1780 1.0743 1.0743 1.6342 1.6342 1.9715 1.9715 1.9798 1.9798 2.1852 2.1852 2.3662 2.3662 2.4752 2.4752 2.6042 2.6042 4.8974 4.8974 7.0226 7.0226 8.3577 8.3577 8.8079 8.8079 9.3303 9.3303 9.7222 9.7222 k = 0.0000 0.0000 0.7668 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9954 -25.9954 -25.9947 -25.9947 -11.4514 -11.4514 -10.9590 -10.9590 -10.9496 -10.9496 -10.8105 -10.8105 -9.7095 -9.7095 -9.6480 -9.6480 -9.4625 -9.4625 -9.4225 -9.4225 -9.4049 -9.4049 -9.3559 -9.3559 -1.3635 -1.3635 -1.0376 -1.0376 -0.8087 -0.8087 -0.1521 -0.1521 0.0197 0.0197 0.0938 0.0938 0.1133 0.1133 0.1712 0.1712 1.0633 1.0633 1.6336 1.6336 1.9742 1.9742 1.9796 1.9796 2.1846 2.1846 2.3694 2.3694 2.4723 2.4723 2.6100 2.6100 4.8982 4.8982 6.9916 6.9916 8.4130 8.4130 8.7816 8.7816 9.3729 9.3729 9.6784 9.6784 k = 0.0000 0.0000 0.7900 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9954 -25.9954 -25.9947 -25.9947 -11.4518 -11.4518 -10.9572 -10.9572 -10.9476 -10.9476 -10.8098 -10.8098 -9.7111 -9.7111 -9.6476 -9.6476 -9.4640 -9.4640 -9.4241 -9.4241 -9.4047 -9.4047 -9.3553 -9.3553 -1.3619 -1.3619 -1.0373 -1.0373 -0.8055 -0.8055 -0.1523 -0.1523 0.0090 0.0090 0.0893 0.0893 0.1127 0.1127 0.1658 0.1658 1.0548 1.0548 1.6331 1.6331 1.9763 1.9763 1.9794 1.9794 2.1841 2.1841 2.3719 2.3719 2.4701 2.4701 2.6149 2.6149 4.8988 4.8988 6.9673 6.9673 8.4598 8.4598 8.7611 8.7611 9.4072 9.4072 9.6397 9.6397 k = 0.0000 0.0000 0.8132 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4521 -11.4521 -10.9558 -10.9558 -10.9461 -10.9461 -10.8094 -10.8094 -9.7123 -9.7123 -9.6474 -9.6474 -9.4651 -9.4651 -9.4253 -9.4253 -9.4045 -9.4045 -9.3550 -9.3550 -1.3607 -1.3607 -1.0370 -1.0370 -0.8033 -0.8033 -0.1524 -0.1524 0.0014 0.0014 0.0859 0.0859 0.1124 0.1124 0.1620 0.1620 1.0486 1.0486 1.6327 1.6327 1.9778 1.9778 1.9794 1.9794 2.1837 2.1837 2.3736 2.3736 2.4685 2.4685 2.6184 2.6184 4.8992 4.8992 6.9499 6.9499 8.4958 8.4958 8.7465 8.7465 9.4324 9.4324 9.6091 9.6091 k = 0.0000 0.0000 0.8365 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4523 -11.4523 -10.9550 -10.9550 -10.9452 -10.9452 -10.8091 -10.8091 -9.7130 -9.7130 -9.6472 -9.6472 -9.4658 -9.4658 -9.4260 -9.4260 -9.4044 -9.4044 -9.3547 -9.3547 -1.3601 -1.3601 -1.0368 -1.0368 -0.8019 -0.8019 -0.1525 -0.1525 -0.0032 -0.0032 0.0838 0.0838 0.1123 0.1123 0.1597 0.1597 1.0449 1.0449 1.6325 1.6325 1.9786 1.9786 1.9795 1.9795 2.1835 2.1835 2.3746 2.3746 2.4676 2.4676 2.6205 2.6205 4.8995 4.8995 6.9394 6.9394 8.5185 8.5185 8.7376 8.7376 9.4478 9.4478 9.5894 9.5894 k = 0.0000 0.0000 0.8597 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4524 -11.4524 -10.9548 -10.9548 -10.9449 -10.9449 -10.8090 -10.8090 -9.7132 -9.7132 -9.6472 -9.6472 -9.4660 -9.4660 -9.4262 -9.4262 -9.4044 -9.4044 -9.3546 -9.3546 -1.3598 -1.3598 -1.0368 -1.0368 -0.8014 -0.8014 -0.1525 -0.1525 -0.0047 -0.0047 0.0831 0.0831 0.1122 0.1122 0.1589 0.1589 1.0437 1.0437 1.6324 1.6324 1.9788 1.9788 1.9796 1.9796 2.1834 2.1834 2.3749 2.3749 2.4673 2.4673 2.6213 2.6213 4.8995 4.8995 6.9359 6.9359 8.5264 8.5264 8.7347 8.7347 9.4530 9.4530 9.5826 9.5826 k = 0.0000 0.0000 0.8597 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4524 -11.4524 -10.9548 -10.9548 -10.9449 -10.9449 -10.8090 -10.8090 -9.7132 -9.7132 -9.6472 -9.6472 -9.4660 -9.4660 -9.4262 -9.4262 -9.4044 -9.4044 -9.3546 -9.3546 -1.3598 -1.3598 -1.0368 -1.0368 -0.8014 -0.8014 -0.1525 -0.1525 -0.0047 -0.0047 0.0831 0.0831 0.1122 0.1122 0.1589 0.1589 1.0437 1.0437 1.6324 1.6324 1.9788 1.9788 1.9796 1.9796 2.1834 2.1834 2.3749 2.3749 2.4673 2.4673 2.6213 2.6213 4.8995 4.8995 6.9359 6.9359 8.5264 8.5264 8.7347 8.7347 9.4530 9.4530 9.5826 9.5826 k = 0.0000 0.0227 0.8597 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4520 -11.4520 -10.9549 -10.9549 -10.9451 -10.9451 -10.8091 -10.8091 -9.7131 -9.7131 -9.6472 -9.6472 -9.4658 -9.4658 -9.4262 -9.4262 -9.4044 -9.4044 -9.3547 -9.3547 -1.3589 -1.3589 -1.0378 -1.0378 -0.8011 -0.8011 -0.1515 -0.1515 -0.0052 -0.0052 0.0835 0.0835 0.1134 0.1134 0.1590 0.1590 1.0436 1.0436 1.6302 1.6302 1.9629 1.9629 1.9951 1.9951 2.1831 2.1831 2.3736 2.3736 2.4672 2.4672 2.6213 2.6213 4.8977 4.8977 6.9379 6.9379 8.5303 8.5303 8.7368 8.7368 9.4546 9.4546 9.5809 9.5809 k = 0.0000 0.0455 0.8597 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4509 -11.4509 -10.9557 -10.9557 -10.9455 -10.9455 -10.8097 -10.8097 -9.7126 -9.7126 -9.6474 -9.6474 -9.4653 -9.4653 -9.4261 -9.4261 -9.4045 -9.4045 -9.3551 -9.3551 -1.3560 -1.3560 -1.0407 -1.0407 -0.8000 -0.8000 -0.1484 -0.1484 -0.0065 -0.0065 0.0848 0.0848 0.1168 0.1168 0.1595 0.1595 1.0432 1.0432 1.6235 1.6235 1.9469 1.9469 2.0101 2.0101 2.1822 2.1822 2.3695 2.3695 2.4671 2.4671 2.6213 2.6213 4.8922 4.8922 6.9439 6.9439 8.5419 8.5419 8.7433 8.7433 9.4597 9.4597 9.5760 9.5760 k = 0.0000 0.0682 0.8597 ( 12204 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4491 -11.4491 -10.9574 -10.9574 -10.9457 -10.9457 -10.8106 -10.8106 -9.7119 -9.7119 -9.6476 -9.6476 -9.4645 -9.4645 -9.4260 -9.4260 -9.4046 -9.4046 -9.3556 -9.3556 -1.3512 -1.3512 -1.0456 -1.0456 -0.7983 -0.7983 -0.1436 -0.1436 -0.0085 -0.0085 0.0869 0.0869 0.1227 0.1227 0.1603 0.1603 1.0426 1.0426 1.6122 1.6122 1.9317 1.9317 2.0239 2.0239 2.1806 2.1806 2.3628 2.3628 2.4668 2.4668 2.6214 2.6214 4.8832 4.8832 6.9538 6.9538 8.5613 8.5613 8.7540 8.7540 9.4680 9.4680 9.5675 9.5675 k = 0.0000 0.0909 0.8597 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4465 -11.4465 -10.9603 -10.9603 -10.9454 -10.9454 -10.8118 -10.8118 -9.7109 -9.7109 -9.6480 -9.6480 -9.4634 -9.4634 -9.4258 -9.4258 -9.4048 -9.4048 -9.3564 -9.3564 -1.3447 -1.3447 -1.0520 -1.0520 -0.7959 -0.7959 -0.1376 -0.1376 -0.0110 -0.0110 0.0897 0.0897 0.1310 0.1310 0.1614 0.1614 1.0418 1.0418 1.5961 1.5961 1.9179 1.9179 2.0364 2.0364 2.1784 2.1784 2.3535 2.3535 2.4664 2.4664 2.6217 2.6217 4.8710 4.8710 6.9675 6.9675 8.5880 8.5880 8.7690 8.7690 9.4795 9.4795 9.5550 9.5550 k = 0.0000 0.1136 0.8597 ( 12204 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4433 -11.4433 -10.9644 -10.9644 -10.9444 -10.9444 -10.8134 -10.8134 -9.7096 -9.7096 -9.6484 -9.6484 -9.4619 -9.4619 -9.4255 -9.4255 -9.4051 -9.4051 -9.3574 -9.3574 -1.3366 -1.3366 -1.0599 -1.0599 -0.7928 -0.7928 -0.1310 -0.1310 -0.0139 -0.0139 0.0931 0.0931 0.1420 0.1420 0.1629 0.1629 1.0407 1.0407 1.5752 1.5752 1.9061 1.9061 2.0474 2.0474 2.1752 2.1752 2.3419 2.3419 2.4658 2.4658 2.6222 2.6222 4.8560 4.8560 6.9850 6.9850 8.6219 8.6219 8.7881 8.7881 9.4939 9.4939 9.5382 9.5382 k = 0.0000 0.1364 0.8597 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4394 -11.4394 -10.9697 -10.9697 -10.9430 -10.9430 -10.8153 -10.8153 -9.7081 -9.7081 -9.6489 -9.6489 -9.4602 -9.4602 -9.4253 -9.4253 -9.4053 -9.4053 -9.3586 -9.3586 -1.3269 -1.3269 -1.0689 -1.0689 -0.7890 -0.7890 -0.1244 -0.1244 -0.0171 -0.0171 0.0968 0.0968 0.1553 0.1553 0.1655 0.1655 1.0395 1.0395 1.5498 1.5498 1.8965 1.8965 2.0569 2.0569 2.1709 2.1709 2.3282 2.3282 2.4651 2.4651 2.6231 2.6231 4.8383 4.8383 7.0059 7.0059 8.6626 8.6626 8.8113 8.8113 9.5103 9.5103 9.5172 9.5172 k = 0.0000 0.1591 0.8597 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9946 -25.9946 -11.4350 -11.4350 -10.9760 -10.9760 -10.9411 -10.9411 -10.8176 -10.8176 -9.7064 -9.7064 -9.6496 -9.6496 -9.4582 -9.4582 -9.4249 -9.4249 -9.4057 -9.4057 -9.3601 -9.3601 -1.3159 -1.3159 -1.0788 -1.0788 -0.7844 -0.7844 -0.1184 -0.1184 -0.0203 -0.0203 0.1009 0.1009 0.1643 0.1643 0.1757 0.1757 1.0382 1.0382 1.5202 1.5202 1.8891 1.8891 2.0647 2.0647 2.1652 2.1652 2.3131 2.3131 2.4640 2.4640 2.6243 2.6243 4.8187 4.8187 7.0302 7.0302 8.7097 8.7097 8.8385 8.8385 9.4887 9.4887 9.5311 9.5311 k = 0.0000 0.1818 0.8597 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9946 -25.9946 -11.4299 -11.4299 -10.9831 -10.9831 -10.9389 -10.9389 -10.8201 -10.8201 -9.7045 -9.7045 -9.6503 -9.6503 -9.4558 -9.4558 -9.4245 -9.4245 -9.4061 -9.4061 -9.3617 -9.3617 -1.3039 -1.3039 -1.0892 -1.0892 -0.7790 -0.7790 -0.1134 -0.1134 -0.0235 -0.0235 0.1050 0.1050 0.1674 0.1674 0.1952 0.1952 1.0369 1.0369 1.4872 1.4872 1.8838 1.8838 2.0708 2.0708 2.1577 2.1577 2.2972 2.2972 2.4629 2.4629 2.6258 2.6258 4.7975 4.7975 7.0576 7.0576 8.7626 8.7626 8.8694 8.8694 9.4556 9.4556 9.5529 9.5529 k = 0.0000 0.2045 0.8597 ( 12244 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9946 -25.9946 -11.4243 -11.4243 -10.9908 -10.9908 -10.9363 -10.9363 -10.8229 -10.8229 -9.7024 -9.7024 -9.6512 -9.6512 -9.4533 -9.4533 -9.4241 -9.4241 -9.4065 -9.4065 -9.3636 -9.3636 -1.2910 -1.2910 -1.0999 -1.0999 -0.7730 -0.7730 -0.1096 -0.1096 -0.0266 -0.0266 0.1090 0.1090 0.1700 0.1700 0.2183 0.2183 1.0355 1.0355 1.4516 1.4516 1.8802 1.8802 2.0751 2.0751 2.1481 2.1481 2.2815 2.2815 2.4615 2.4615 2.6277 2.6277 4.7753 4.7753 7.0877 7.0877 8.8209 8.8209 8.9041 8.9041 9.4167 9.4167 9.5765 9.5765 k = 0.0000 0.2273 0.8597 ( 12244 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9947 -25.9947 -11.4183 -11.4183 -10.9992 -10.9992 -10.9334 -10.9334 -10.8260 -10.8260 -9.7002 -9.7002 -9.6521 -9.6521 -9.4505 -9.4505 -9.4236 -9.4236 -9.4070 -9.4070 -9.3656 -9.3656 -1.2776 -1.2776 -1.1106 -1.1106 -0.7661 -0.7661 -0.1072 -0.1072 -0.0295 -0.0295 0.1129 0.1129 0.1727 0.1727 0.2442 0.2442 1.0341 1.0341 1.4142 1.4142 1.8781 1.8781 2.0769 2.0769 2.1364 2.1364 2.2671 2.2671 2.4602 2.4602 2.6298 2.6298 4.7525 4.7525 7.1201 7.1201 8.8839 8.8839 8.9423 8.9423 9.3724 9.3724 9.6015 9.6015 k = 0.0000 0.2500 0.8597 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9947 -25.9947 -11.4119 -11.4119 -11.0079 -11.0079 -10.9303 -10.9303 -10.8294 -10.8294 -9.6980 -9.6980 -9.6532 -9.6532 -9.4474 -9.4474 -9.4231 -9.4231 -9.4075 -9.4075 -9.3679 -9.3679 -1.2639 -1.2639 -1.1211 -1.1211 -0.7586 -0.7586 -0.1060 -0.1060 -0.0323 -0.0323 0.1165 0.1165 0.1754 0.1754 0.2721 0.2721 1.0328 1.0328 1.3759 1.3759 1.8771 1.8771 2.0750 2.0750 2.1237 2.1237 2.2547 2.2547 2.4587 2.4587 2.6320 2.6320 4.7297 4.7297 7.1546 7.1546 8.9509 8.9509 8.9838 8.9838 9.3235 9.3235 9.6274 9.6274 k = 0.0000 0.2727 0.8597 ( 12234 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9947 -25.9947 -11.4053 -11.4053 -11.0170 -11.0170 -10.9269 -10.9269 -10.8330 -10.8330 -9.6956 -9.6956 -9.6543 -9.6543 -9.4442 -9.4442 -9.4225 -9.4225 -9.4081 -9.4081 -9.3703 -9.3703 -1.2504 -1.2504 -1.1311 -1.1311 -0.7504 -0.7504 -0.1060 -0.1060 -0.0348 -0.0348 0.1199 0.1199 0.1781 0.1781 0.3014 0.3014 1.0317 1.0317 1.3375 1.3375 1.8769 1.8769 2.0666 2.0666 2.1131 2.1131 2.2447 2.2447 2.4573 2.4573 2.6343 2.6343 4.7073 4.7073 7.1905 7.1905 9.0200 9.0200 9.0295 9.0295 9.2712 9.2712 9.6538 9.6538 k = 0.0000 0.2955 0.8597 ( 12238 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9947 -25.9947 -11.3984 -11.3984 -11.0261 -11.0261 -10.9233 -10.9233 -10.8367 -10.8367 -9.6932 -9.6932 -9.6555 -9.6555 -9.4408 -9.4408 -9.4219 -9.4219 -9.4087 -9.4087 -9.3729 -9.3729 -1.2373 -1.2373 -1.1404 -1.1404 -0.7417 -0.7417 -0.1069 -0.1069 -0.0370 -0.0370 0.1229 0.1229 0.1807 0.1807 0.3314 0.3314 1.0308 1.0308 1.2999 1.2999 1.8773 1.8773 2.0503 2.0503 2.1068 2.1068 2.2370 2.2370 2.4560 2.4560 2.6366 2.6366 4.6856 4.6856 7.2273 7.2273 9.0739 9.0739 9.0947 9.0947 9.2178 9.2178 9.6800 9.6800 k = 0.0000 0.3182 0.8597 ( 12238 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9947 -25.9947 -11.3916 -11.3916 -11.0352 -11.0352 -10.9196 -10.9196 -10.8407 -10.8407 -9.6907 -9.6907 -9.6568 -9.6568 -9.4373 -9.4373 -9.4213 -9.4213 -9.4093 -9.4093 -9.3757 -9.3757 -1.2251 -1.2251 -1.1489 -1.1489 -0.7327 -0.7327 -0.1085 -0.1085 -0.0391 -0.0391 0.1257 0.1257 0.1831 0.1831 0.3613 0.3613 1.0300 1.0300 1.2638 1.2638 1.8780 1.8780 2.0286 2.0286 2.1036 2.1036 2.2313 2.2313 2.4547 2.4547 2.6388 2.6388 4.6653 4.6653 7.2644 7.2644 9.1234 9.1234 9.1454 9.1454 9.1870 9.1870 9.7057 9.7057 k = 0.0000 0.3409 0.8597 ( 12226 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9948 -25.9948 -11.3849 -11.3849 -11.0440 -11.0440 -10.9157 -10.9157 -10.8447 -10.8447 -9.6883 -9.6883 -9.6582 -9.6582 -9.4337 -9.4337 -9.4207 -9.4207 -9.4099 -9.4099 -9.3786 -9.3786 -1.2141 -1.2141 -1.1561 -1.1561 -0.7235 -0.7235 -0.1106 -0.1106 -0.0409 -0.0409 0.1281 0.1281 0.1854 0.1854 0.3903 0.3903 1.0296 1.0296 1.2299 1.2299 1.8786 1.8786 2.0047 2.0047 2.1016 2.1016 2.2271 2.2271 2.4536 2.4536 2.6409 2.6409 4.6464 4.6464 7.3008 7.3008 9.1015 9.1015 9.1747 9.1747 9.2528 9.2528 9.7303 9.7303 k = 0.0000 0.3636 0.8597 ( 12230 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9948 -25.9948 -11.3784 -11.3784 -11.0523 -11.0523 -10.9116 -10.9116 -10.8489 -10.8489 -9.6858 -9.6858 -9.6597 -9.6597 -9.4300 -9.4300 -9.4200 -9.4200 -9.4106 -9.4106 -9.3817 -9.3817 -1.2050 -1.2050 -1.1617 -1.1617 -0.7145 -0.7145 -0.1130 -0.1130 -0.0424 -0.0424 0.1303 0.1303 0.1873 0.1873 0.4176 0.4176 1.0294 1.0294 1.1991 1.1991 1.8789 1.8789 1.9810 1.9810 2.0999 2.0999 2.2241 2.2241 2.4527 2.4527 2.6427 2.6427 4.6295 4.6295 7.3358 7.3358 9.0504 9.0504 9.2268 9.2268 9.3286 9.3286 9.7533 9.7533 k = 0.0000 0.3864 0.8597 ( 12230 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9948 -25.9948 -11.3724 -11.3724 -11.0599 -11.0599 -10.9076 -10.9076 -10.8531 -10.8531 -9.6834 -9.6834 -9.6613 -9.6613 -9.4263 -9.4263 -9.4193 -9.4193 -9.4112 -9.4112 -9.3849 -9.3849 -1.1985 -1.1985 -1.1650 -1.1650 -0.7060 -0.7060 -0.1154 -0.1154 -0.0438 -0.0438 0.1322 0.1322 0.1889 0.1889 0.4424 0.4424 1.0295 1.0295 1.1718 1.1718 1.8785 1.8785 1.9591 1.9591 2.0985 2.0985 2.2219 2.2219 2.4519 2.4519 2.6444 2.6444 4.6147 4.6147 7.3683 7.3683 9.0028 9.0028 9.2793 9.2793 9.4039 9.4039 9.7742 9.7742 k = 0.0000 0.4091 0.8597 ( 12226 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9948 -25.9948 -11.3672 -11.3672 -11.0666 -11.0666 -10.9036 -10.9036 -10.8572 -10.8572 -9.6811 -9.6811 -9.6629 -9.6629 -9.4227 -9.4227 -9.4185 -9.4185 -9.4118 -9.4118 -9.3882 -9.3882 -1.1953 -1.1953 -1.1655 -1.1655 -0.6982 -0.6982 -0.1178 -0.1178 -0.0448 -0.0448 0.1337 0.1337 0.1901 0.1901 0.4639 0.4639 1.0297 1.0297 1.1488 1.1488 1.8769 1.8769 1.9407 1.9407 2.0972 2.0972 2.2205 2.2205 2.4513 2.4513 2.6458 2.6458 4.6023 4.6023 7.3973 7.3973 8.9607 8.9607 9.3308 9.3308 9.4766 9.4766 9.7925 9.7925 k = 0.0000 0.4318 0.8597 ( 12218 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9949 -25.9949 -11.3628 -11.3628 -11.0721 -11.0721 -10.8998 -10.8998 -10.8611 -10.8611 -9.6789 -9.6789 -9.6646 -9.6646 -9.4195 -9.4195 -9.4177 -9.4177 -9.4122 -9.4122 -9.3914 -9.3914 -1.1948 -1.1948 -1.1638 -1.1638 -0.6917 -0.6917 -0.1198 -0.1198 -0.0457 -0.0457 0.1350 0.1350 0.1911 0.1911 0.4814 0.4814 1.0301 1.0301 1.1304 1.1304 1.8737 1.8737 1.9271 1.9271 2.0961 2.0961 2.2195 2.2195 2.4508 2.4508 2.6469 2.6469 4.5925 4.5925 7.4214 7.4214 8.9259 8.9259 9.3796 9.3796 9.5447 9.5447 9.7968 9.7968 k = 0.0000 0.4545 0.8597 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9949 -25.9949 -11.3595 -11.3595 -11.0763 -11.0763 -10.8965 -10.8965 -10.8645 -10.8645 -9.6769 -9.6769 -9.6661 -9.6661 -9.4176 -9.4176 -9.4163 -9.4163 -9.4121 -9.4121 -9.3945 -9.3945 -1.1954 -1.1954 -1.1616 -1.1616 -0.6868 -0.6868 -0.1214 -0.1214 -0.0463 -0.0463 0.1359 0.1359 0.1917 0.1917 0.4943 0.4943 1.0304 1.0304 1.1170 1.1170 1.8695 1.8695 1.9187 1.9187 2.0952 2.0952 2.2189 2.2189 2.4505 2.4505 2.6477 2.6477 4.5854 4.5854 7.4396 7.4396 8.8999 8.8999 9.4223 9.4223 9.6058 9.6058 9.7743 9.7743 k = 0.0000 0.4773 0.8597 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9949 -25.9949 -11.3574 -11.3574 -11.0788 -11.0788 -10.8940 -10.8940 -10.8669 -10.8669 -9.6754 -9.6754 -9.6675 -9.6675 -9.4168 -9.4168 -9.4156 -9.4156 -9.4110 -9.4110 -9.3970 -9.3970 -1.1962 -1.1962 -1.1599 -1.1599 -0.6837 -0.6837 -0.1225 -0.1225 -0.0466 -0.0466 0.1365 0.1365 0.1921 0.1921 0.5023 0.5023 1.0307 1.0307 1.1089 1.1089 1.8659 1.8659 1.9145 1.9145 2.0946 2.0946 2.2185 2.2185 2.4502 2.4502 2.6482 2.6482 4.5810 4.5810 7.4510 7.4510 8.8837 8.8837 9.4534 9.4534 9.6567 9.6567 9.7475 9.7475 k = 0.0000 0.5000 0.8597 ( 12248 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3567 -11.3567 -11.0797 -11.0797 -10.8931 -10.8931 -10.8679 -10.8679 -9.6747 -9.6747 -9.6681 -9.6681 -9.4165 -9.4165 -9.4156 -9.4156 -9.4102 -9.4102 -9.3980 -9.3980 -1.1965 -1.1965 -1.1593 -1.1593 -0.6826 -0.6826 -0.1228 -0.1228 -0.0467 -0.0467 0.1366 0.1366 0.1922 0.1922 0.5050 0.5050 1.0308 1.0308 1.1061 1.1061 1.8644 1.8644 1.9133 1.9133 2.0944 2.0944 2.2184 2.2184 2.4501 2.4501 2.6483 2.6483 4.5795 4.5795 7.4549 7.4549 8.8782 8.8782 9.4651 9.4651 9.6841 9.6841 9.7294 9.7294 k = 0.0000 0.5000 0.8597 ( 12248 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3567 -11.3567 -11.0797 -11.0797 -10.8931 -10.8931 -10.8679 -10.8679 -9.6747 -9.6747 -9.6681 -9.6681 -9.4165 -9.4165 -9.4156 -9.4156 -9.4102 -9.4102 -9.3980 -9.3980 -1.1965 -1.1965 -1.1593 -1.1593 -0.6826 -0.6826 -0.1228 -0.1228 -0.0467 -0.0467 0.1366 0.1366 0.1922 0.1922 0.5050 0.5050 1.0308 1.0308 1.1061 1.1061 1.8644 1.8644 1.9133 1.9133 2.0944 2.0944 2.2184 2.2184 2.4501 2.4501 2.6483 2.6483 4.5795 4.5795 7.4549 7.4549 8.8782 8.8782 9.4651 9.4651 9.6841 9.6841 9.7294 9.7294 k = 0.0227 0.5000 0.8597 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3563 -11.3563 -11.0795 -11.0795 -10.8936 -10.8936 -10.8681 -10.8681 -9.6746 -9.6746 -9.6681 -9.6681 -9.4165 -9.4165 -9.4156 -9.4156 -9.4101 -9.4101 -9.3980 -9.3980 -1.1969 -1.1969 -1.1587 -1.1587 -0.6825 -0.6825 -0.1205 -0.1205 -0.0467 -0.0467 0.1335 0.1335 0.1956 0.1956 0.5049 0.5049 1.0305 1.0305 1.1065 1.1065 1.8629 1.8629 1.9079 1.9079 2.0971 2.0971 2.2186 2.2186 2.4505 2.4505 2.6483 2.6483 4.5768 4.5768 7.4565 7.4565 8.8798 8.8798 9.4661 9.4661 9.6872 9.6872 9.7349 9.7349 k = 0.0455 0.5000 0.8597 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3552 -11.3552 -11.0789 -11.0789 -10.8952 -10.8952 -10.8688 -10.8688 -9.6745 -9.6745 -9.6681 -9.6681 -9.4165 -9.4165 -9.4156 -9.4156 -9.4098 -9.4098 -9.3979 -9.3979 -1.1985 -1.1985 -1.1567 -1.1567 -0.6823 -0.6823 -0.1137 -0.1137 -0.0466 -0.0466 0.1257 0.1257 0.2042 0.2042 0.5048 0.5048 1.0298 1.0298 1.1074 1.1074 1.8581 1.8581 1.8929 1.8929 2.1040 2.1040 2.2191 2.2191 2.4517 2.4517 2.6482 2.6482 4.5685 4.5685 7.4611 7.4611 8.8845 8.8845 9.4691 9.4691 9.6960 9.6960 9.7508 9.7508 k = 0.0682 0.5000 0.8597 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3533 -11.3533 -11.0779 -11.0779 -10.8979 -10.8979 -10.8699 -10.8699 -9.6743 -9.6743 -9.6680 -9.6680 -9.4166 -9.4166 -9.4157 -9.4157 -9.4093 -9.4093 -9.3977 -9.3977 -1.2016 -1.2016 -1.1529 -1.1529 -0.6819 -0.6819 -0.1025 -0.1025 -0.0465 -0.0465 0.1158 0.1158 0.2155 0.2155 0.5047 0.5047 1.0285 1.0285 1.1090 1.1090 1.8490 1.8490 1.8715 1.8715 2.1133 2.1133 2.2199 2.2199 2.4535 2.4535 2.6480 2.6480 4.5550 4.5550 7.4689 7.4689 8.8922 8.8922 9.4740 9.4740 9.7088 9.7088 9.7657 9.7657 k = 0.0909 0.5000 0.8597 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3507 -11.3507 -11.0765 -11.0765 -10.9015 -10.9015 -10.8715 -10.8715 -9.6740 -9.6740 -9.6680 -9.6680 -9.4167 -9.4167 -9.4157 -9.4157 -9.4087 -9.4087 -9.3975 -9.3975 -1.2067 -1.2067 -1.1467 -1.1467 -0.6813 -0.6813 -0.0873 -0.0873 -0.0463 -0.0463 0.1052 0.1052 0.2280 0.2280 0.5045 0.5045 1.0268 1.0268 1.1111 1.1111 1.8312 1.8312 1.8504 1.8504 2.1231 2.1231 2.2210 2.2210 2.4561 2.4561 2.6478 2.6478 4.5365 4.5365 7.4796 7.4796 8.9031 8.9031 9.4807 9.4807 9.7215 9.7215 9.7742 9.7742 k = 0.1136 0.5000 0.8597 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3474 -11.3474 -11.0748 -11.0748 -10.9061 -10.9061 -10.8735 -10.8735 -9.6736 -9.6736 -9.6679 -9.6679 -9.4168 -9.4168 -9.4158 -9.4158 -9.4079 -9.4079 -9.3973 -9.3973 -1.2135 -1.2135 -1.1382 -1.1382 -0.6806 -0.6806 -0.0685 -0.0685 -0.0459 -0.0459 0.0945 0.0945 0.2410 0.2410 0.5043 0.5043 1.0246 1.0246 1.1138 1.1138 1.8017 1.8017 1.8342 1.8342 2.1324 2.1324 2.2220 2.2220 2.4592 2.4592 2.6475 2.6475 4.5136 4.5136 7.4930 7.4930 8.9170 8.9170 9.4892 9.4892 9.7294 9.7294 9.7895 9.7895 k = 0.1364 0.5000 0.8597 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3434 -11.3434 -11.0727 -11.0727 -10.9117 -10.9117 -10.8760 -10.8760 -9.6732 -9.6732 -9.6679 -9.6679 -9.4169 -9.4169 -9.4159 -9.4159 -9.4070 -9.4070 -9.3969 -9.3969 -1.2218 -1.2218 -1.1276 -1.1276 -0.6796 -0.6796 -0.0503 -0.0503 -0.0417 -0.0417 0.0841 0.0841 0.2542 0.2542 0.5042 0.5042 1.0221 1.0221 1.1169 1.1169 1.7667 1.7667 1.8180 1.8180 2.1406 2.1406 2.2230 2.2230 2.4628 2.4628 2.6473 2.6473 4.4869 4.4869 7.5092 7.5092 8.9340 8.9340 9.4994 9.4994 9.7320 9.7320 9.8105 9.8105 k = 0.1591 0.5000 0.8597 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3387 -11.3387 -11.0703 -11.0703 -10.9181 -10.9181 -10.8788 -10.8788 -9.6727 -9.6727 -9.6678 -9.6678 -9.4170 -9.4170 -9.4160 -9.4160 -9.4060 -9.4060 -9.3966 -9.3966 -1.2313 -1.2313 -1.1150 -1.1150 -0.6785 -0.6785 -0.0475 -0.0475 -0.0193 -0.0193 0.0743 0.0743 0.2672 0.2672 0.5043 0.5043 1.0192 1.0192 1.1204 1.1204 1.7291 1.7291 1.7999 1.7999 2.1477 2.1477 2.2238 2.2238 2.4668 2.4668 2.6471 2.6471 4.4571 4.4571 7.5277 7.5277 8.9539 8.9539 9.5111 9.5111 9.7315 9.7315 9.8334 9.8334 k = 0.1818 0.5000 0.8597 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3334 -11.3334 -11.0676 -11.0676 -10.9252 -10.9252 -10.8819 -10.8819 -9.6722 -9.6722 -9.6677 -9.6677 -9.4170 -9.4170 -9.4161 -9.4161 -9.4049 -9.4049 -9.3962 -9.3962 -1.2415 -1.2415 -1.1008 -1.1008 -0.6771 -0.6771 -0.0474 -0.0474 0.0079 0.0079 0.0652 0.0652 0.2799 0.2799 0.5046 0.5046 1.0161 1.0161 1.1242 1.1242 1.6902 1.6902 1.7795 1.7795 2.1536 2.1536 2.2242 2.2242 2.4710 2.4710 2.6470 2.6470 4.4248 4.4248 7.5483 7.5483 8.9767 8.9767 9.5241 9.5241 9.7293 9.7293 9.8566 9.8566 k = 0.2045 0.5000 0.8597 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3276 -11.3276 -11.0646 -11.0646 -10.9330 -10.9330 -10.8854 -10.8854 -9.6717 -9.6717 -9.6676 -9.6676 -9.4171 -9.4171 -9.4162 -9.4162 -9.4038 -9.4038 -9.3958 -9.3958 -1.2522 -1.2522 -1.0853 -1.0853 -0.6754 -0.6754 -0.0476 -0.0476 0.0370 0.0370 0.0569 0.0569 0.2921 0.2921 0.5053 0.5053 1.0127 1.0127 1.1282 1.1282 1.6507 1.6507 1.7570 1.7570 2.1585 2.1585 2.2244 2.2244 2.4754 2.4754 2.6470 2.6470 4.3907 4.3907 7.5707 7.5707 9.0022 9.0022 9.5382 9.5382 9.7264 9.7264 9.8797 9.8797 k = 0.2273 0.5000 0.8597 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3213 -11.3213 -11.0613 -11.0613 -10.9414 -10.9414 -10.8891 -10.8891 -9.6711 -9.6711 -9.6675 -9.6675 -9.4171 -9.4171 -9.4163 -9.4163 -9.4027 -9.4027 -9.3954 -9.3954 -1.2631 -1.2631 -1.0689 -1.0689 -0.6735 -0.6735 -0.0482 -0.0482 0.0492 0.0492 0.0676 0.0676 0.3036 0.3036 0.5065 0.5065 1.0093 1.0093 1.1321 1.1321 1.6115 1.6115 1.7325 1.7325 2.1623 2.1623 2.2241 2.2241 2.4798 2.4798 2.6470 2.6470 4.3558 4.3558 7.5946 7.5946 9.0305 9.0305 9.5532 9.5532 9.7229 9.7229 9.9028 9.9028 k = 0.2500 0.5000 0.8597 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3146 -11.3146 -11.0578 -11.0578 -10.9502 -10.9502 -10.8931 -10.8931 -9.6706 -9.6706 -9.6674 -9.6674 -9.4171 -9.4171 -9.4164 -9.4164 -9.4015 -9.4015 -9.3949 -9.3949 -1.2739 -1.2739 -1.0518 -1.0518 -0.6712 -0.6712 -0.0489 -0.0489 0.0427 0.0427 0.0983 0.0983 0.3143 0.3143 0.5084 0.5084 1.0059 1.0059 1.1360 1.1360 1.5732 1.5732 1.7062 1.7062 2.1653 2.1653 2.2236 2.2236 2.4840 2.4840 2.6472 2.6472 4.3206 4.3206 7.6196 7.6196 9.0612 9.0612 9.5688 9.5688 9.7191 9.7191 9.9261 9.9261 k = 0.2727 0.5000 0.8597 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3075 -11.3075 -11.0541 -11.0541 -10.9594 -10.9594 -10.8973 -10.8973 -9.6700 -9.6700 -9.6673 -9.6673 -9.4171 -9.4171 -9.4165 -9.4165 -9.4004 -9.4004 -9.3945 -9.3945 -1.2844 -1.2844 -1.0344 -1.0344 -0.6687 -0.6687 -0.0500 -0.0500 0.0372 0.0372 0.1288 0.1288 0.3240 0.3240 0.5111 0.5111 1.0025 1.0025 1.1396 1.1396 1.5367 1.5367 1.6785 1.6785 2.1674 2.1674 2.2230 2.2230 2.4880 2.4880 2.6474 