Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:30:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaSbAu.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 26 7 3953 1116 173 Max 62 27 8 3962 1139 184 Sum 2221 955 283 142477 40689 6377 bravais-lattice index = 14 lattice parameter (alat) = 8.7041 a.u. unit-cell volume = 965.7322 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.704078 celldm(2)= 1.000000 celldm(3)= 1.691055 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.691055 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.591347 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Sb 5.00 121.76000 Sb( 1.00) Ca 10.00 40.07800 Ca( 1.00) Au 11.00 196.96660 Au( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8455276 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8455276 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -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 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8455276 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8455276 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8455276 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8455276 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8455276 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8455276 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8455276 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8455276 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8455276 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8455276 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0034483 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0034483 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0034483 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0034483 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0034483 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0034483 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0034483 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0034483 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0034483 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0034483 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0034483 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0034483 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0034483 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0034483 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0034483 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0034483 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0034483 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0034483 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0034483 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0034483 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0034483 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0034483 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0034483 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0034483 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0034483 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0034483 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0034483 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0034483 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0034483 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0034483 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0034483 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0034483 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0034483 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034483 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0034483 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0034483 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0034483 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0034483 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0034483 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0034483 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0034483 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0034483 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0034483 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0034483 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0034483 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0034483 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0034483 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0034483 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0034483 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0034483 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0034483 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0034483 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0034483 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0034483 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0034483 