2.6474 4.2858 4.2858 7.6451 7.6451 9.0943 9.0943 9.5847 9.5847 9.7152 9.7152 9.9492 9.9492 k = 0.2955 0.5000 0.8597 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3003 -11.3003 -11.0504 -11.0504 -10.9686 -10.9686 -10.9015 -10.9015 -9.6695 -9.6695 -9.6672 -9.6672 -9.4171 -9.4171 -9.4166 -9.4166 -9.3993 -9.3993 -9.3940 -9.3940 -1.2944 -1.2944 -1.0172 -1.0172 -0.6659 -0.6659 -0.0512 -0.0512 0.0325 0.0325 0.1583 0.1583 0.3326 0.3326 0.5150 0.5150 0.9994 0.9994 1.1427 1.1427 1.5026 1.5026 1.6497 1.6497 2.1687 2.1687 2.2223 2.2223 2.4918 2.4918 2.6477 2.6477 4.2522 4.2522 7.6707 7.6707 9.1295 9.1295 9.6006 9.6006 9.7114 9.7114 9.9721 9.9721 k = 0.3182 0.5000 0.8597 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2929 -11.2929 -11.0465 -11.0465 -10.9779 -10.9779 -10.9058 -10.9058 -9.6691 -9.6691 -9.6671 -9.6671 -9.4171 -9.4171 -9.4167 -9.4167 -9.3984 -9.3984 -9.3936 -9.3936 -1.3037 -1.3037 -1.0005 -1.0005 -0.6627 -0.6627 -0.0526 -0.0526 0.0288 0.0288 0.1860 0.1860 0.3400 0.3400 0.5200 0.5200 0.9964 0.9964 1.1452 1.1452 1.4716 1.4716 1.6202 1.6202 2.1693 2.1693 2.2218 2.2218 2.4952 2.4952 2.6481 2.6481 4.2204 4.2204 7.6959 7.6959 9.1663 9.1663 9.6162 9.6162 9.7076 9.7076 9.9944 9.9944 k = 0.3409 0.5000 0.8597 ( 12244 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2856 -11.2856 -11.0428 -11.0428 -10.9870 -10.9870 -10.9101 -10.9101 -9.6686 -9.6686 -9.6670 -9.6670 -9.4171 -9.4171 -9.4168 -9.4168 -9.3975 -9.3975 -9.3931 -9.3931 -1.3122 -1.3122 -0.9848 -0.9848 -0.6594 -0.6594 -0.0541 -0.0541 0.0258 0.0258 0.2113 0.2113 0.3463 0.3463 0.5263 0.5263 0.9938 0.9938 1.1470 1.1470 1.4445 1.4445 1.5907 1.5907 2.1693 2.1693 2.2214 2.2214 2.4982 2.4982 2.6485 2.6485 4.1909 4.1909 7.7202 7.7202 9.2043 9.2043 9.6310 9.6310 9.7039 9.7039 10.0156 10.0156 k = 0.3636 0.5000 0.8597 ( 12256 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2786 -11.2786 -11.0391 -11.0391 -10.9956 -10.9956 -10.9142 -10.9142 -9.6682 -9.6682 -9.6669 -9.6669 -9.4171 -9.4171 -9.4169 -9.4169 -9.3967 -9.3967 -9.3927 -9.3927 -1.3198 -1.3198 -0.9704 -0.9704 -0.6560 -0.6560 -0.0556 -0.0556 0.0236 0.0236 0.2333 0.2333 0.3515 0.3515 0.5336 0.5336 0.9916 0.9916 1.1480 1.1480 1.4216 1.4216 1.5618 1.5618 2.1687 2.1687 2.2212 2.2212 2.5008 2.5008 2.6489 2.6489 4.1643 4.1643 7.7428 7.7428 9.2429 9.2429 9.6448 9.6448 9.7005 9.7005 10.0354 10.0354 k = 0.3864 0.5000 0.8597 ( 12264 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2720 -11.2720 -11.0358 -11.0358 -11.0035 -11.0035 -10.9181 -10.9181 -9.6679 -9.6679 -9.6668 -9.6668 -9.4171 -9.4171 -9.4169 -9.4169 -9.3960 -9.3960 -9.3922 -9.3922 -1.3264 -1.3264 -0.9577 -0.9577 -0.6526 -0.6526 -0.0571 -0.0571 0.0219 0.0219 0.2518 0.2518 0.3557 0.3557 0.5417 0.5417 0.9899 0.9899 1.1483 1.1483 1.4033 1.4033 1.5341 1.5341 2.1679 2.1679 2.2212 2.2212 2.5031 2.5031 2.6493 2.6493 4.1410 4.1410 7.7633 7.7633 9.2810 9.2810 9.6571 9.6571 9.6974 9.6974 10.0532 10.0532 k = 0.4091 0.5000 0.8597 ( 12268 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2660 -11.2660 -11.0329 -11.0329 -11.0104 -11.0104 -10.9215 -10.9215 -9.6677 -9.6677 -9.6667 -9.6667 -9.4171 -9.4171 -9.4170 -9.4170 -9.3955 -9.3955 -9.3918 -9.3918 -1.3319 -1.3319 -0.9469 -0.9469 -0.6493 -0.6493 -0.0584 -0.0584 0.0208 0.0208 0.2665 0.2665 0.3591 0.3591 0.5498 0.5498 0.9886 0.9886 1.1480 1.1480 1.3897 1.3897 1.5086 1.5086 2.1670 2.1670 2.2214 2.2214 2.5049 2.5049 2.6497 2.6497 4.1213 4.1213 7.7810 7.7810 9.3174 9.3174 9.6677 9.6677 9.6945 9.6945 10.0685 10.0685 k = 0.4318 0.5000 0.8597 ( 12276 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2611 -11.2611 -11.0308 -11.0308 -11.0158 -11.0158 -10.9244 -10.9244 -9.6675 -9.6675 -9.6666 -9.6666 -9.4171 -9.4171 -9.4170 -9.4170 -9.3951 -9.3951 -9.3915 -9.3915 -1.3362 -1.3362 -0.9383 -0.9383 -0.6465 -0.6465 -0.0594 -0.0594 0.0200 0.0200 0.2774 0.2774 0.3618 0.3618 0.5572 0.5572 0.9877 0.9877 1.1474 1.1474 1.3805 1.3805 1.4864 1.4864 2.1660 2.1660 2.2215 2.2215 2.5063 2.5063 2.6500 2.6500 4.1057 4.1057 7.7954 7.7954 9.3501 9.3501 9.6763 9.6763 9.6920 9.6920 10.0796 10.0797 k = 0.4545 0.5000 0.8597 ( 12280 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2573 -11.2573 -11.0297 -11.0297 -11.0192 -11.0192 -10.9267 -10.9267 -9.6674 -9.6674 -9.6665 -9.6665 -9.4171 -9.4171 -9.4170 -9.4170 -9.3948 -9.3948 -9.3912 -9.3912 -1.3393 -1.3393 -0.9320 -0.9320 -0.6444 -0.6444 -0.0602 -0.0602 0.0195 0.0195 0.2848 0.2848 0.3638 0.3638 0.5633 0.5633 0.9872 0.9872 1.1468 1.1468 1.3752 1.3752 1.4687 1.4687 2.1652 2.1652 2.2217 2.2217 2.5073 2.5073 2.6503 2.6503 4.0944 4.0944 7.8061 7.8061 9.3767 9.3767 9.6825 9.6825 9.6900 9.6900 10.0595 10.0595 k = 0.4773 0.5000 0.8597 ( 12272 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2549 -11.2549 -11.0298 -11.0298 -11.0207 -11.0207 -10.9281 -10.9281 -9.6673 -9.6673 -9.6664 -9.6664 -9.4171 -9.4171 -9.4170 -9.4170 -9.3947 -9.3947 -9.3911 -9.3911 -1.3412 -1.3412 -0.9282 -0.9282 -0.6430 -0.6430 -0.0607 -0.0607 0.0192 0.0192 0.2890 0.2890 0.3650 0.3650 0.5672 0.5672 0.9869 0.9869 1.1463 1.1463 1.3728 1.3728 1.4571 1.4571 2.1647 2.1647 2.2218 2.2218 2.5079 2.5079 2.6504 2.6504 4.0876 4.0876 7.8126 7.8126 9.3944 9.3944 9.6859 9.6859 9.6890 9.6890 10.0453 10.0453 k = 0.5000 0.5000 0.8597 ( 12248 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2541 -11.2541 -11.0300 -11.0300 -11.0210 -11.0210 -10.9285 -10.9285 -9.6673 -9.6673 -9.6664 -9.6664 -9.4171 -9.4171 -9.4170 -9.4170 -9.3946 -9.3946 -9.3910 -9.3910 -1.3418 -1.3418 -0.9269 -0.9269 -0.6425 -0.6425 -0.0609 -0.0609 0.0191 0.0191 0.2904 0.2904 0.3655 0.3655 0.5686 0.5686 0.9868 0.9868 1.1461 1.1461 1.3722 1.3722 1.4531 1.4531 2.1646 2.1646 2.2219 2.2219 2.5082 2.5082 2.6505 2.6505 4.0853 4.0853 7.8148 7.8148 9.4006 9.4006 9.6866 9.6866 9.6891 9.6891 10.0395 10.0395 k = 0.5000 0.5000 0.8597 ( 12248 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2541 -11.2541 -11.0300 -11.0300 -11.0210 -11.0210 -10.9285 -10.9285 -9.6673 -9.6673 -9.6664 -9.6664 -9.4171 -9.4171 -9.4170 -9.4170 -9.3946 -9.3946 -9.3910 -9.3910 -1.3418 -1.3418 -0.9269 -0.9269 -0.6425 -0.6425 -0.0609 -0.0609 0.0191 0.0191 0.2904 0.2904 0.3655 0.3655 0.5686 0.5686 0.9868 0.9868 1.1461 1.1461 1.3722 1.3722 1.4531 1.4531 2.1646 2.1646 2.2219 2.2219 2.5082 2.5082 2.6505 2.6505 4.0853 4.0853 7.8148 7.8148 9.4006 9.4006 9.6866 9.6866 9.6891 9.6891 10.0395 10.0395 k = 0.4833 0.4833 0.8597 ( 12272 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2550 -11.2550 -11.0297 -11.0297 -11.0207 -11.0207 -10.9280 -10.9280 -9.6674 -9.6674 -9.6664 -9.6664 -9.4171 -9.4171 -9.4170 -9.4170 -9.3947 -9.3947 -9.3911 -9.3911 -1.3412 -1.3412 -0.9283 -0.9283 -0.6430 -0.6430 -0.0607 -0.0607 0.0192 0.0192 0.2889 0.2889 0.3650 0.3650 0.5671 0.5671 0.9869 0.9869 1.1463 1.1463 1.3729 1.3729 1.4575 1.4575 2.1647 2.1647 2.2218 2.2218 2.5079 2.5079 2.6504 2.6504 4.0878 4.0878 7.8124 7.8124 9.3940 9.3940 9.6846 9.6846 9.6903 9.6903 10.0439 10.0439 k = 0.4667 0.4667 0.8597 ( 12280 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2576 -11.2576 -11.0289 -11.0289 -11.0199 -11.0199 -10.9265 -10.9265 -9.6675 -9.6675 -9.6664 -9.6664 -9.4172 -9.4172 -9.4169 -9.4169 -9.3949 -9.3949 -9.3912 -9.3912 -1.3391 -1.3391 -0.9324 -0.9324 -0.6446 -0.6446 -0.0602 -0.0602 0.0195 0.0195 0.2845 0.2845 0.3636 0.3636 0.5627 0.5627 0.9872 0.9872 1.1471 1.1471 1.3751 1.3751 1.4701 1.4701 2.1653 2.1653 2.2216 2.2216 2.5073 2.5073 2.6503 2.6503 4.0951 4.0951 7.8053 7.8053 9.3759 9.3759 9.6760 9.6760 9.6963 9.6963 10.0488 10.0488 k = 0.4500 0.4500 0.8597 ( 12272 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2617 -11.2617 -11.0276 -11.0276 -11.0186 -11.0186 -10.9240 -10.9240 -9.6679 -9.6679 -9.6662 -9.6662 -9.4174 -9.4174 -9.4167 -9.4167 -9.3955 -9.3955 -9.3912 -9.3912 -1.3358 -1.3358 -0.9391 -0.9391 -0.6471 -0.6471 -0.0593 -0.0593 0.0200 0.0200 0.2774 0.2774 0.3612 0.3612 0.5555 0.5555 0.9876 0.9876 1.1488 1.1488 1.3796 1.3796 1.4899 1.4899 2.1663 2.1663 2.2214 2.2214 2.5062 2.5062 2.6500 2.6500 4.1073 4.1073 7.7933 7.7933 9.3505 9.3505 9.6615 9.6615 9.7063 9.7063 10.0542 10.0542 k = 0.4333 0.4333 0.8597 ( 12260 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2673 -11.2673 -11.0259 -11.0259 -11.0168 -11.0168 -10.9206 -10.9206 -9.6685 -9.6685 -9.6659 -9.6659 -9.4176 -9.4176 -9.4164 -9.4164 -9.3966 -9.3966 -9.3909 -9.3909 -1.3311 -1.3311 -0.9483 -0.9483 -0.6506 -0.6506 -0.0582 -0.0582 0.0208 0.0208 0.2675 0.2675 0.3579 0.3579 0.5456 0.5456 0.9884 0.9884 1.1518 1.1518 1.3868 1.3868 1.5155 1.5155 2.1676 2.1676 2.2210 2.2210 2.5048 2.5048 2.6496 2.6496 4.1241 4.1241 7.7766 7.7766 9.3222 9.3222 9.6414 9.6414 9.7201 9.7201 10.0613 10.0626 k = 0.4167 0.4167 0.8597 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9949 -25.9949 -11.2742 -11.2742 -11.0238 -11.0238 -11.0145 -11.0145 -10.9163 -10.9163 -9.6694 -9.6694 -9.6655 -9.6655 -9.4180 -9.4180 -9.4161 -9.4161 -9.3981 -9.3981 -9.3903 -9.3903 -1.3251 -1.3251 -0.9600 -0.9600 -0.6550 -0.6550 -0.0568 -0.0568 0.0218 0.0218 0.2552 0.2552 0.3536 0.3536 0.5332 0.5332 0.9894 0.9894 1.1567 1.1567 1.3967 1.3967 1.5457 1.5457 2.1693 2.1693 2.2204 2.2204 2.5029 2.5029 2.6491 2.6491 4.1454 4.1454 7.7552 7.7552 9.2947 9.2947 9.6161 9.6161 9.7373 9.7373 10.0422 10.0422 k = 0.4000 0.4000 0.8597 ( 12240 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9949 -25.9949 -11.2821 -11.2821 -11.0215 -11.0215 -11.0119 -11.0119 -10.9113 -10.9113 -9.6704 -9.6704 -9.6649 -9.6649 -9.4184 -9.4184 -9.4157 -9.4157 -9.3999 -9.3999 -9.3895 -9.3895 -1.3178 -1.3178 -0.9738 -0.9738 -0.6602 -0.6602 -0.0553 -0.0553 0.0233 0.0233 0.2407 0.2407 0.3483 0.3483 0.5185 0.5185 0.9907 0.9907 1.1636 1.1636 1.4094 1.4094 1.5797 1.5797 2.1714 2.1714 2.2196 2.2196 2.5008 2.5008 2.6485 2.6485 4.1706 4.1706 7.7291 7.7291 9.2702 9.2702 9.5859 9.5859 9.7578 9.7578 10.0153 10.0153 k = 0.3833 0.3833 0.8597 ( 12230 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9949 -25.9949 -11.2908 -11.2908 -11.0189 -11.0189 -11.0090 -11.0090 -10.9058 -10.9058 -9.6717 -9.6717 -9.6643 -9.6643 -9.4189 -9.4189 -9.4153 -9.4153 -9.4021 -9.4021 -9.3885 -9.3885 -1.3094 -1.3094 -0.9896 -0.9896 -0.6662 -0.6662 -0.0536 -0.0536 0.0251 0.0251 0.2242 0.2242 0.3419 0.3419 0.5020 0.5020 0.9924 0.9924 1.1729 1.1729 1.4246 1.4246 1.6167 1.6167 2.1738 2.1738 2.2185 2.2185 2.4983 2.4983 2.6477 2.6477 4.1996 4.1996 7.6987 7.6987 9.2504 9.2504 9.5513 9.5513 9.7811 9.7811 9.9818 9.9818 k = 0.3667 0.3667 0.8597 ( 12230 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9949 -25.9949 -11.3002 -11.3002 -11.0161 -11.0161 -11.0059 -11.0059 -10.8997 -10.8997 -9.6731 -9.6731 -9.6636 -9.6636 -9.4196 -9.4196 -9.4149 -9.4149 -9.4045 -9.4045 -9.3873 -9.3873 -1.2999 -1.2999 -1.0071 -1.0071 -0.6729 -0.6729 -0.0519 -0.0519 0.0275 0.0275 0.2060 0.2060 0.3346 0.3346 0.4837 0.4837 0.9944 0.9944 1.1846 1.1846 1.4423 1.4423 1.6561 1.6561 2.1765 2.1765 2.2171 2.2171 2.4956 2.4956 2.6468 2.6468 4.2320 4.2320 7.6642 7.6642 9.2362 9.2362 9.5127 9.5127 9.8067 9.8067 9.9409 9.9409 k = 0.3500 0.3500 0.8597 ( 12234 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9949 -25.9949 -11.3100 -11.3100 -11.0130 -11.0130 -11.0026 -11.0026 -10.8934 -10.8934 -9.6747 -9.6747 -9.6628 -9.6628 -9.4204 -9.4204 -9.4145 -9.4145 -9.4069 -9.4069 -9.3860 -9.3860 -1.2893 -1.2893 -1.0261 -1.0261 -0.6801 -0.6801 -0.0502 -0.0502 0.0303 0.0303 0.1864 0.1864 0.3262 0.3262 0.4639 0.4639 0.9968 0.9968 1.1987 1.1987 1.4621 1.4621 1.6971 1.6971 2.1795 2.1795 2.2153 2.2153 2.4927 2.4927 2.6458 2.6458 4.2672 4.2672 7.6261 7.6261 9.2280 9.2280 9.4708 9.4708 9.8311 9.8311 9.8947 9.8947 k = 0.3333 0.3333 0.8597 ( 12226 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9948 -25.9948 -11.3202 -11.3202 -11.0097 -11.0097 -10.9991 -10.9991 -10.8868 -10.8868 -9.6764 -9.6764 -9.6619 -9.6619 -9.4214 -9.4214 -9.4144 -9.4144 -9.4092 -9.4092 -9.3845 -9.3845 -1.2776 -1.2776 -1.0463 -1.0463 -0.6877 -0.6877 -0.0485 -0.0485 0.0336 0.0336 0.1658 0.1658 0.3170 0.3170 0.4430 0.4430 0.9994 0.9994 1.2150 1.2150 1.4839 1.4839 1.7394 1.7394 2.1827 2.1827 2.2132 2.2132 2.4896 2.4896 2.6447 2.6447 4.3049 4.3049 7.5850 7.5850 9.2257 9.2257 9.4261 9.4261 9.8157 9.8157 9.8802 9.8802 k = 0.3167 0.3167 0.8597 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9948 -25.9948 -11.3305 -11.3305 -11.0063 -11.0063 -10.9956 -10.9956 -10.8801 -10.8801 -9.6783 -9.6783 -9.6610 -9.6610 -9.4228 -9.4228 -9.4148 -9.4148 -9.4106 -9.4106 -9.3829 -9.3829 -1.2652 -1.2652 -1.0674 -1.0674 -0.6957 -0.6957 -0.0468 -0.0468 0.0374 0.0374 0.1444 0.1444 0.3069 0.3069 0.4212 0.4212 1.0023 1.0023 1.2335 1.2335 1.5074 1.5074 1.7823 1.7823 2.1860 2.1860 2.2107 2.2107 2.4866 2.4866 2.6434 2.6434 4.3446 4.3446 7.5414 7.5414 9.2292 9.2292 9.3791 9.3791 9.7483 9.7483 9.9082 9.9082 k = 0.3000 0.3000 0.8597 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9948 -25.9948 -11.3409 -11.3409 -11.0027 -11.0027 -10.9920 -10.9920 -10.8734 -10.8734 -9.6804 -9.6804 -9.6600 -9.6600 -9.4246 -9.4246 -9.4161 -9.4161 -9.4110 -9.4110 -9.3811 -9.3811 -1.2519 -1.2519 -1.0892 -1.0892 -0.7039 -0.7039 -0.0452 -0.0452 0.0414 0.0414 0.1227 0.1227 0.2961 0.2961 0.3988 0.3988 1.0053 1.0053 1.2538 1.2538 1.5325 1.5325 1.8254 1.8254 2.1889 2.1889 2.2082 2.2082 2.4835 2.4835 2.6420 2.6420 4.3858 4.3858 7.4960 7.4960 9.2379 9.2379 9.3306 9.3306 9.6666 9.6666 9.9403 9.9403 k = 0.2833 0.2833 0.8597 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9948 -25.9948 -11.3511 -11.3511 -10.9990 -10.9990 -10.9883 -10.9883 -10.8669 -10.8669 -9.6826 -9.6826 -9.6590 -9.6590 -9.4270 -9.4270 -9.4176 -9.4176 -9.4108 -9.4108 -9.3792 -9.3792 -1.2381 -1.2381 -1.1112 -1.1112 -0.7122 -0.7122 -0.0435 -0.0435 0.0455 0.0455 0.1011 0.1011 0.2846 0.2846 0.3759 0.3759 1.0085 1.0085 1.2759 1.2759 1.5588 1.5588 1.8682 1.8682 2.1903 2.1903 2.2069 2.2069 2.4806 2.4806 2.6405 2.6405 4.4280 4.4280 7.4494 7.4494 9.2512 9.2512 9.2810 9.2810 9.5765 9.5765 9.9440 9.9440 k = 0.2667 0.2667 0.8597 ( 12228 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9948 -25.9948 -11.3613 -11.3613 -10.9952 -10.9952 -10.9847 -10.9847 -10.8605 -10.8605 -9.6849 -9.6849 -9.6580 -9.6580 -9.4299 -9.4299 -9.4188 -9.4188 -9.4103 -9.4103 -9.3773 -9.3773 -1.2240 -1.2240 -1.1332 -1.1332 -0.7206 -0.7206 -0.0419 -0.0419 0.0485 0.0485 0.0808 0.0808 0.2726 0.2726 0.3529 0.3529 1.0118 1.0118 1.2995 1.2995 1.5861 1.5861 1.9102 1.9102 2.1886 2.1886 2.2084 2.2084 2.4778 2.4778 2.6388 2.6388 4.4708 4.4708 7.4022 7.4022 9.2310 9.2310 9.2683 9.2683 9.4819 9.4819 9.8933 9.8933 k = 0.2500 0.2500 0.8597 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9948 -25.9948 -11.3711 -11.3711 -10.9914 -10.9914 -10.9810 -10.9810 -10.8544 -10.8544 -9.6872 -9.6872 -9.6570 -9.6570 -9.4331 -9.4331 -9.4199 -9.4199 -9.4098 -9.4098 -9.3753 -9.3753 -1.2102 -1.2102 -1.1542 -1.1542 -0.7289 -0.7289 -0.0402 -0.0402 0.0447 0.0447 0.0677 0.0677 0.2603 0.2603 0.3299 0.3299 1.0151 1.0151 1.3244 1.3244 1.6143 1.6143 1.9508 1.9508 2.1838 2.1838 2.2126 2.2126 2.4752 2.4752 2.6371 2.6371 4.5135 4.5135 7.3552 7.3552 9.1812 9.1812 9.2866 9.2866 9.3874 9.3874 9.8417 9.8417 k = 0.2333 0.2333 0.8597 ( 12244 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9947 -25.9947 -11.3807 -11.3807 -10.9876 -10.9876 -10.9773 -10.9773 -10.8486 -10.8486 -9.6897 -9.6897 -9.6559 -9.6559 -9.4364 -9.4364 -9.4207 -9.4207 -9.4092 -9.4092 -9.3733 -9.3733 -1.2004 -1.2004 -1.1705 -1.1705 -0.7371 -0.7371 -0.0385 -0.0385 0.0285 0.0285 0.0675 0.0675 0.2477 0.2477 0.3071 0.3071 1.0183 1.0183 1.3502 1.3502 1.6429 1.6429 1.9894 1.9894 2.1770 2.1770 2.2186 2.2186 2.4730 2.4730 2.6353 2.6353 4.5558 4.5558 7.3087 7.3087 9.1319 9.1319 9.2731 9.2731 9.3282 9.3282 9.7933 9.7933 k = 0.2167 0.2167 0.8597 ( 12244 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9947 -25.9947 -11.3898 -11.3898 -10.9838 -10.9838 -10.9737 -10.9737 -10.8431 -10.8431 -9.6921 -9.6921 -9.6549 -9.6549 -9.4398 -9.4398 -9.4215 -9.4215 -9.4087 -9.4087 -9.3712 -9.3712 -1.2076 -1.2076 -1.1691 -1.1691 -0.7450 -0.7450 -0.0367 -0.0367 0.0087 0.0087 0.0714 0.0714 0.2351 0.2351 0.2849 0.2849 1.0215 1.0215 1.3767 1.3767 1.6718 1.6718 2.0254 2.0254 2.1689 2.1689 2.2261 2.2261 2.4711 2.4711 2.6334 2.6334 4.5972 4.5972 7.2633 7.2633 9.0839 9.0839 9.1872 9.1872 9.3455 9.3455 9.7480 9.7480 k = 0.2000 0.2000 0.8597 ( 12234 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9947 -25.9947 -11.3985 -11.3985 -10.9801 -10.9801 -10.9701 -10.9701 -10.8380 -10.8380 -9.6946 -9.6946 -9.6539 -9.6539 -9.4432 -9.4432 -9.4222 -9.4222 -9.4081 -9.4081 -9.3692 -9.3692 -1.2255 -1.2255 -1.1563 -1.1563 -0.7526 -0.7526 -0.0351 -0.0351 -0.0109 -0.0109 0.0760 0.0760 0.2226 0.2226 0.2635 0.2635 1.0246 1.0246 1.4037 1.4037 1.7008 1.7008 2.0579 2.0579 2.1597 2.1597 2.2353 2.2353 2.4695 2.4695 2.6316 2.6316 4.6373 4.6373 7.2196 7.2196 9.0374 9.0374 9.0979 9.0979 9.3714 9.3714 9.7058 9.7058 k = 0.1833 0.1833 0.8597 ( 12238 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9947 -25.9947 -11.4067 -11.4067 -10.9765 -10.9765 -10.9667 -10.9667 -10.8333 -10.8333 -9.6970 -9.6970 -9.6530 -9.6530 -9.4464 -9.4464 -9.4228 -9.4228 -9.4076 -9.4076 -9.3672 -9.3672 -1.2445 -1.2445 -1.1416 -1.1416 -0.7599 -0.7599 -0.0365 -0.0365 -0.0268 -0.0268 0.0805 0.0805 0.2102 0.2102 0.2431 0.2431 1.0275 1.0275 1.4308 1.4308 1.7295 1.7295 2.0858 2.0858 2.1498 2.1498 2.2464 2.2464 2.4682 2.4682 2.6297 2.6297 4.6756 4.6756 7.1779 7.1779 8.9924 8.9924 9.0129 9.0129 9.3986 9.3986 9.6667 9.6667 k = 0.1667 0.1667 0.8597 ( 12226 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9947 -25.9947 -11.4143 -11.4143 -10.9731 -10.9731 -10.9633 -10.9633 -10.8290 -10.8290 -9.6994 -9.6994 -9.6521 -9.6521 -9.4496 -9.4496 -9.4234 -9.4234 -9.4071 -9.4071 -9.3653 -9.3653 -1.2629 -1.2629 -1.1267 -1.1267 -0.7667 -0.7667 -0.0513 -0.0513 -0.0282 -0.0282 0.0846 0.0846 0.1983 0.1983 0.2240 0.2240 1.0302 1.0302 1.4579 1.4579 1.7578 1.7578 2.1068 2.1068 2.1411 2.1411 2.2597 2.2597 2.4674 2.4674 2.6280 2.6280 4.7119 4.7119 7.1386 7.1386 8.9307 8.9307 8.9525 8.9525 9.4258 9.4258 9.6306 9.6306 k = 0.1500 0.1500 0.8597 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9946 -25.9946 -11.4213 -11.4213 -10.9699 -10.9699 -10.9602 -10.9602 -10.8251 -10.8251 -9.7017 -9.7017 -9.6512 -9.6512 -9.4525 -9.4525 -9.4239 -9.4239 -9.4066 -9.4066 -9.3635 -9.3635 -1.2802 -1.2802 -1.1121 -1.1121 -0.7730 -0.7730 -0.0685 -0.0685 -0.0260 -0.0260 0.0879 0.0879 0.1866 0.1866 0.2067 0.2067 1.0327 1.0327 1.4844 1.4844 1.7854 1.7854 2.1130 2.1130 2.1411 2.1411 2.2749 2.2749 2.4667 2.4667 2.6263 2.6263 4.7456 4.7456 7.1020 7.1020 8.8570 8.8570 8.9130 8.9130 9.4524 9.4524 9.5976 9.5976 k = 0.1333 0.1333 0.8597 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9946 -25.9946 -11.4276 -11.4276 -10.9669 -10.9669 -10.9572 -10.9572 -10.8216 -10.8216 -9.7039 -9.7039 -9.6504 -9.6504 -9.4552 -9.4552 -9.4244 -9.4244 -9.4062 -9.4062 -9.3618 -9.3618 -1.2961 -1.2961 -1.0981 -1.0981 -0.7788 -0.7788 -0.0847 -0.0847 -0.0233 -0.0233 0.0903 0.0903 0.1751 0.1751 0.1919 0.1919 1.0350 1.0350 1.5102 1.5102 1.8120 1.8120 2.1040 2.1040 2.1510 2.1510 2.2915 2.2915 2.4664 2.4664 2.6249 2.6249 4.7766 4.7766 7.0686 7.0686 8.7895 8.7895 8.8771 8.8771 9.4775 9.4775 9.5678 9.5678 k = 0.1167 0.1167 0.8597 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9946 -25.9946 -11.4333 -11.4333 -10.9642 -10.9642 -10.9545 -10.9545 -10.8186 -10.8186 -9.7059 -9.7059 -9.6497 -9.6497 -9.4576 -9.4576 -9.4248 -9.4248 -9.4058 -9.4058 -9.3602 -9.3602 -1.3105 -1.3105 -1.0851 -1.0851 -0.7839 -0.7839 -0.0996 -0.0996 -0.0203 -0.0203 0.0916 0.0916 0.1633 0.1633 0.1804 0.1804 1.0370 1.0370 1.5348 1.5348 1.8375 1.8375 2.0906 2.0906 2.1607 2.1607 2.3084 2.3084 2.4663 2.4663 2.6237 2.6237 4.8046 4.8046 7.0384 7.0384 8.7290 8.7290 8.8448 8.8448 9.5006 9.5006 9.5414 9.5414 k = 0.1000 0.1000 0.8597 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9946 -25.9946 -11.4383 -11.4383 -10.9617 -10.9617 -10.9521 -10.9521 -10.8160 -10.8160 -9.7077 -9.7077 -9.6490 -9.6490 -9.4598 -9.4598 -9.4252 -9.4252 -9.4054 -9.4054 -9.3588 -9.3588 -1.3233 -1.3233 -1.0731 -1.0731 -0.7885 -0.7885 -0.1130 -0.1130 -0.0173 -0.0173 0.0917 0.0917 0.1515 0.1515 0.1721 0.1721 1.0388 1.0388 1.5578 1.5578 1.8617 1.8617 2.0759 2.0759 2.1682 2.1682 2.3247 2.3247 2.4663 2.4663 2.6227 2.6227 4.8292 4.8292 7.0118 7.0118 8.6760 8.6760 8.8163 8.8163 9.5162 9.5162 9.5235 9.5235 k = 0.0833 0.0833 0.8597 ( 12228 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4426 -11.4426 -10.9597 -10.9597 -10.9500 -10.9500 -10.8139 -10.8139 -9.7093 -9.7093 -9.6485 -9.6485 -9.4617 -9.4617 -9.4255 -9.4255 -9.4051 -9.4051 -9.3575 -9.3575 -1.3342 -1.3342 -1.0626 -1.0626 -0.7924 -0.7924 -0.1247 -0.1247 -0.0142 -0.0142 0.0907 0.0907 0.1404 0.1404 0.1665 0.1665 1.0403 1.0403 1.5786 1.5786 1.8845 1.8845 2.0604 2.0604 2.1737 2.1737 2.3394 2.3394 2.4664 2.4664 2.6220 2.6220 4.8504 4.8504 6.9889 6.9889 8.6307 8.6307 8.7917 8.7917 9.4981 9.4981 9.5401 9.5401 k = 0.0667 0.0667 0.8597 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4461 -11.4461 -10.9579 -10.9579 -10.9482 -10.9482 -10.8121 -10.8121 -9.7107 -9.7107 -9.6480 -9.6480 -9.4632 -9.4632 -9.4258 -9.4258 -9.4048 -9.4048 -9.3565 -9.3565 -1.3434 -1.3434 -1.0536 -1.0536 -0.7956 -0.7956 -0.1345 -0.1345 -0.0113 -0.0113 0.0889 0.0889 0.1308 0.1308 0.1630 0.1630 1.0415 1.0415 1.5969 1.5969 1.9058 1.9058 2.0445 2.0445 2.1776 2.1776 2.3519 2.3519 2.4667 2.4667 2.6216 2.6216 4.8679 4.8679 6.9700 6.9700 8.5933 8.5933 8.7714 8.7714 9.4819 9.4819 9.5551 9.5551 k = 0.0500 0.0500 0.8597 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4488 -11.4488 -10.9565 -10.9565 -10.9468 -10.9468 -10.8107 -10.8107 -9.7118 -9.7118 -9.6476 -9.6476 -9.4644 -9.4644 -9.4260 -9.4260 -9.4046 -9.4046 -9.3557 -9.3557 -1.3505 -1.3505 -1.0463 -1.0463 -0.7982 -0.7982 -0.1423 -0.1423 -0.0087 -0.0087 0.0868 0.0868 0.1229 0.1229 0.1608 0.1608 1.0425 1.0425 1.6119 1.6119 1.9258 1.9258 2.0283 2.0283 2.1803 2.1803 2.3619 2.3619 2.4669 2.4669 2.6214 2.6214 4.8817 4.8817 6.9552 6.9552 8.5641 8.5641 8.7554 8.7554 9.4693 9.4693 9.5671 9.5671 k = 0.0333 0.0333 0.8597 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4508 -11.4508 -10.9555 -10.9555 -10.9458 -10.9458 -10.8097 -10.8097 -9.7126 -9.7126 -9.6474 -9.6474 -9.4653 -9.4653 -9.4261 -9.4261 -9.4045 -9.4045 -9.3551 -9.3551 -1.3557 -1.3557 -1.0411 -1.0411 -0.8000 -0.8000 -0.1479 -0.1479 -0.0066 -0.0066 0.0849 0.0849 0.1171 0.1171 0.1596 0.1596 1.0432 1.0432 1.6231 1.6231 1.9445 1.9445 2.0121 2.0121 2.1821 2.1821 2.3691 2.3691 2.4671 2.4671 2.6213 2.6213 4.8916 4.8916 6.9445 6.9445 8.5432 8.5432 8.7439 8.7439 9.4602 9.4602 9.5756 9.5756 k = 0.0167 0.0167 0.8597 ( 12196 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4520 -11.4520 -10.9549 -10.9549 -10.9451 -10.9451 -10.8092 -10.8092 -9.7130 -9.7130 -9.6472 -9.6472 -9.4658 -9.4658 -9.4262 -9.4262 -9.4044 -9.4044 -9.3548 -9.3548 -1.3588 -1.3588 -1.0378 -1.0378 -0.8010 -0.8010 -0.1514 -0.1514 -0.0052 -0.0052 0.0835 0.0835 0.1135 0.1135 0.1591 0.1591 1.0436 1.0436 1.6301 1.6301 1.9622 1.9622 1.9958 1.9958 2.1831 2.1831 2.3735 2.3735 2.4672 2.4672 2.6213 2.6213 4.8976 4.8976 6.9380 6.9380 8.5306 8.5306 8.7370 8.7370 9.4548 9.4548 9.5808 9.5808 k = 0.0000 0.0000 0.8597 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9953 -25.9953 -25.9946 -25.9946 -11.4524 -11.4524 -10.9548 -10.9548 -10.9449 -10.9449 -10.8090 -10.8090 -9.7132 -9.7132 -9.6472 -9.6472 -9.4660 -9.4660 -9.4262 -9.4262 -9.4044 -9.4044 -9.3546 -9.3546 -1.3598 -1.3598 -1.0368 -1.0368 -0.8014 -0.8014 -0.1525 -0.1525 -0.0047 -0.0047 0.0831 0.0831 0.1122 0.1122 0.1589 0.1589 1.0437 1.0437 1.6324 1.6324 1.9788 1.9788 1.9796 1.9796 2.1834 2.1834 2.3749 2.3749 2.4673 2.4673 2.6213 2.6213 4.8995 4.8995 6.9359 6.9359 8.5264 8.5264 8.7347 8.7347 9.4530 9.4530 9.5826 9.5826 k = 0.0000 0.5000-0.0000 ( 12194 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.4039 -11.4039 -11.1058 -11.1058 -11.0058 -11.0058 -10.9621 -10.9621 -9.6343 -9.6343 -9.6301 -9.6301 -9.3803 -9.3803 -9.3768 -9.3768 -9.3688 -9.3688 -9.3560 -9.3560 -1.2815 -1.2815 -1.2076 -1.2076 -0.7607 -0.7607 -0.2345 -0.2345 0.4457 0.4457 0.5267 0.5267 0.6439 0.6439 0.7800 0.7800 1.2184 1.2184 1.7293 1.7293 1.8673 1.8673 1.9090 1.9090 1.9227 1.9227 2.0778 2.0778 2.6264 2.6264 2.7660 2.7660 4.5050 4.5050 7.6327 7.6327 7.7525 7.7525 8.8329 8.8329 9.2108 9.2108 9.4422 9.4422 k = 0.0000 0.5000 0.0232 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9997 -25.9997 -25.9997 -25.9997 -11.4038 -11.4038 -11.1058 -11.1058 -11.0056 -11.0056 -10.9620 -10.9620 -9.6344 -9.6344 -9.6302 -9.6302 -9.3810 -9.3810 -9.3763 -9.3763 -9.3689 -9.3689 -9.3559 -9.3559 -1.2813 -1.2813 -1.2076 -1.2076 -0.7606 -0.7606 -0.2343 -0.2343 0.4458 0.4458 0.5256 0.5256 0.6428 0.6428 0.7803 0.7803 1.2164 1.2164 1.7277 1.7277 1.8675 1.8675 1.9089 1.9089 1.9239 1.9239 2.0782 2.0782 2.6256 2.6256 2.7653 2.7653 4.5051 4.5051 7.6351 7.6351 7.7555 7.7555 8.8336 8.8336 9.2120 9.2120 9.4462 9.4462 k = 0.0000 0.5000 0.0465 ( 12202 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9997 -25.9997 -25.9997 -25.9997 -11.4036 -11.4036 -11.1056 -11.1056 -11.0051 -11.0051 -10.9615 -10.9615 -9.6346 -9.6346 -9.6305 -9.6305 -9.3825 -9.3825 -9.3755 -9.3755 -9.3692 -9.3692 -9.3556 -9.3556 -1.2807 -1.2807 -1.2074 -1.2074 -0.7602 -0.7602 -0.2338 -0.2338 0.4461 0.4461 0.5225 0.5225 0.6393 0.6393 0.7809 0.7809 1.2105 1.2105 1.7229 1.7229 1.8679 1.8679 1.9086 1.9086 1.9274 1.9274 2.0793 2.0793 2.6232 2.6232 2.7631 2.7631 4.5055 4.5055 7.6422 7.6422 7.7644 7.7644 8.8357 8.8357 9.2155 9.2155 9.4582 9.4582 k = 0.0000 0.5000 0.0697 ( 12210 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9997 -25.9997 -25.9997 -25.9997 -11.4031 -11.4031 -11.1054 -11.1054 -11.0041 -11.0041 -10.9607 -10.9607 -9.6351 -9.6351 -9.6310 -9.6310 -9.3842 -9.3842 -9.3750 -9.3750 -9.3694 -9.3694 -9.3552 -9.3552 -1.2798 -1.2798 -1.2072 -1.2072 -0.7595 -0.7595 -0.2329 -0.2329 0.4466 0.4466 0.5173 0.5173 0.6337 0.6337 0.7817 0.7817 1.2009 1.2009 1.7151 1.7151 1.8685 1.8685 1.9082 1.9082 1.9330 1.9330 2.0812 2.0812 2.6192 2.6192 2.7596 2.7596 4.5061 4.5061 7.6539 7.6539 7.7791 7.7791 8.8391 8.8391 9.2214 9.2214 9.4781 9.4781 k = 0.0000 0.5000 0.0929 ( 12222 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9996 -25.9996 -25.9996 -25.9996 -11.4025 -11.4025 -11.1050 -11.1050 -11.0028 -11.0028 -10.9595 -10.9595 -9.6357 -9.6357 -9.6317 -9.6317 -9.3862 -9.3862 -9.3752 -9.3752 -9.3693 -9.3693 -9.3548 -9.3548 -1.2785 -1.2785 -1.2068 -1.2068 -0.7586 -0.7586 -0.2316 -0.2316 0.4473 0.4473 0.5100 0.5100 0.6260 0.6260 0.7826 0.7826 1.1880 1.1880 1.7044 1.7044 1.8692 1.8692 1.9078 1.9078 1.9403 1.9403 2.0838 2.0838 2.6137 2.6137 2.7547 2.7547 4.5069 4.5069 7.6699 7.6699 7.7995 7.7995 8.8438 8.8438 9.2295 9.2295 9.5057 9.5057 k = 0.0000 0.5000 0.1162 ( 12218 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9995 -25.9995 -25.9995 -25.9995 -11.4017 -11.4017 -11.1045 -11.1045 -11.0011 -11.0011 -10.9581 -10.9581 -9.6364 -9.6364 -9.6326 -9.6326 -9.3882 -9.3882 -9.3761 -9.3761 -9.3688 -9.3688 -9.3544 -9.3544 -1.2768 -1.2768 -1.2064 -1.2064 -0.7574 -0.7574 -0.2300 -0.2300 0.4481 0.4481 0.5008 0.5008 0.6164 0.6164 0.7833 0.7833 1.1723 1.1723 1.6909 1.6909 1.8700 1.8700 1.9074 1.9074 1.9491 1.9491 2.0872 2.0872 2.6069 2.6069 2.7486 2.7486 4.5081 4.5081 7.6902 7.6902 7.8253 7.8253 8.8495 8.8495 9.2396 9.2396 9.5408 9.5408 k = 0.0000 0.5000 0.1394 ( 12222 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9995 -25.9995 -25.9994 -25.9994 -11.4008 -11.4008 -11.1040 -11.1040 -10.9991 -10.9991 -10.9564 -10.9564 -9.6373 -9.6373 -9.6337 -9.6337 -9.3903 -9.3903 -9.3775 -9.3775 -9.3682 -9.3682 -9.3541 -9.3541 -1.2748 -1.2748 -1.2058 -1.2058 -0.7560 -0.7560 -0.2281 -0.2281 0.4492 0.4492 0.4897 0.4897 0.6050 0.6050 0.7833 0.7833 1.1544 1.1544 1.6749 1.6749 1.8708 1.8708 1.9071 1.9071 1.9590 1.9590 2.0915 2.0915 2.5988 2.5988 2.7413 2.7413 4.5094 4.5094 7.7144 7.7144 7.8562 7.8562 8.8559 8.8559 9.2517 9.2517 9.5831 9.5831 k = 0.0000 0.5000 0.1626 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9993 -25.9993 -25.9993 -25.9993 -11.3997 -11.3997 -11.1033 -11.1033 -10.9967 -10.9967 -10.9544 -10.9544 -9.6383 -9.6383 -9.6349 -9.6349 -9.3925 -9.3925 -9.3792 -9.3792 -9.3675 -9.3675 -9.3538 -9.3538 -1.2725 -1.2725 -1.2052 -1.2052 -0.7544 -0.7544 -0.2259 -0.2259 0.4504 0.4504 0.4768 0.4768 0.5921 0.5921 0.7824 0.7824 1.1350 1.1350 1.6566 1.6566 1.8716 1.8716 1.9068 1.9068 1.9698 1.9698 2.0966 2.0966 2.5897 2.5897 2.7331 2.7331 4.5110 4.5110 7.7420 7.7420 7.8919 7.8919 8.8627 8.8627 9.2654 9.2654 9.6324 9.6324 k = 0.0000 0.5000 0.1859 ( 12220 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9992 -25.9992 -25.9992 -25.9992 -11.3985 -11.3985 -11.1026 -11.1026 -10.9940 -10.9940 -10.9521 -10.9521 -9.6395 -9.6395 -9.6363 -9.6363 -9.3946 -9.3946 -9.3811 -9.3811 -9.3670 -9.3670 -9.3537 -9.3537 -1.2698 -1.2698 -1.2045 -1.2045 -0.7525 -0.7525 -0.2233 -0.2233 0.4517 0.4517 0.4623 0.4623 0.5777 0.5777 0.7799 0.7799 1.1150 1.1150 1.6361 1.6361 1.8722 1.8722 1.9066 1.9066 1.9811 1.9811 2.1027 2.1027 2.5797 2.5797 2.7239 2.7239 4.5128 4.5128 7.7727 7.7727 7.9318 7.9318 8.8695 8.8695 9.2803 9.2803 9.6881 9.6881 k = 0.0000 0.5000 0.2091 ( 12222 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9991 -25.9991 -25.9991 -25.9991 -11.3971 -11.3971 -11.1018 -11.1018 -10.9910 -10.9910 -10.9496 -10.9496 -9.6407 -9.6407 -9.6379 -9.6379 -9.3968 -9.3968 -9.3831 -9.3831 -9.3665 -9.3665 -9.3537 -9.3537 -1.2669 -1.2669 -1.2037 -1.2037 -0.7505 -0.7505 -0.2205 -0.2205 0.4458 0.4458 0.4535 0.4535 0.5620 0.5620 0.7755 0.7755 1.0952 1.0952 1.6136 1.6136 1.8728 1.8728 1.9063 1.9063 1.9925 1.9925 2.1098 2.1098 2.5689 2.5689 2.7139 2.7139 4.5148 4.5148 7.8059 7.8059 7.9757 7.9757 8.8757 8.8757 9.2960 9.2960 9.7499 9.7499 k = 0.0000 0.5000 0.2324 ( 12230 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9989 -25.9989 -25.9989 -25.9989 -11.3957 -11.3957 -11.1009 -11.1009 -10.9877 -10.9877 -10.9468 -10.9468 -9.6421 -9.6421 -9.6395 -9.6395 -9.3991 -9.3991 -9.3851 -9.3851 -9.3663 -9.3663 -9.3539 -9.3539 -1.2638 -1.2638 -1.2027 -1.2027 -0.7482 -0.7482 -0.2174 -0.2174 0.4282 0.4282 0.4549 0.4549 0.5451 0.5451 0.7684 0.7684 1.0764 1.0764 1.5895 1.5895 1.8732 1.8732 1.9062 1.9062 2.0037 2.0037 2.1179 2.1179 2.5576 2.5576 2.7032 2.7032 4.5170 4.5170 7.8409 7.8409 8.0230 8.0230 8.8805 8.8805 9.3119 9.3119 9.8029 9.8029 k = 0.0000 0.5000 0.2556 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9988 -25.9988 -25.9988 -25.9988 -11.3941 -11.3941 -11.0999 -11.0999 -10.9841 -10.9841 -10.9438 -10.9438 -9.6435 -9.6435 -9.6412 -9.6412 -9.4012 -9.4012 -9.3873 -9.3873 -9.3661 -9.3661 -9.3542 -9.3542 -1.2604 -1.2604 -1.2017 -1.2017 -0.7458 -0.7458 -0.2140 -0.2140 0.4092 0.4092 0.4566 0.4566 0.5272 0.5272 0.7581 0.7581 1.0597 1.0597 1.5639 1.5639 1.8734 1.8734 1.9061 1.9061 2.0145 2.0145 2.1271 2.1271 2.5460 2.5460 2.6922 2.6922 4.5194 4.5194 7.8771 7.8771 8.0732 8.0732 8.8831 8.8831 9.3273 9.3273 9.7270 9.7270 k = 0.0000 0.5000 0.2788 ( 12226 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9986 -25.9986 -25.9986 -25.9986 -11.3923 -11.3923 -11.0990 -11.0990 -10.9803 -10.9803 -10.9405 -10.9405 -9.6450 -9.6450 -9.6430 -9.6430 -9.4034 -9.4034 -9.3895 -9.3895 -9.3662 -9.3662 -9.3547 -9.3547 -1.2568 -1.2568 -1.2006 -1.2006 -0.7432 -0.7432 -0.2105 -0.2105 0.3890 0.3890 0.4582 0.4582 0.5084 0.5084 0.7442 0.7442 1.0458 1.0458 1.5370 1.5370 1.8736 1.8736 1.9060 1.9060 2.0247 2.0247 2.1374 2.1374 2.5343 2.5343 2.6807 2.6807 4.5219 4.5219 7.9136 7.9136 8.1259 8.1259 8.8825 8.8825 9.3412 9.3412 9.6550 9.6550 k = 0.0000 0.5000 0.3021 ( 12222 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9984 -25.9984 -25.9984 -25.9984 -11.3906 -11.3906 -11.0979 -11.0979 -10.9763 -10.9763 -10.9371 -10.9371 -9.6465 -9.6465 -9.6449 -9.6449 -9.4056 -9.4056 -9.3917 -9.3917 -9.3665 -9.3665 -9.3554 -9.3554 -1.2530 -1.2530 -1.1995 -1.1995 -0.7404 -0.7404 -0.2067 -0.2067 0.3677 0.3677 0.4596 0.4596 0.4892 0.4892 0.7265 0.7265 1.0350 1.0350 1.5091 1.5091 1.8737 1.8737 1.9061 1.9061 2.0340 2.0340 2.1486 2.1486 2.5227 2.5227 2.6691 2.6691 4.5246 4.5246 7.9493 7.9493 8.1804 8.1804 8.8776 8.8776 9.3529 9.3529 9.5910 9.5910 k = 0.0000 0.5000 0.3253 ( 12218 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9982 -25.9982 -25.9982 -25.9982 -11.3887 -11.3887 -11.0968 -11.0968 -10.9720 -10.9720 -10.9336 -10.9336 -9.6481 -9.6481 -9.6468 -9.6468 -9.4076 -9.4076 -9.3940 -9.3940 -9.3669 -9.3669 -9.3563 -9.3563 -1.2491 -1.2491 -1.1982 -1.1982 -0.7375 -0.7375 -0.2028 -0.2028 0.3456 0.3456 0.4591 0.4591 0.4713 0.4713 0.7052 0.7052 1.0275 1.0275 1.4805 1.4805 1.8736 1.8736 1.9061 1.9061 2.0425 2.0425 2.1605 2.1605 2.5116 2.5116 2.6574 2.6574 4.5274 4.5274 7.9828 7.9828 8.2362 8.2362 8.8680 8.8680 9.3614 9.3614 9.5373 9.5373 k = 0.0000 0.5000 0.3485 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9981 -25.9981 -25.9980 -25.9980 -11.3868 -11.3868 -11.0957 -11.0957 -10.9676 -10.9676 -10.9299 -10.9299 -9.6497 -9.6497 -9.6486 -9.6486 -9.4097 -9.4097 -9.3962 -9.3962 -9.3676 -9.3676 -9.3574 -9.3574 -1.2451 -1.2451 -1.1968 -1.1968 -0.7345 -0.7345 -0.1987 -0.1987 0.3227 0.3227 0.4456 0.4456 0.4658 0.4658 0.6808 0.6808 1.0230 1.0230 1.4512 1.4512 1.8734 1.8734 1.9063 1.9063 2.0501 2.0501 2.1729 2.1729 2.5011 2.5011 2.6458 2.6458 4.5304 4.5304 8.0126 8.0126 8.2930 8.2930 8.8540 8.8540 9.3661 9.3661 9.4956 9.4956 k = 0.0000 0.5000 0.3718 ( 12222 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9979 -25.9979 -25.9979 -25.9979 -11.3848 -11.3848 -11.0946 -11.0946 -10.9631 -10.9631 -10.9261 -10.9261 -9.6514 -9.6514 -9.6505 -9.6505 -9.4116 -9.4116 -9.3984 -9.3984 -9.3684 -9.3684 -9.3586 -9.3586 -1.2411 -1.2411 -1.1954 -1.1954 -0.7314 -0.7314 -0.1945 -0.1945 0.2992 0.2992 0.4253 0.4253 0.4666 0.4666 0.6539 0.6539 1.0212 1.0212 1.4217 1.4217 1.8732 1.8732 1.9064 1.9064 2.0568 2.0568 2.1853 2.1853 2.4915 2.4915 2.6345 2.6345 4.5334 4.5334 8.0368 8.0368 8.3500 8.3500 8.8371 8.8371 9.3669 9.3669 9.4662 9.4662 k = 0.0000 0.5000 0.3950 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9977 -25.9977 -25.9976 -25.9976 -11.3828 -11.3828 -11.0935 -11.0935 -10.9584 -10.9584 -10.9222 -10.9222 -9.6531 -9.6531 -9.6522 -9.6522 -9.4135 -9.4135 -9.4005 -9.4005 -9.3694 -9.3694 -9.3600 -9.3600 -1.2371 -1.2371 -1.1938 -1.1938 -0.7283 -0.7283 -0.1902 -0.1902 0.2753 0.2753 0.4043 0.4043 0.4677 0.4677 0.6255 0.6255 1.0216 1.0216 1.3920 1.3920 1.8729 1.8729 1.9067 1.9067 2.0629 2.0629 2.1973 2.1973 2.4830 2.4830 2.6237 2.6237 4.5365 4.5365 8.0529 8.0529 8.4068 8.4068 8.8204 8.8204 9.3640 9.3640 9.4485 9.4485 k = 0.0000 0.5000 0.4182 ( 12248 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9974 -25.9974 -25.9974 -25.9974 -11.3808 -11.3808 -11.0924 -11.0924 -10.9537 -10.9537 -10.9182 -10.9182 -9.6550 -9.6550 -9.6537 -9.6537 -9.4152 -9.4152 -9.4026 -9.4026 -9.3706 -9.3706 -9.3616 -9.3616 -1.2331 -1.2331 -1.1922 -1.1922 -0.7251 -0.7251 -0.1859 -0.1859 0.2513 0.2513 0.3832 0.3832 0.4683 0.4683 0.5962 0.5962 1.0238 1.0238 1.3625 1.3625 1.8725 1.8725 1.9069 1.9069 2.0682 2.0682 2.2084 2.2084 2.4760 2.4760 2.6135 2.6135 4.5396 4.5396 8.0589 8.0589 8.4630 8.4630 8.8077 8.8077 9.3581 9.3581 9.4408 9.4408 k = 0.0000 0.5000 0.4415 ( 12258 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9972 -25.9972 -25.9972 -25.9972 -11.3788 -11.3788 -11.0913 -11.0913 -10.9489 -10.9489 -10.9142 -10.9142 -9.6568 -9.6568 -9.6552 -9.6552 -9.4168 -9.4168 -9.4045 -9.4045 -9.3720 -9.3720 -9.3634 -9.3634 -1.2292 -1.2292 -1.1904 -1.1904 -0.7218 -0.7218 -0.1815 -0.1815 0.2272 0.2272 0.3621 0.3621 0.4678 0.4678 0.5674 0.5674 1.0273 1.0273 1.3333 1.3333 1.8720 1.8720 1.9072 1.9072 2.0729 2.0729 2.2184 2.2184 2.4707 2.4707 2.6041 2.6041 4.5428 4.5428 8.0532 8.0532 8.5180 8.5180 8.8024 8.8024 9.3500 9.3500 9.4415 9.4415 k = 0.0000 0.5000 0.4647 ( 12230 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9970 -25.9970 -25.9970 -25.9970 -11.3768 -11.3768 -11.0902 -11.0902 -10.9441 -10.9441 -10.9102 -10.9102 -9.6586 -9.6586 -9.6566 -9.6566 -9.4183 -9.4183 -9.4064 -9.4064 -9.3736 -9.3736 -9.3652 -9.3652 -1.2254 -1.2254 -1.1885 -1.1885 -0.7185 -0.7185 -0.1771 -0.1771 0.2033 0.2033 0.3412 0.3412 0.4650 0.4650 0.5406 0.5406 1.0318 1.0318 1.3047 1.3047 1.8715 1.8715 1.9076 1.9076 2.0771 2.0771 2.2267 2.2267 2.4671 2.4671 2.5958 2.5958 4.5460 4.5460 8.0352 8.0352 8.5712 8.5712 8.8067 8.8067 9.3407 9.3407 9.4486 9.4486 k = 0.0000 0.5000 0.4879 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9968 -25.9968 -25.9968 -25.9968 -11.3749 -11.3749 -11.0891 -11.0891 -10.9394 -10.9394 -10.9062 -10.9062 -9.6603 -9.6603 -9.6580 -9.6580 -9.4197 -9.4197 -9.4082 -9.4082 -9.3753 -9.3753 -9.3672 -9.3672 -1.2218 -1.2218 -1.1866 -1.1866 -0.7153 -0.7153 -0.1727 -0.1727 0.1797 0.1797 0.3207 0.3207 0.4570 0.4570 0.5191 0.5191 1.0370 1.0370 1.2767 1.2767 1.8710 1.8710 1.9080 1.9080 2.0807 2.0807 2.2332 2.2332 2.4652 2.4652 2.5888 2.5888 4.5491 4.5491 8.0062 8.0062 8.6222 8.6222 8.8212 8.8212 9.3315 9.3315 9.4608 9.4608 k = 0.0000 0.5000 0.5112 ( 12234 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9966 -25.9966 -25.9966 -25.9966 -11.3729 -11.3729 -11.0881 -11.0881 -10.9347 -10.9347 -10.9023 -10.9023 -9.6620 -9.6620 -9.6592 -9.6592 -9.4209 -9.4209 -9.4098 -9.4098 -9.3772 -9.3772 -9.3694 -9.3694 -1.2184 -1.2184 -1.1845 -1.1845 -0.7120 -0.7120 -0.1683 -0.1683 0.1565 0.1565 0.3008 0.3008 0.4409 0.4409 0.5062 0.5062 1.0427 1.0427 1.2497 1.2497 1.8704 1.8704 1.9084 1.9084 2.0839 2.0839 2.2376 2.2376 2.4648 2.4648 2.5835 2.5835 4.5522 4.5522 7.9681 7.9681 8.6702 8.6702 8.8450 8.8450 9.3234 9.3234 9.4767 9.4767 k = 0.0000 0.5000 0.5344 ( 12226 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9964 -25.9964 -25.9964 -25.9964 -11.3711 -11.3711 -11.0871 -11.0871 -10.9300 -10.9300 -10.8985 -10.8985 -9.6636 -9.6636 -9.6604 -9.6604 -9.4219 -9.4219 -9.4112 -9.4112 -9.3793 -9.3793 -9.3716 -9.3716 -1.2153 -1.2153 -1.1823 -1.1823 -0.7089 -0.7089 -0.1641 -0.1641 0.1340 0.1340 0.2815 0.2815 0.4181 0.4181 0.5007 0.5007 1.0487 1.0487 1.2237 1.2237 1.8699 1.8699 1.9088 1.9088 2.0865 2.0865 2.2402 2.2402 2.4652 2.4652 2.5802 2.5802 4.5553 4.5553 7.9236 7.9236 8.7145 8.7145 8.8766 8.8766 9.3178 9.3178 9.4955 9.4955 k = 0.0000 0.5000 0.5577 ( 12218 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9963 -25.9963 -25.9963 -25.9963 -11.3693 -11.3693 -11.0861 -11.0861 -10.9256 -10.9256 -10.8948 -10.8948 -9.6651 -9.6651 -9.6615 -9.6615 -9.4228 -9.4228 -9.4125 -9.4125 -9.3815 -9.3815 -9.3739 -9.3739 -1.2124 -1.2124 -1.1800 -1.1800 -0.7058 -0.7058 -0.1599 -0.1599 0.1123 0.1123 0.2630 0.2630 0.3926 0.3926 0.4988 0.4988 1.0548 1.0548 1.1989 1.1989 1.8693 1.8693 1.9092 1.9092 2.0888 2.0888 2.2411 2.2411 2.4659 2.4659 2.5792 2.5792 4.5582 4.5582 7.8751 7.8751 8.7543 8.7543 8.9142 8.9142 9.3158 9.3158 9.5164 9.5164 k = 0.0000 0.5000 0.5809 ( 12226 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9961 -25.9961 -25.9961 -25.9961 -11.3676 -11.3676 -11.0852 -11.0852 -10.9213 -10.9213 -10.8912 -10.8912 -9.6665 -9.6665 -9.6625 -9.6625 -9.4234 -9.4234 -9.4136 -9.4136 -9.3838 -9.3838 -9.3762 -9.3762 -1.2098 -1.2098 -1.1777 -1.1777 -0.7028 -0.7028 -0.1558 -0.1558 0.0915 0.0915 0.2454 0.2454 0.3667 0.3667 0.4986 0.4986 1.0609 1.0609 1.1756 1.1756 1.8687 1.8687 1.9097 1.9097 2.0906 2.0906 2.2406 2.2406 2.4663 2.4663 2.5806 2.5806 4.5611 4.5611 7.8247 7.8247 8.7889 8.7889 8.9563 8.9563 9.3186 9.3186 9.5388 9.5388 k = 0.0000 0.5000 0.6041 ( 12214 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9959 -25.9959 -25.9959 -25.9959 -11.3659 -11.3659 -11.0844 -11.0844 -10.9172 -10.9172 -10.8878 -10.8878 -9.6678 -9.6678 -9.6634 -9.6634 -9.4239 -9.4239 -9.4145 -9.4145 -9.3863 -9.3863 -9.3786 -9.3786 -1.2074 -1.2074 -1.1753 -1.1753 -0.6999 -0.6999 -0.1518 -0.1518 0.0717 0.0717 0.2289 0.2289 0.3414 0.3414 0.4990 0.4990 1.0668 1.0668 1.1537 1.1537 1.8681 1.8681 1.9101 1.9101 2.0920 2.0920 2.2391 2.2391 2.4662 2.4662 2.5844 2.5844 4.5638 4.5638 7.7742 7.7742 8.8177 8.8177 9.0019 9.0019 9.3272 9.3272 9.5621 9.5621 k = 0.0000 0.5000 0.6274 ( 12226 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9957 -25.9957 -25.9957 -25.9957 -11.3644 -11.3644 -11.0836 -11.0836 -10.9133 -10.9133 -10.8846 -10.8846 -9.6689 -9.6689 -9.6642 -9.6642 -9.4241 -9.4241 -9.4152 -9.4152 -9.3888 -9.3888 -9.3810 -9.3810 -1.2054 -1.2054 -1.1730 -1.1730 -0.6972 -0.6972 -0.1479 -0.1479 0.0531 0.0531 0.2134 0.2134 0.3175 0.3175 0.4997 0.4997 1.0724 1.0724 1.1335 1.1335 1.8676 1.8676 1.9106 1.9106 2.0931 2.0931 2.2369 2.2369 2.4652 2.4652 2.5902 2.5902 4.5663 4.5663 7.7250 7.7250 8.8402 8.8402 9.0498 9.0498 9.3422 9.3422 9.5858 9.5858 k = 0.0000 0.5000 0.6506 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9956 -25.9956 -25.9956 -25.9956 -11.3630 -11.3630 -11.0829 -11.0829 -10.9097 -10.9097 -10.8816 -10.8816 -9.6700 -9.6700 -9.6650 -9.6650 -9.4241 -9.4241 -9.4157 -9.4157 -9.3913 -9.3913 -9.3834 -9.3834 -1.2036 -1.2036 -1.1707 -1.1707 -0.6946 -0.6946 -0.1442 -0.1442 0.0357 0.0357 0.1992 0.1992 0.2951 0.2951 0.5005 0.5005 1.0774 1.0774 1.1154 1.1154 1.8670 1.8670 1.9110 1.9110 2.0939 2.0939 2.2343 2.2343 2.4637 2.4637 2.5974 2.5974 4.5687 4.5687 7.6780 7.6780 8.8568 8.8568 9.0993 9.0993 9.3637 9.3637 9.6095 9.6095 k = 0.0000 0.5000 0.6738 ( 12212 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9955 -25.9955 -25.9955 -25.9955 -11.3617 -11.3617 -11.0822 -11.0822 -10.9064 -10.9064 -10.8788 -10.8788 -9.6710 -9.6710 -9.6657 -9.6657 -9.4240 -9.4240 -9.4160 -9.4160 -9.3939 -9.3939 -9.3858 -9.3858 -1.2020 -1.2020 -1.1685 -1.1685 -0.6922 -0.6922 -0.1406 -0.1406 0.0197 0.0197 0.1863 0.1863 0.2745 0.2745 0.5014 0.5014 1.0808 1.0808 1.1003 1.1003 1.8665 1.8665 1.9114 1.9114 2.0945 2.0945 2.2315 2.2315 2.4617 2.4617 2.6054 2.6054 4.5709 4.5709 7.6341 7.6341 8.8680 8.8680 9.1497 9.1497 9.3913 9.3913 9.6326 9.6326 k = 0.0000 0.5000 0.6971 ( 12218 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9953 -25.9953 -25.9953 -25.9953 -11.3606 -11.3606 -11.0816 -11.0816 -10.9034 -10.9034 -10.8764 -10.8764 -9.6719 -9.6719 -9.6662 -9.6662 -9.4236 -9.4236 -9.4161 -9.4161 -9.3966 -9.3966 -9.3881 -9.3881 -1.2006 -1.2006 -1.1665 -1.1665 -0.6901 -0.6901 -0.1373 -0.1373 0.0052 0.0052 0.1748 0.1748 0.2559 0.2559 0.5022 0.5022 1.0772 1.0772 1.0935 1.0935 1.8661 1.8661 1.9118 1.9118 2.0948 2.0948 2.2288 2.2288 2.4595 2.4595 2.6138 2.6138 4.5729 4.5729 7.5940 7.5940 8.8750 8.8750 9.2004 9.2004 9.4243 9.4243 9.6543 9.6543 k = 0.0000 0.5000 0.7203 ( 12206 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9952 -25.9952 -11.3596 -11.3596 -11.0811 -11.0811 -10.9007 -10.9007 -10.8742 -10.8742 -9.6726 -9.6726 -9.6667 -9.6667 -9.4229 -9.4229 -9.4161 -9.4161 -9.3991 -9.3991 -9.3903 -9.3903 -1.1995 -1.1995 -1.1647 -1.1647 -0.6882 -0.6882 -0.1341 -0.1341 -0.0077 -0.0077 0.1647 0.1647 0.2394 0.2394 0.5029 0.5029 1.0666 1.0666 1.0951 1.0951 1.8657 1.8657 1.9122 1.9122 2.0949 2.0949 2.2263 2.2263 2.4574 2.4574 2.6219 2.6219 4.5746 4.5746 7.5583 7.5583 8.8787 8.8787 9.2508 9.2508 9.4616 9.4616 9.6739 9.6739 k = 0.0000 0.5000 0.7435 ( 12228 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9951 -25.9951 -11.3587 -11.3587 -11.0807 -11.0807 -10.8984 -10.8984 -10.8723 -10.8723 -9.6733 -9.6733 -9.6672 -9.6672 -9.4221 -9.4221 -9.4159 -9.4159 -9.4016 -9.4016 -9.3923 -9.3923 -1.1986 -1.1986 -1.1631 -1.1631 -0.6865 -0.6865 -0.1311 -0.1311 -0.0191 -0.0191 0.1562 0.1562 0.2253 0.2253 0.5035 0.5035 1.0560 1.0560 1.0981 1.0981 1.8653 1.8653 1.9125 1.9125 2.0949 2.0949 2.2240 2.2240 2.4553 2.4553 2.6293 2.6293 4.5761 4.5761 7.5274 7.5274 8.8801 8.8801 9.3002 9.3002 9.5024 9.5024 9.6904 9.6904 k = 0.0000 0.5000 0.7668 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9951 -25.9951 -11.3580 -11.3580 -11.0803 -11.0803 -10.8965 -10.8965 -10.8707 -10.8707 -9.6738 -9.6738 -9.6675 -9.6675 -9.4211 -9.4211 -9.4156 -9.4156 -9.4041 -9.4041 -9.3941 -9.3941 -1.1978 -1.1978 -1.1617 -1.1617 -0.6851 -0.6851 -0.1285 -0.1285 -0.0287 -0.0287 0.1491 0.1491 0.2135 0.2135 0.5040 0.5040 1.0471 1.0471 1.1008 1.1008 1.8650 1.8650 1.9128 1.9128 2.0948 2.0948 2.2220 2.2220 2.4535 2.4535 2.6358 2.6358 4.5773 4.5773 7.5017 7.5017 8.8802 8.8802 9.3475 9.3475 9.5457 9.5457 9.7023 9.7023 k = 0.0000 0.5000 0.7900 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9950 -25.9950 -11.3574 -11.3574 -11.0800 -11.0800 -10.8950 -10.8950 -10.8695 -10.8695 -9.6742 -9.6742 -9.6678 -9.6678 -9.4199 -9.4199 -9.4153 -9.4153 -9.4063 -9.4063 -9.3957 -9.3957 -1.1972 -1.1972 -1.1607 -1.1607 -0.6840 -0.6840 -0.1262 -0.1262 -0.0364 -0.0364 0.1437 0.1437 0.2043 0.2043 0.5045 0.5045 1.0400 1.0400 1.1031 1.1031 1.8648 1.8648 1.9130 1.9130 2.0947 2.0947 2.2204 2.2204 2.4521 2.4521 2.6412 2.6412 4.5783 4.5783 7.4814 7.4814 8.8797 8.8797 9.3912 9.3912 9.5908 9.5908 9.7081 9.7081 k = 0.0000 0.5000 0.8132 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9950 -25.9950 -11.3570 -11.3570 -11.0798 -11.0798 -10.8940 -10.8940 -10.8686 -10.8686 -9.6745 -9.6745 -9.6679 -9.6679 -9.4186 -9.4186 -9.4151 -9.4151 -9.4082 -9.4082 -9.3970 -9.3970 -1.1968 -1.1968 -1.1599 -1.1599 -0.6833 -0.6833 -0.1244 -0.1244 -0.0420 -0.0420 0.1398 0.1398 0.1976 0.1976 0.5047 0.5047 1.0349 1.0349 1.1048 1.1048 1.8646 1.8646 1.9132 1.9132 2.0946 2.0946 2.2193 2.2193 2.4510 2.4510 2.6451 2.6451 4.5790 4.5790 7.4667 7.4667 8.8790 8.8790 9.4286 9.4286 9.6360 9.6360 9.7076 9.7076 k = 0.0000 0.5000 0.8365 ( 12236 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3568 -11.3568 -11.0797 -11.0797 -10.8933 -10.8933 -10.8681 -10.8681 -9.6746 -9.6746 -9.6681 -9.6681 -9.4173 -9.4173 -9.4153 -9.4153 -9.4096 -9.4096 -9.3977 -9.3977 -1.1966 -1.1966 -1.1594 -1.1594 -0.6828 -0.6828 -0.1232 -0.1232 -0.0456 -0.0456 0.1374 0.1374 0.1935 0.1935 0.5049 0.5049 1.0318 1.0318 1.1058 1.1058 1.8645 1.8645 1.9133 1.9133 2.0945 2.0945 2.2186 2.2186 2.4504 2.4504 2.6475 2.6475 4.5794 4.5794 7.4579 7.4579 8.8784 8.8784 9.4552 9.4552 9.6743 9.6743 9.7095 9.7095 k = 0.0000 0.5000 0.8597 ( 12248 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.3567 -11.3567 -11.0797 -11.0797 -10.8931 -10.8931 -10.8679 -10.8679 -9.6747 -9.6747 -9.6681 -9.6681 -9.4165 -9.4165 -9.4156 -9.4156 -9.4102 -9.4102 -9.3980 -9.3980 -1.1965 -1.1965 -1.1593 -1.1593 -0.6826 -0.6826 -0.1228 -0.1228 -0.0467 -0.0467 0.1366 0.1366 0.1922 0.1922 0.5050 0.5050 1.0308 1.0308 1.1061 1.1061 1.8644 1.8644 1.9133 1.9133 2.0944 2.0944 2.2184 2.2184 2.4501 2.4501 2.6483 2.6483 4.5795 4.5795 7.4549 7.4549 8.8782 8.8782 9.4651 9.4651 9.6841 9.6841 9.7294 9.7294 k = 0.5000 0.5000-0.0000 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4004 -49.4004 -45.1940 -45.1940 -44.5714 -44.5714 -25.9998 -25.9998 -25.9998 -25.9998 -11.3913 -11.3913 -11.0568 -11.0568 -11.0177 -11.0177 -11.0080 -11.0080 -9.6436 -9.6436 -9.6417 -9.6417 -9.4019 -9.4019 -9.4003 -9.4003 -9.3479 -9.3479 -9.3282 -9.3282 -1.3745 -1.3745 -0.9985 -0.9985 -0.5749 -0.5749 0.1551 0.1551 0.3927 0.3927 0.5478 0.5478 0.6685 0.6685 0.7200 0.7200 1.0805 1.0805 1.2689 1.2689 1.5649 1.5649 1.6196 1.6196 1.9417 1.9417 2.3770 2.3770 2.6674 2.6674 2.8064 2.8064 3.9325 3.9325 8.3923 8.3923 8.3969 8.3969 8.4595 8.4595 8.9006 8.9006 9.3811 9.3811 k = 0.5000 0.5000 0.0232 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9997 -25.9997 -25.9997 -25.9997 -11.3910 -11.3910 -11.0566 -11.0566 -11.0177 -11.0177 -11.0081 -11.0081 -9.6436 -9.6436 -9.6417 -9.6417 -9.4019 -9.4019 -9.4003 -9.4003 -9.3481 -9.3481 -9.3283 -9.3283 -1.3745 -1.3745 -0.9984 -0.9984 -0.5750 -0.5750 0.1553 0.1553 0.3929 0.3929 0.5467 0.5467 0.6673 0.6673 0.7203 0.7203 1.0810 1.0810 1.2673 1.2673 1.5647 1.5647 1.6183 1.6183 1.9430 1.9430 2.3768 2.3768 2.6664 2.6664 2.8055 2.8055 3.9327 3.9327 8.3966 8.3966 8.4012 8.4012 8.4602 8.4602 8.9025 8.9025 9.3832 9.3832 k = 0.5000 0.5000 0.0465 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9997 -25.9997 -25.9997 -25.9997 -11.3904 -11.3904 -11.0559 -11.0559 -11.0177 -11.0177 -11.0081 -11.0081 -9.6436 -9.6436 -9.6418 -9.6418 -9.4019 -9.4019 -9.4003 -9.4003 -9.3484 -9.3484 -9.3288 -9.3288 -1.3743 -1.3743 -0.9980 -0.9980 -0.5754 -0.5754 0.1561 0.1561 0.3934 0.3934 0.5433 0.5433 0.6636 0.6636 0.7212 0.7212 1.0825 1.0825 1.2624 1.2624 1.5641 1.5641 1.6142 1.6142 1.9470 1.9470 2.3761 2.3761 2.6635 2.6635 2.8028 2.8028 3.9335 3.9335 8.4093 8.4093 8.4140 8.4140 8.4625 8.4625 8.9080 8.9080 9.3895 9.3895 k = 0.5000 0.5000 0.0697 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9997 -25.9997 -25.9997 -25.9997 -11.3892 -11.3892 -11.0549 -11.0549 -11.0178 -11.0178 -11.0082 -11.0082 -9.6437 -9.6437 -9.6419 -9.6419 -9.4019 -9.4019 -9.4003 -9.4003 -9.3491 -9.3491 -9.3296 -9.3296 -1.3740 -1.3740 -0.9973 -0.9973 -0.5759 -0.5759 0.1573 0.1573 0.3943 0.3943 0.5378 0.5378 0.6576 0.6576 0.7225 0.7225 1.0851 1.0851 1.2544 1.2544 1.5631 1.5631 1.6076 1.6076 1.9535 1.9535 2.3748 2.3748 2.6586 2.6586 2.7984 2.7984 3.9348 3.9348 8.4303 8.4303 8.4353 8.4353 8.4661 8.4661 8.9171 8.9171 9.3999 9.3999 k = 0.5000 0.5000 0.0929 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9996 -25.9996 -25.9996 -25.9996 -11.3876 -11.3876 -11.0534 -11.0534 -11.0179 -11.0179 -11.0083 -11.0083 -9.6439 -9.6439 -9.6421 -9.6421 -9.4020 -9.4020 -9.4003 -9.4003 -9.3499 -9.3499 -9.3307 -9.3307 -1.3736 -1.3736 -0.9964 -0.9964 -0.5767 -0.5767 0.1589 0.1589 0.3954 0.3954 0.5303 0.5303 0.6492 0.6492 0.7243 0.7243 1.0886 1.0886 1.2437 1.2437 1.5617 1.5617 1.5984 1.5984 1.9623 1.9623 2.3732 2.3732 2.6518 2.6518 2.7924 2.7924 3.9366 3.9366 8.4580 8.4580 8.4647 8.4647 8.4722 8.4722 8.9295 8.9295 9.4146 9.4146 k = 0.5000 0.5000 0.1162 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9995 -25.9995 -25.9995 -25.9995 -11.3856 -11.3856 -11.0515 -11.0515 -11.0181 -11.0181 -11.0085 -11.0085 -9.6441 -9.6441 -9.6423 -9.6423 -9.4020 -9.4020 -9.4002 -9.4002 -9.3510 -9.3510 -9.3321 -9.3321 -1.3731 -1.3731 -0.9953 -0.9953 -0.5777 -0.5777 0.1610 0.1610 0.3967 0.3967 0.5208 0.5208 0.6385 0.6385 0.7262 0.7262 1.0931 1.0931 1.2305 1.2305 1.5599 1.5599 1.5867 1.5867 1.9733 1.9733 2.3710 2.3710 2.6434 2.6434 2.7848 2.7848 3.9389 3.9389 8.4736 8.4736 8.4991 8.4991 8.5022 8.5022 8.9452 8.9452 9.4334 9.4334 k = 0.5000 0.5000 0.1394 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9994 -25.9994 -25.9994 -25.9994 -11.3832 -11.3832 -11.0492 -11.0492 -11.0183 -11.0183 -11.0087 -11.0087 -9.6443 -9.6443 -9.6426 -9.6426 -9.4020 -9.4020 -9.4002 -9.4002 -9.3523 -9.3523 -9.3338 -9.3338 -1.3725 -1.3725 -0.9939 -0.9939 -0.5789 -0.5789 0.1635 0.1635 0.3981 0.3981 0.5097 0.5097 0.6256 0.6256 0.7283 0.7283 1.0984 1.0984 1.2154 1.2154 1.5578 1.5578 1.5727 1.5727 1.9860 1.9860 2.3684 2.3684 2.6336 2.6336 2.7758 2.7758 3.9417 3.9417 8.4797 8.4797 8.5432 8.5432 8.5472 8.5472 8.9638 8.9638 9.4563 9.4563 k = 0.5000 0.5000 0.1626 ( 12196 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9993 -25.9993 -25.9993 -25.9993 -11.3803 -11.3803 -11.0466 -11.0466 -11.0185 -11.0185 -11.0089 -11.0089 -9.6446 -9.6446 -9.6429 -9.6429 -9.4020 -9.4020 -9.4001 -9.4001 -9.3538 -9.3538 -9.3357 -9.3357 -1.3718 -1.3718 -0.9922 -0.9922 -0.5803 -0.5803 0.1664 0.1664 0.3994 0.3994 0.4972 0.4972 0.6107 0.6107 0.7302 0.7302 1.1046 1.1046 1.1987 1.1987 1.5553 1.5553 1.5566 1.5566 2.0003 2.0003 2.3653 2.3653 2.6225 2.6225 2.7657 2.7657 3.9449 3.9449 8.4849 8.4849 8.5951 8.5951 8.5994 8.5994 8.9850 8.9850 9.4834 9.4834 k = 0.5000 0.5000 0.1859 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5714 -44.5714 -25.9992 -25.9992 -25.9992 -25.9992 -11.3770 -11.3770 -11.0436 -11.0436 -11.0187 -11.0187 -11.0092 -11.0092 -9.6449 -9.6449 -9.6433 -9.6433 -9.4020 -9.4020 -9.4001 -9.4001 -9.3556 -9.3556 -9.3379 -9.3379 -1.3709 -1.3709 -0.9904 -0.9904 -0.5819 -0.5819 0.1697 0.1697 0.4002 0.4002 0.4837 0.4837 0.5939 0.5939 0.7318 0.7318 1.1117 1.1117 1.1811 1.1811 1.5384 1.5384 1.5525 1.5525 2.0159 2.0159 2.3618 2.3618 2.6104 2.6104 2.7545 2.7545 3.9486 3.9486 8.4893 8.4893 8.6536 8.6536 8.6582 8.6582 9.0084 9.0084 9.5146 9.5146 k = 0.5000 0.5000 0.2091 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9991 -25.9991 -25.9991 -25.9991 -11.3734 -11.3734 -11.0402 -11.0402 -11.0190 -11.0190 -11.0094 -11.0094 -9.6453 -9.6453 -9.6437 -9.6437 -9.4020 -9.4020 -9.4000 -9.4000 -9.3575 -9.3575 -9.3404 -9.3404 -1.3701 -1.3701 -0.9883 -0.9883 -0.5837 -0.5837 0.1733 0.1733 0.3998 0.3998 0.4701 0.4701 0.5753 0.5753 0.7328 0.7328 1.1194 1.1194 1.1630 1.1630 1.5184 1.5184 1.5493 1.5493 2.0325 2.0325 2.3578 2.3578 2.5975 2.5975 2.7425 2.7425 3.9527 3.9527 8.4923 8.4923 8.7182 8.7182 8.7230 8.7230 9.0336 9.0336 9.5499 9.5499 k = 0.5000 0.5000 0.2324 ( 12216 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9989 -25.9989 -25.9989 -25.9989 -11.3694 -11.3694 -11.0365 -11.0365 -11.0193 -11.0193 -11.0097 -11.0097 -9.6458 -9.6458 -9.6442 -9.6442 -9.4021 -9.4021 -9.3999 -9.3999 -9.3596 -9.3596 -9.3430 -9.3430 -1.3690 -1.3690 -0.9861 -0.9861 -0.5856 -0.5856 0.1772 0.1772 0.3969 0.3969 0.4577 0.4577 0.5551 0.5551 0.7329 0.7329 1.1279 1.1279 1.1450 1.1450 1.4969 1.4969 1.5459 1.5459 2.0498 2.0498 2.3535 2.3535 2.5841 2.5841 2.7298 2.7298 3.9573 3.9573 8.4932 8.4932 8.7883 8.7883 8.7932 8.7932 9.0603 9.0603 9.5892 9.5892 k = 0.5000 0.5000 0.2556 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9988 -25.9988 -25.9988 -25.9988 -11.3651 -11.3651 -11.0325 -11.0325 -11.0197 -11.0197 -11.0101 -11.0101 -9.6463 -9.6463 -9.6448 -9.6448 -9.4021 -9.4021 -9.3998 -9.3998 -9.3618 -9.3618 -9.3459 -9.3459 -1.3680 -1.3680 -0.9837 -0.9837 -0.5877 -0.5877 0.1813 0.1813 0.3895 0.3895 0.4488 0.4488 0.5335 0.5335 0.7317 0.7317 1.1277 1.1277 1.1369 1.1369 1.4740 1.4740 1.5422 1.5422 2.0676 2.0676 2.3488 2.3488 2.5705 2.5705 2.7167 2.7167 3.9621 3.9621 8.4917 8.4917 8.8629 8.8629 8.8681 8.8681 9.0881 9.0881 9.6325 9.6325 k = 0.5000 0.5000 0.2788 ( 12232 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9986 -25.9986 -25.9986 -25.9986 -11.3605 -11.3605 -11.0282 -11.0282 -11.0201 -11.0201 -11.0104 -11.0104 -9.6468 -9.6468 -9.6454 -9.6454 -9.4021 -9.4021 -9.3997 -9.3997 -9.3642 -9.3642 -9.3489 -9.3489 -1.3668 -1.3668 -0.9812 -0.9812 -0.5899 -0.5899 0.1856 0.1856 0.3765 0.3765 0.4443 0.4443 0.5106 0.5106 0.7290 0.7290 1.1116 1.1116 1.1465 1.1465 1.4499 1.4499 1.5382 1.5382 2.0856 2.0856 2.3437 2.3437 2.5571 2.5571 2.7032 2.7032 3.9673 3.9673 8.4870 8.4870 8.9413 8.9413 8.9465 8.9465 9.1166 9.1166 9.6798 9.6798 k = 0.5000 0.5000 0.3021 ( 12236 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9984 -25.9984 -25.9984 -25.9984 -11.3556 -11.3556 -11.0238 -11.0238 -11.0205 -11.0205 -11.0108 -11.0108 -9.6474 -9.6474 -9.6461 -9.6461 -9.4021 -9.4021 -9.3996 -9.3996 -9.3666 -9.3666 -9.3521 -9.3521 -1.3656 -1.3656 -0.9785 -0.9785 -0.5923 -0.5923 0.1900 0.1900 0.3590 0.3590 0.4435 0.4435 0.4867 0.4867 0.7245 0.7245 1.0973 1.0973 1.1565 1.1565 1.4250 1.4250 1.5341 1.5341 2.1036 2.1036 2.3383 2.3383 2.5441 2.5441 2.6896 2.6896 3.9728 3.9728 8.4789 8.4789 9.0225 9.0225 9.0274 9.0274 9.1456 9.1456 9.7310 9.7310 k = 0.5000 0.5000 0.3253 ( 12248 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9982 -25.9982 -25.9982 -25.9982 -11.3505 -11.3505 -11.0209 -11.0209 -11.0192 -11.0192 -11.0110 -11.0110 -9.6480 -9.6480 -9.6468 -9.6468 -9.4021 -9.4021 -9.3995 -9.3995 -9.3692 -9.3692 -9.3554 -9.3554 -1.3644 -1.3644 -0.9757 -0.9757 -0.5948 -0.5948 0.1945 0.1945 0.3385 0.3385 0.4448 0.4448 0.4620 0.4620 0.7179 0.7179 1.0851 1.0851 1.1669 1.1669 1.3994 1.3994 1.5298 1.5298 2.1212 2.1212 2.3325 2.3325 2.5320 2.5320 2.6760 2.6760 3.9786 3.9786 8.4668 8.4668 9.1055 9.1055 9.1085 9.1085 9.1760 9.1760 9.7861 9.7861 k = 0.5000 0.5000 0.3485 ( 12256 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5715 -44.5715 -25.9980 -25.9980 -25.9980 -25.9980 -11.3451 -11.3451 -11.0213 -11.0213 -11.0150 -11.0150 -11.0107 -11.0107 -9.6488 -9.6488 -9.6476 -9.6476 -9.4021 -9.4021 -9.3994 -9.3994 -9.3718 -9.3718 -9.3588 -9.3588 -1.3631 -1.3631 -0.9728 -0.9728 -0.5974 -0.5974 0.1989 0.1989 0.3161 0.3161 0.4368 0.4368 0.4472 0.4472 0.7091 0.7091 1.0755 1.0755 1.1774 1.1774 1.3736 1.3736 1.5253 1.5253 2.1380 2.1380 2.3265 2.3265 2.5211 2.5211 2.6626 2.6626 3.9846 3.9846 8.4507 8.4507 9.1791 9.1791 9.1889 9.1889 9.2168 9.2168 9.8450 9.8450 k = 0.5000 0.5000 0.3718 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9979 -25.9979 -25.9979 -25.9979 -11.3396 -11.3396 -11.0218 -11.0218 -11.0133 -11.0133 -11.0078 -11.0078 -9.6495 -9.6495 -9.6485 -9.6485 -9.4021 -9.4021 -9.3994 -9.3994 -9.3744 -9.3744 -9.3623 -9.3623 -1.3617 -1.3617 -0.9698 -0.9698 -0.6000 -0.6000 0.2031 0.2031 0.2926 0.2926 0.4113 0.4113 0.4501 0.4501 0.6982 0.6982 1.0686 1.0686 1.1880 1.1880 1.3477 1.3477 1.5207 1.5207 2.1537 2.1537 2.3204 2.3204 2.5118 2.5118 2.6494 2.6494 3.9908 3.9908 8.4304 8.4304 9.2178 9.2178 9.2715 9.2715 9.2876 9.2876 9.9075 9.9075 k = 0.5000 0.5000 0.3950 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9976 -25.9976 -25.9976 -25.9976 -11.3340 -11.3340 -11.0223 -11.0223 -11.0134 -11.0134 -11.0029 -11.0029 -9.6503 -9.6503 -9.6494 -9.6494 -9.4022 -9.4022 -9.3993 -9.3993 -9.3771 -9.3771 -9.3658 -9.3658 -1.3603 -1.3603 -0.9668 -0.9668 -0.6028 -0.6028 0.2069 0.2069 0.2683 0.2683 0.3859 0.3859 0.4533 0.4533 0.6853 0.6853 1.0643 1.0643 1.1981 1.1981 1.3224 1.3224 1.5160 1.5160 2.1680 2.1680 2.3140 2.3140 2.5046 2.5046 2.6366 2.6366 3.9971 3.9971 8.4059 8.4059 9.2449 9.2449 9.3517 9.3517 9.3663 9.3663 9.9733 9.9733 k = 0.5000 0.5000 0.4182 ( 12180 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9974 -25.9974 -25.9974 -25.9974 -11.3282 -11.3282 -11.0228 -11.0228 -11.0138 -11.0138 -10.9977 -10.9977 -9.6512 -9.6512 -9.6504 -9.6504 -9.4022 -9.4022 -9.3993 -9.3993 -9.3796 -9.3796 -9.3692 -9.3692 -1.3589 -1.3589 -0.9637 -0.9637 -0.6056 -0.6056 0.2101 0.2101 0.2435 0.2435 0.3610 0.3610 0.4563 0.4563 0.6709 0.6709 1.0625 1.0625 1.2069 1.2069 1.2987 1.2987 1.5113 1.5113 2.1803 2.1803 2.3075 2.3075 2.4998 2.4998 2.6243 2.6243 4.0035 4.0035 8.3776 8.3776 9.2689 9.2689 9.4278 9.4278 9.4425 9.4425 10.0417 10.0417 k = 0.5000 0.5000 0.4415 ( 12196 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9972 -25.9972 -25.9972 -25.9972 -11.3224 -11.3224 -11.0233 -11.0233 -11.0142 -11.0142 -10.9923 -10.9923 -9.6521 -9.6521 -9.6514 -9.6514 -9.4023 -9.4023 -9.3995 -9.3995 -9.3821 -9.3821 -9.3727 -9.3727 -1.3575 -1.3575 -0.9607 -0.9607 -0.6084 -0.6084 0.2120 0.2120 0.2185 0.2185 0.3373 0.3373 0.4590 0.4590 0.6555 0.6555 1.0629 1.0629 1.2123 1.2123 1.2788 1.2788 1.5065 1.5065 2.1903 2.1903 2.3008 2.3008 2.4978 2.4978 2.6124 2.6124 4.0100 4.0100 8.3457 8.3457 9.2905 9.2905 9.4983 9.4983 9.5135 9.5135 10.1113 10.1113 k = 0.5000 0.5000 0.4647 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9970 -25.9970 -25.9970 -25.9970 -11.3166 -11.3166 -11.0239 -11.0239 -11.0148 -11.0148 -10.9869 -10.9869 -9.6531 -9.6531 -9.6525 -9.6525 -9.4024 -9.4024 -9.3997 -9.3997 -9.3844 -9.3844 -9.3760 -9.3760 -1.3562 -1.3562 -0.9577 -0.9577 -0.6113 -0.6113 0.1936 0.1936 0.2120 0.2120 0.3158 0.3158 0.4611 0.4611 0.6396 0.6396 1.0651 1.0651 1.2094 1.2094 1.2677 1.2677 1.5018 1.5018 2.1978 2.1978 2.2941 2.2941 2.4987 2.4987 2.6011 2.6011 4.0165 4.0165 8.3107 