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0140797), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0281594), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0422391), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0563187), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.0703984), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.0844781), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.0985578), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1126375), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.1267172), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.1407969), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.1548765), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.1689562), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.1830359), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.1971156), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.2111953), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.2252750), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.2393546), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.2534343), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.2675140), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.2815937), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.2956734), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.2956734), wk = 0.0034483 k( 136) = ( 0.0125000 0.0072169 0.2956734), wk = 0.0034483 k( 137) = ( 0.0250000 0.0144338 0.2956734), wk = 0.0034483 k( 138) = ( 0.0375000 0.0216506 0.2956734), wk = 0.0034483 k( 139) = ( 0.0500000 0.0288675 0.2956734), wk = 0.0034483 k( 140) = ( 0.0625000 0.0360844 0.2956734), wk = 0.0034483 k( 141) = ( 0.0750000 0.0433013 0.2956734), wk = 0.0034483 k( 142) = ( 0.0875000 0.0505181 0.2956734), wk = 0.0034483 k( 143) = ( 0.1000000 0.0577350 0.2956734), wk = 0.0034483 k( 144) = ( 0.1125000 0.0649519 0.2956734), wk = 0.0034483 k( 145) = ( 0.1250000 0.0721688 0.2956734), wk = 0.0034483 k( 146) = ( 0.1375000 0.0793857 0.2956734), wk = 0.0034483 k( 147) = ( 0.1500000 0.0866025 0.2956734), wk = 0.0034483 k( 148) = ( 0.1625000 0.0938194 0.2956734), wk = 0.0034483 k( 149) = ( 0.1750000 0.1010363 0.2956734), wk = 0.0034483 k( 150) = ( 0.1875000 0.1082532 0.2956734), wk = 0.0034483 k( 151) = ( 0.2000000 0.1154701 0.2956734), wk = 0.0034483 k( 152) = ( 0.2125000 0.1226869 0.2956734), wk = 0.0034483 k( 153) = ( 0.2250000 0.1299038 0.2956734), wk = 0.0034483 k( 154) = ( 0.2375000 0.1371207 0.2956734), wk = 0.0034483 k( 155) = ( 0.2500000 0.1443376 0.2956734), wk = 0.0034483 k( 156) = ( 0.2625000 0.1515544 0.2956734), wk = 0.0034483 k( 157) = ( 0.2750000 0.1587713 0.2956734), wk = 0.0034483 k( 158) = ( 0.2875000 0.1659882 0.2956734), wk = 0.0034483 k( 159) = ( 0.3000000 0.1732051 0.2956734), wk = 0.0034483 k( 160) = ( 0.3125000 0.1804220 0.2956734), wk = 0.0034483 k( 161) = ( 0.3250000 0.1876388 0.2956734), wk = 0.0034483 k( 162) = ( 0.3375000 0.1948557 0.2956734), wk = 0.0034483 k( 163) = ( 0.3500000 0.2020726 0.2956734), wk = 0.0034483 k( 164) = ( 0.3625000 0.2092895 0.2956734), wk = 0.0034483 k( 165) = ( 0.3750000 0.2165064 0.2956734), wk = 0.0034483 k( 166) = ( 0.3875000 0.2237232 0.2956734), wk = 0.0034483 k( 167) = ( 0.4000000 0.2309401 0.2956734), wk = 0.0034483 k( 168) = ( 0.4125000 0.2381570 0.2956734), wk = 0.0034483 k( 169) = ( 0.4250000 0.2453739 0.2956734), wk = 0.0034483 k( 170) = ( 0.4375000 0.2525907 0.2956734), wk = 0.0034483 k( 171) = ( 0.4500000 0.2598076 0.2956734), wk = 0.0034483 k( 172) = ( 0.4625000 0.2670245 0.2956734), wk = 0.0034483 k( 173) = ( 0.4750000 0.2742414 0.2956734), wk = 0.0034483 k( 174) = ( 0.4875000 0.2814583 0.2956734), wk = 0.0034483 k( 175) = ( 0.5000000 0.2886751 0.2956734), wk = 0.0034483 k( 176) = ( 0.5000000 0.2886751 0.2956734), wk = 0.0034483 k( 177) = ( 0.4927536 0.3012262 0.2956734), wk = 0.0034483 k( 178) = ( 0.4855073 0.3137773 0.2956734), wk = 0.0034483 k( 179) = ( 0.4782609 0.3263284 0.2956734), wk = 0.0034483 k( 180) = ( 0.4710145 0.3388795 0.2956734), wk = 0.0034483 k( 181) = ( 0.4637681 0.3514306 0.2956734), wk = 0.0034483 k( 182) = ( 0.4565217 0.3639817 0.2956734), wk = 0.0034483 k( 183) = ( 0.4492754 0.3765328 0.2956734), wk = 0.0034483 k( 184) = ( 0.4420290 0.3890839 0.2956734), wk = 0.0034483 k( 185) = ( 0.4347826 0.4016350 0.2956734), wk = 0.0034483 k( 186) = ( 0.4275362 0.4141861 0.2956734), wk = 0.0034483 k( 187) = ( 0.4202899 0.4267372 0.2956734), wk = 0.0034483 k( 188) = ( 0.4130435 0.4392882 0.2956734), wk = 0.0034483 k( 189) = ( 0.4057971 0.4518393 0.2956734), wk = 0.0034483 k( 190) = ( 0.3985507 0.4643904 0.2956734), wk = 0.0034483 k( 191) = ( 0.3913044 0.4769415 0.2956734), wk = 0.0034483 k( 192) = ( 0.3840580 0.4894926 0.2956734), wk = 0.0034483 k( 193) = ( 0.3768116 0.5020437 0.2956734), wk = 0.0034483 k( 194) = ( 0.3695652 0.5145948 0.2956734), wk = 0.0034483 k( 195) = ( 0.3623188 0.5271459 0.2956734), wk = 0.0034483 k( 196) = ( 0.3550725 0.5396970 0.2956734), wk = 0.0034483 k( 197) = ( 0.3478261 0.5522481 0.2956734), wk = 0.0034483 k( 198) = ( 0.3405797 0.5647992 0.2956734), wk = 0.0034483 k( 199) = ( 0.3333333 0.5773503 0.2956734), wk = 0.0034483 k( 200) = ( 0.3333333 0.5773503 0.2956734), wk = 0.0034483 k( 201) = ( 0.3260870 0.5647992 0.2956734), wk = 0.0034483 k( 202) = ( 0.3188406 0.5522481 0.2956734), wk = 0.0034483 k( 203) = ( 0.3115942 0.5396970 0.2956734), wk = 0.0034483 k( 204) = ( 0.3043478 0.5271459 0.2956734), wk = 0.0034483 k( 205) = ( 0.2971014 0.5145948 0.2956734), wk = 0.0034483 k( 206) = ( 0.2898551 0.5020437 0.2956734), wk = 0.0034483 k( 207) = ( 0.2826087 0.4894926 0.2956734), wk = 0.0034483 k( 208) = ( 0.2753623 0.4769415 0.2956734), wk = 0.0034483 k( 209) = ( 0.2681159 0.4643904 0.2956734), wk = 0.0034483 k( 210) = ( 0.2608696 0.4518393 0.2956734), wk = 0.0034483 k( 211) = ( 0.2536232 0.4392883 0.2956734), wk = 0.0034483 k( 212) = ( 0.2463768 0.4267372 0.2956734), wk = 0.0034483 k( 213) = ( 0.2391304 0.4141861 0.2956734), wk = 0.0034483 k( 214) = ( 0.2318841 0.4016350 0.2956734), wk = 0.0034483 k( 215) = ( 0.2246377 0.3890839 0.2956734), wk = 0.0034483 k( 216) = ( 0.2173913 0.3765328 0.2956734), wk = 0.0034483 k( 217) = ( 0.2101449 0.3639817 0.2956734), wk = 0.0034483 k( 218) = ( 0.2028986 0.3514306 0.2956734), wk = 0.0034483 k( 219) = ( 0.1956522 0.3388795 0.2956734), wk = 0.0034483 k( 220) = ( 0.1884058 0.3263284 0.2956734), wk = 0.0034483 k( 221) = ( 0.1811594 0.3137773 0.2956734), wk = 0.0034483 k( 222) = ( 0.1739130 0.3012262 0.2956734), wk = 0.0034483 k( 223) = ( 0.1666667 0.2886751 0.2956734), wk = 0.0034483 k( 224) = ( 0.1594203 0.2761240 0.2956734), wk = 0.0034483 k( 225) = ( 0.1521739 0.2635729 0.2956734), wk = 0.0034483 k( 226) = ( 0.1449275 0.2510219 0.2956734), wk = 0.0034483 k( 227) = ( 0.1376812 0.2384708 0.2956734), wk = 0.0034483 k( 228) = ( 0.1304348 0.2259197 0.2956734), wk = 0.0034483 k( 229) = ( 0.1231884 0.2133686 0.2956734), wk = 0.0034483 k( 230) = ( 0.1159420 0.2008175 0.2956734), wk = 0.0034483 k( 231) = ( 0.1086957 0.1882664 0.2956734), wk = 0.0034483 k( 232) = ( 0.1014493 0.1757153 0.2956734), wk = 0.0034483 k( 233) = ( 0.0942029 0.1631642 0.2956734), wk = 0.0034483 k( 234) = ( 0.0869565 0.1506131 0.2956734), wk = 0.0034483 k( 235) = ( 0.0797101 0.1380620 0.2956734), wk = 0.0034483 k( 236) = ( 0.0724638 0.1255109 0.2956734), wk = 0.0034483 k( 237) = ( 0.0652174 0.1129598 0.2956734), wk = 0.0034483 k( 238) = ( 0.0579710 0.1004087 0.2956734), wk = 0.0034483 k( 239) = ( 0.0507246 0.0878577 0.2956734), wk = 0.0034483 k( 240) = ( 0.0434783 0.0753066 0.2956734), wk = 0.0034483 k( 241) = ( 0.0362319 0.0627555 0.2956734), wk = 0.0034483 k( 242) = ( 0.0289855 0.0502044 0.2956734), wk = 0.0034483 k( 243) = ( 0.0217391 0.0376533 0.2956734), wk = 0.0034483 k( 244) = ( 0.0144928 0.0251022 0.2956734), wk = 0.0034483 k( 245) = ( 0.0072464 0.0125511 0.2956734), wk = 0.0034483 k( 246) = ( 0.0000000 0.0000000 0.2956734), wk = 0.0034483 k( 247) = ( 0.5000000 0.2886751 0.2956734), wk = 0.0034483 k( 248) = ( 0.5000000 0.2886751 0.2815937), wk = 0.0034483 k( 249) = ( 0.5000000 0.2886751 0.2675140), wk = 0.0034483 k( 250) = ( 0.5000000 0.2886751 0.2534343), wk = 0.0034483 k( 251) = ( 0.5000000 0.2886751 0.2393546), wk = 0.0034483 k( 252) = ( 0.5000000 0.2886751 0.2252750), wk = 0.0034483 k( 253) = ( 0.5000000 0.2886751 0.2111953), wk = 0.0034483 k( 254) = ( 0.5000000 0.2886751 0.1971156), wk = 0.0034483 k( 255) = ( 0.5000000 0.2886751 0.1830359), wk = 0.0034483 k( 256) = ( 0.5000000 0.2886751 0.1689562), wk = 0.0034483 k( 257) = ( 0.5000000 0.2886751 0.1548765), wk = 0.0034483 k( 258) = ( 0.5000000 0.2886751 0.1407969), wk = 0.0034483 k( 259) = ( 0.5000000 0.2886751 0.1267172), wk = 0.0034483 k( 260) = ( 0.5000000 0.2886751 0.1126375), wk = 0.0034483 k( 261) = ( 0.5000000 0.2886751 0.0985578), wk = 0.0034483 k( 262) = ( 0.5000000 0.2886751 0.0844781), wk = 0.0034483 k( 263) = ( 0.5000000 0.2886751 0.0703984), wk = 0.0034483 k( 264) = ( 0.5000000 0.2886751 0.0563187), wk = 0.0034483 k( 265) = ( 0.5000000 0.2886751 0.0422391), wk = 0.0034483 k( 266) = ( 0.5000000 0.2886751 0.0281594), wk = 0.0034483 k( 267) = ( 0.5000000 0.2886751 0.0140797), wk = 0.0034483 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 270) = ( 0.3333333 0.5773503 0.0140797), wk = 0.0034483 k( 271) = ( 0.3333333 0.5773503 0.0281594), wk = 0.0034483 k( 272) = ( 0.3333333 0.5773503 0.0422391), wk = 0.0034483 k( 273) = ( 0.3333333 0.5773503 0.0563187), wk = 0.0034483 k( 274) = ( 0.3333333 0.5773503 0.0703984), wk = 0.0034483 k( 275) = ( 0.3333333 0.5773503 0.0844781), wk = 0.0034483 k( 276) = ( 0.3333333 0.5773503 0.0985578), wk = 0.0034483 k( 277) = ( 0.3333333 0.5773503 0.1126375), wk = 0.0034483 k( 278) = ( 0.3333333 0.5773503 0.1267172), wk = 0.0034483 k( 279) = ( 0.3333333 0.5773503 0.1407969), wk = 0.0034483 k( 280) = ( 0.3333333 0.5773503 0.1548765), wk = 0.0034483 k( 281) = ( 0.3333333 0.5773503 0.1689562), wk = 0.0034483 k( 282) = ( 0.3333333 0.5773503 0.1830359), wk = 0.0034483 k( 283) = ( 0.3333333 0.5773503 0.1971156), wk = 0.0034483 k( 284) = ( 0.3333333 0.5773503 0.2111953), wk = 0.0034483 k( 285) = ( 0.3333333 0.5773503 0.2252750), wk = 0.0034483 k( 286) = ( 0.3333333 0.5773503 0.2393546), wk = 0.0034483 k( 287) = ( 0.3333333 0.5773503 0.2534343), wk = 0.0034483 k( 288) = ( 0.3333333 0.5773503 0.2675140), wk = 0.0034483 k( 289) = ( 0.3333333 0.5773503 0.2815937), wk = 0.0034483 k( 290) = ( 0.3333333 0.5773503 0.2956734), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 43) = ( 0.4927536 0.0144928 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0034483 k( 45) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0034483 k( 46) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0034483 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0034483 k( 48) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0034483 k( 50) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0034483 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0034483 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0034483 k( 53) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0034483 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0034483 