8.3107 9.3099 9.3099 9.5615 9.5615 9.5772 9.5772 10.1775 10.1775 k = 0.5000 0.5000 0.4879 ( 12192 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9968 -25.9968 -25.9968 -25.9968 -11.3108 -11.3108 -11.0244 -11.0244 -11.0153 -11.0153 -10.9815 -10.9815 -9.6541 -9.6541 -9.6536 -9.6536 -9.4027 -9.4027 -9.4001 -9.4001 -9.3864 -9.3864 -9.3792 -9.3792 -1.3548 -1.3548 -0.9547 -0.9547 -0.6141 -0.6141 0.1690 0.1690 0.2087 0.2087 0.2979 0.2979 0.4622 0.4622 0.6240 0.6240 1.0689 1.0689 1.1957 1.1957 1.2680 1.2680 1.4971 1.4971 2.2027 2.2027 2.2875 2.2875 2.5026 2.5026 2.5904 2.5904 4.0229 4.0229 8.2731 8.2731 9.3272 9.3272 9.6160 9.6160 9.6319 9.6319 10.2250 10.2250 k = 0.5000 0.5000 0.5112 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5716 -44.5716 -25.9966 -25.9966 -25.9966 -25.9966 -11.3051 -11.3051 -11.0249 -11.0249 -11.0158 -11.0158 -10.9762 -10.9762 -9.6551 -9.6551 -9.6547 -9.6547 -9.4030 -9.4030 -9.4008 -9.4008 -9.3881 -9.3881 -9.3821 -9.3821 -1.3534 -1.3534 -0.9518 -0.9518 -0.6169 -0.6169 0.1449 0.1449 0.2006 0.2006 0.2852 0.2852 0.4620 0.4620 0.6093 0.6093 1.0738 1.0738 1.1762 1.1762 1.2748 1.2748 1.4925 1.4925 2.2052 2.2052 2.2809 2.2809 2.5093 2.5093 2.5804 2.5804 4.0293 4.0293 8.2337 8.2337 9.3423 9.3423 9.6608 9.6608 9.6766 9.6766 10.2345 10.2345 k = 0.5000 0.5000 0.5344 ( 12224 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9964 -25.9964 -25.9964 -25.9964 -11.2994 -11.2994 -11.0255 -11.0255 -11.0164 -11.0164 -10.9709 -10.9709 -9.6562 -9.6562 -9.6559 -9.6559 -9.4034 -9.4034 -9.4018 -9.4018 -9.3894 -9.3894 -9.3848 -9.3848 -1.3521 -1.3521 -0.9489 -0.9489 -0.6197 -0.6197 0.1213 0.1213 0.1876 0.1876 0.2780 0.2780 0.4601 0.4601 0.5962 0.5962 1.0796 1.0796 1.1551 1.1551 1.2838 1.2838 1.4880 1.4880 2.2055 2.2055 2.2743 2.2743 2.5183 2.5183 2.5709 2.5709 4.0355 4.0355 8.1929 8.1929 9.3553 9.3553 9.6956 9.6956 9.7107 9.7107 10.2219 10.2219 k = 0.5000 0.5000 0.5577 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9963 -25.9963 -25.9963 -25.9963 -11.2940 -11.2940 -11.0260 -11.0260 -11.0169 -11.0169 -10.9658 -10.9658 -9.6573 -9.6573 -9.6571 -9.6571 -9.4041 -9.4041 -9.4031 -9.4031 -9.3903 -9.3903 -9.3872 -9.3872 -1.3509 -1.3509 -0.9462 -0.9462 -0.6224 -0.6224 0.0987 0.0987 0.1711 0.1711 0.2752 0.2752 0.4563 0.4563 0.5853 0.5853 1.0860 1.0860 1.1340 1.1340 1.2937 1.2937 1.4837 1.4837 2.2042 2.2042 2.2680 2.2680 2.5293 2.5293 2.5622 2.5622 4.0415 4.0415 8.1516 8.1516 9.3663 9.3663 9.7207 9.7207 9.7346 9.7346 10.2027 10.2027 k = 0.5000 0.5000 0.5809 ( 12200 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9961 -25.9961 -25.9961 -25.9961 -11.2887 -11.2887 -11.0265 -11.0265 -11.0174 -11.0174 -10.9609 -10.9609 -9.6583 -9.6583 -9.6583 -9.6583 -9.4050 -9.4050 -9.4046 -9.4046 -9.3909 -9.3909 -9.3892 -9.3892 -1.3496 -1.3496 -0.9435 -0.9435 -0.6250 -0.6250 0.0770 0.0770 0.1528 0.1528 0.2749 0.2749 0.4503 0.4503 0.5770 0.5770 1.0928 1.0928 1.1137 1.1137 1.3036 1.3036 1.4796 1.4796 2.2015 2.2015 2.2619 2.2619 2.5416 2.5416 2.5541 2.5541 4.0473 4.0473 8.1104 8.1104 9.3753 9.3753 9.7367 9.7367 9.7492 9.7492 10.1816 10.1817 k = 0.5000 0.5000 0.6041 ( 12208 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9959 -25.9959 -25.9959 -25.9959 -11.2837 -11.2837 -11.0270 -11.0270 -11.0179 -11.0179 -10.9562 -10.9562 -9.6595 -9.6595 -9.6594 -9.6594 -9.4062 -9.4062 -9.4061 -9.4061 -9.3913 -9.3913 -9.3908 -9.3908 -1.3485 -1.3485 -0.9411 -0.9411 -0.6275 -0.6275 0.0565 0.0565 0.1342 0.1342 0.2759 0.2759 0.4424 0.4424 0.5712 0.5712 1.0944 1.0944 1.0997 1.0997 1.3133 1.3133 1.4757 1.4757 2.1979 2.1979 2.2561 2.2561 2.5467 2.5467 2.5547 2.5547 4.0528 4.0528 8.0698 8.0698 9.3826 9.3826 9.7450 9.7450 9.7559 9.7559 10.1605 10.1606 k = 0.5000 0.5000 0.6274 ( 12248 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9957 -25.9957 -25.9957 -25.9957 -11.2789 -11.2789 -11.0275 -11.0275 -11.0184 -11.0184 -10.9518 -10.9518 -9.6606 -9.6606 -9.6604 -9.6604 -9.4078 -9.4078 -9.4074 -9.4074 -9.3920 -9.3920 -9.3914 -9.3914 -1.3474 -1.3474 -0.9387 -0.9387 -0.6299 -0.6299 0.0372 0.0372 0.1160 0.1160 0.2776 0.2776 0.4331 0.4331 0.5675 0.5675 1.0764 1.0764 1.1065 1.1065 1.3226 1.3226 1.4720 1.4720 2.1936 2.1936 2.2506 2.2506 2.5399 2.5399 2.5681 2.5681 4.0581 4.0581 8.0307 8.0307 9.3883 9.3883 9.7470 9.7470 9.7563 9.7563 10.1403 10.1403 k = 0.5000 0.5000 0.6506 ( 12256 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9956 -25.9956 -25.9956 -25.9956 -11.2745 -11.2745 -11.0279 -11.0279 -11.0189 -11.0189 -10.9477 -10.9477 -9.6618 -9.6618 -9.6614 -9.6614 -9.4094 -9.4094 -9.4088 -9.4088 -9.3929 -9.3929 -9.3915 -9.3915 -1.3464 -1.3464 -0.9366 -0.9366 -0.6321 -0.6321 0.0194 0.0194 0.0988 0.0988 0.2796 0.2796 0.4230 0.4230 0.5656 0.5656 1.0598 1.0598 1.1131 1.1131 1.3314 1.3314 1.4685 1.4685 2.1892 2.1892 2.2454 2.2454 2.5338 2.5338 2.5814 2.5814 4.0629 4.0629 7.9934 7.9934 9.3926 9.3926 9.7442 9.7442 9.7520 9.7520 10.1215 10.1215 k = 0.5000 0.5000 0.6738 ( 12240 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9955 -25.9955 -25.9955 -25.9955 -11.2704 -11.2704 -11.0283 -11.0283 -11.0193 -11.0193 -10.9438 -10.9438 -9.6628 -9.6628 -9.6624 -9.6624 -9.4109 -9.4109 -9.4103 -9.4103 -9.3935 -9.3935 -9.3915 -9.3915 -1.3455 -1.3455 -0.9346 -0.9346 -0.6342 -0.6342 0.0031 0.0031 0.0829 0.0829 0.2816 0.2816 0.4127 0.4127 0.5648 0.5648 1.0448 1.0448 1.1194 1.1194 1.3395 1.3395 1.4654 1.4654 2.1848 2.1848 2.2407 2.2407 2.5284 2.5284 2.5944 2.5944 4.0674 4.0674 7.9586 7.9586 9.3957 9.3957 9.7380 9.7380 9.7445 9.7445 10.1045 10.1045 k = 0.5000 0.5000 0.6971 ( 12244 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5717 -44.5717 -25.9953 -25.9953 -25.9953 -25.9953 -11.2667 -11.2667 -11.0287 -11.0287 -11.0197 -11.0197 -10.9404 -10.9404 -9.6638 -9.6638 -9.6632 -9.6632 -9.4122 -9.4122 -9.4117 -9.4117 -9.3939 -9.3939 -9.3914 -9.3914 -1.3446 -1.3446 -0.9329 -0.9329 -0.6360 -0.6360 -0.0115 -0.0115 0.0685 0.0685 0.2835 0.2835 0.4027 0.4027 0.5649 0.5649 1.0314 1.0314 1.1253 1.1253 1.3468 1.3468 1.4626 1.4626 2.1805 2.1805 2.2365 2.2365 2.5236 2.5236 2.6065 2.6065 4.0715 4.0715 7.9267 7.9267 9.3978 9.3978 9.7299 9.7299 9.7353 9.7353 10.0893 10.0893 k = 0.5000 0.5000 0.7203 ( 12252 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9952 -25.9952 -25.9952 -25.9952 -11.2635 -11.2635 -11.0290 -11.0290 -11.0200 -11.0200 -10.9373 -10.9373 -9.6647 -9.6647 -9.6640 -9.6640 -9.4135 -9.4135 -9.4130 -9.4130 -9.3942 -9.3942 -9.3914 -9.3914 -1.3439 -1.3439 -0.9313 -0.9313 -0.6377 -0.6377 -0.0243 -0.0243 0.0557 0.0557 0.2852 0.2852 0.3935 0.3935 0.5654 0.5654 1.0197 1.0197 1.1305 1.1305 1.3534 1.3534 1.4601 1.4601 2.1766 2.1766 2.2327 2.2327 2.5195 2.5195 2.6175 2.6175 4.0750 4.0750 7.8982 7.8982 9.3992 9.3992 9.7208 9.7208 9.7253 9.7253 10.0761 10.0761 k = 0.5000 0.5000 0.7435 ( 12244 PWs) bands (ev): -80.5393 -80.5393 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9951 -25.9951 -11.2607 -11.2607 -11.0293 -11.0293 -11.0203 -11.0203 -10.9347 -10.9347 -9.6654 -9.6654 -9.6647 -9.6647 -9.4145 -9.4145 -9.4142 -9.4142 -9.3944 -9.3944 -9.3913 -9.3913 -1.3433 -1.3433 -0.9300 -0.9300 -0.6391 -0.6391 -0.0353 -0.0353 0.0447 0.0447 0.2868 0.2868 0.3853 0.3853 0.5661 0.5661 1.0097 1.0097 1.1351 1.1351 1.3590 1.3590 1.4580 1.4580 2.1731 2.1731 2.2295 2.2295 2.5160 2.5160 2.6272 2.6272 4.0781 4.0781 7.8734 7.8734 9.4000 9.4000 9.7117 9.7117 9.7155 9.7155 10.0649 10.0649 k = 0.5000 0.5000 0.7668 ( 12260 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9951 -25.9951 -25.9951 -25.9951 -11.2583 -11.2583 -11.0296 -11.0296 -11.0205 -11.0205 -10.9325 -10.9325 -9.6661 -9.6661 -9.6653 -9.6653 -9.4154 -9.4154 -9.4152 -9.4152 -9.3945 -9.3945 -9.3912 -9.3912 -1.3428 -1.3428 -0.9289 -0.9289 -0.6403 -0.6403 -0.0444 -0.0444 0.0356 0.0356 0.2880 0.2880 0.3783 0.3783 0.5669 0.5669 1.0015 1.0015 1.1390 1.1390 1.3637 1.3637 1.4562 1.4562 2.1701 2.1701 2.2267 2.2267 2.5132 2.5132 2.6353 2.6353 4.0807 4.0807 7.8526 7.8526 9.4004 9.4004 9.7034 9.7034 9.7067 9.7067 10.0557 10.0558 k = 0.5000 0.5000 0.7900 ( 12252 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9950 -25.9950 -11.2565 -11.2565 -11.0297 -11.0297 -11.0207 -11.0207 -10.9308 -10.9308 -9.6666 -9.6666 -9.6658 -9.6658 -9.4161 -9.4161 -9.4160 -9.4160 -9.3945 -9.3945 -9.3911 -9.3911 -1.3424 -1.3424 -0.9280 -0.9280 -0.6413 -0.6413 -0.0516 -0.0516 0.0284 0.0284 0.2891 0.2891 0.3728 0.3728 0.5676 0.5676 0.9951 0.9951 1.1421 1.1421 1.3674 1.3674 1.4548 1.4548 2.1677 2.1677 2.2246 2.2246 2.5110 2.5110 2.6419 2.6419 4.0827 4.0827 7.8363 7.8363 9.4006 9.4006 9.6963 9.6963 9.6993 9.6993 10.0486 10.0486 k = 0.5000 0.5000 0.8132 ( 12264 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9950 -25.9950 -25.9950 -25.9950 -11.2552 -11.2552 -11.0299 -11.0299 -11.0209 -11.0209 -10.9295 -10.9295 -9.6670 -9.6670 -9.6661 -9.6661 -9.4166 -9.4166 -9.4166 -9.4166 -9.3946 -9.3946 -9.3911 -9.3911 -1.3421 -1.3421 -0.9274 -0.9274 -0.6419 -0.6419 -0.0567 -0.0567 0.0232 0.0232 0.2898 0.2898 0.3687 0.3687 0.5681 0.5681 0.9905 0.9905 1.1443 1.1443 1.3701 1.3701 1.4539 1.4539 2.1660 2.1660 2.2231 2.2231 2.5094 2.5094 2.6466 2.6466 4.0841 4.0841 7.8244 7.8244 9.4006 9.4006 9.6910 9.6910 9.6937 9.6937 10.0435 10.0435 k = 0.5000 0.5000 0.8365 ( 12272 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2544 -11.2544 -11.0300 -11.0300 -11.0210 -11.0210 -10.9288 -10.9288 -9.6672 -9.6672 -9.6663 -9.6663 -9.4170 -9.4170 -9.4169 -9.4169 -9.3946 -9.3946 -9.3910 -9.3910 -1.3419 -1.3419 -0.9271 -0.9271 -0.6423 -0.6423 -0.0598 -0.0598 0.0201 0.0201 0.2902 0.2902 0.3663 0.3663 0.5685 0.5685 0.9877 0.9877 1.1457 1.1457 1.3717 1.3717 1.4533 1.4533 2.1649 2.1649 2.2222 2.2222 2.5085 2.5085 2.6495 2.6495 4.0850 4.0850 7.8172 7.8172 9.4006 9.4006 9.6877 9.6877 9.6903 9.6903 10.0405 10.0405 k = 0.5000 0.5000 0.8597 ( 12248 PWs) bands (ev): -80.5394 -80.5394 -49.4005 -49.4005 -45.1940 -45.1940 -44.5718 -44.5718 -25.9949 -25.9949 -25.9949 -25.9949 -11.2541 -11.2541 -11.0300 -11.0300 -11.0210 -11.0210 -10.9285 -10.9285 -9.6673 -9.6673 -9.6664 -9.6664 -9.4171 -9.4171 -9.4170 -9.4170 -9.3946 -9.3946 -9.3910 -9.3910 -1.3418 -1.3418 -0.9269 -0.9269 -0.6425 -0.6425 -0.0609 -0.0609 0.0191 0.0191 0.2904 0.2904 0.3655 0.3655 0.5686 0.5686 0.9868 0.9868 1.1461 1.1461 1.3722 1.3722 1.4531 1.4531 2.1646 2.1646 2.2219 2.2219 2.5082 2.5082 2.6505 2.6505 4.0853 4.0853 7.8148 7.8148 9.4006 9.4006 9.6866 9.6866 9.6891 9.6891 10.0395 10.0395 Writing output data file K2PdBr4.save init_run : 0.64s CPU 0.88s WALL ( 1 calls) electrons : 414.02s CPU 418.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 414.01s CPU 418.97s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 268 calls) cegterg : 385.69s CPU 389.67s WALL ( 510 calls) Called by sum_band: Called by *egterg: h_psi : 232.97s CPU 236.98s WALL ( 7838 calls) s_psi : 7.86s CPU 7.95s WALL ( 7838 calls) g_psi : 0.44s CPU 0.42s WALL ( 7060 calls) cdiaghg : 124.90s CPU 125.23s WALL ( 7328 calls) cegterg:over : 17.90s CPU 18.01s WALL ( 7060 calls) cegterg:upda : 13.36s CPU 13.53s WALL ( 7060 calls) cegterg:last : 6.88s CPU 6.88s WALL ( 1046 calls) cdiaghg:chol : 5.24s CPU 5.44s WALL ( 7328 calls) cdiaghg:inve : 4.06s CPU 3.84s WALL ( 7328 calls) cdiaghg:para : 7.21s CPU 7.23s WALL ( 14656 calls) Called by h_psi: h_psi:vloc : 213.93s CPU 217.68s WALL ( 7838 calls) h_psi:vnl : 18.66s CPU 18.83s WALL ( 7838 calls) add_vuspsi : 9.03s CPU 9.12s WALL ( 7838 calls) General routines calbec : 9.62s CPU 9.69s WALL ( 7838 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 203.69s CPU 207.40s WALL ( 989856 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.28s CPU 0.35s WALL ( 536 calls) Parallel routines fft_scatter : 123.80s CPU 126.22s WALL ( 989879 calls) PWSCF : 7m46.62s CPU 8m11.38s WALL This run was terminated on: 4:30:38 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=