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0034483 k( 56) = ( 0.3985507 0.2028986 0.0000000), wk = 0.0034483 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0034483 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0034483 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0034483 k( 60) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0034483 k( 61) = ( 0.3623188 0.2753623 -0.0000000), wk = 0.0034483 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0034483 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0034483 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0034483 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0034483 k( 68) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0034483 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0034483 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0034483 k( 71) = ( 0.2971014 0.2971015 -0.0000000), wk = 0.0034483 k( 72) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0034483 k( 73) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0034483 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0034483 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0034483 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0034483 k( 77) = ( 0.2536232 0.2536232 -0.0000000), wk = 0.0034483 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0034483 k( 79) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0034483 k( 80) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0034483 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0034483 k( 82) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0034483 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0034483 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0034483 k( 85) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0034483 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0034483 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0034483 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0034483 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034483 k( 90) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0034483 k( 91) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0034483 k( 92) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0034483 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0034483 k( 94) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0034483 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0034483 k( 96) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0034483 k( 97) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0034483 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0034483 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0034483 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0034483 k( 101) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0034483 k( 102) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0034483 k( 103) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0034483 k( 104) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0034483 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0034483 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0034483 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0034483 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0034483 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0034483 k( 110) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0034483 k( 111) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 136) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0034483 k( 137) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0034483 k( 138) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0034483 k( 139) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0034483 k( 140) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0034483 k( 141) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0034483 k( 142) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0034483 k( 143) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0034483 k( 144) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0034483 k( 145) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0034483 k( 146) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0034483 k( 147) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0034483 k( 148) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0034483 k( 149) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0034483 k( 150) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0034483 k( 151) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0034483 k( 152) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0034483 k( 153) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0034483 k( 154) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0034483 k( 155) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034483 k( 156) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0034483 k( 157) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0034483 k( 158) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0034483 k( 159) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0034483 k( 160) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0034483 k( 161) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0034483 k( 162) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0034483 k( 163) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0034483 k( 164) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0034483 k( 165) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0034483 k( 166) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0034483 k( 167) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0034483 k( 168) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0034483 k( 169) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0034483 k( 170) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0034483 k( 171) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0034483 k( 172) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0034483 k( 173) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0034483 k( 174) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0034483 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 177) = ( 0.4927536 0.0144928 0.5000000), wk = 0.0034483 k( 178) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0034483 k( 179) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0034483 k( 180) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0034483 k( 181) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0034483 k( 182) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0034483 k( 183) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0034483 k( 184) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0034483 k( 185) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0034483 k( 186) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0034483 k( 187) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0034483 k( 188) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0034483 k( 189) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0034483 k( 190) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0034483 k( 191) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0034483 k( 192) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0034483 k( 193) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0034483 k( 194) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0034483 k( 195) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0034483 k( 196) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0034483 k( 197) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0034483 k( 198) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0034483 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 201) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0034483 k( 202) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0034483 k( 203) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0034483 k( 204) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0034483 k( 205) = ( 0.2971014 0.2971015 0.5000000), wk = 0.0034483 k( 206) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0034483 k( 207) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0034483 k( 208) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0034483 k( 209) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0034483 k( 210) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0034483 k( 211) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0034483 k( 212) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0034483 k( 213) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0034483 k( 214) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0034483 k( 215) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0034483 k( 216) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0034483 k( 217) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0034483 k( 218) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0034483 k( 219) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0034483 k( 220) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0034483 k( 221) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0034483 k( 222) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0034483 k( 223) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034483 k( 224) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0034483 k( 225) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0034483 k( 226) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0034483 k( 227) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0034483 k( 228) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0034483 k( 229) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0034483 k( 230) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0034483 k( 231) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0034483 k( 232) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0034483 k( 233) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0034483 k( 234) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0034483 k( 235) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0034483 k( 236) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0034483 k( 237) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0034483 k( 238) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0034483 k( 239) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0034483 k( 240) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0034483 k( 241) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0034483 k( 242) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0034483 k( 243) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0034483 k( 244) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0034483 k( 245) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0034483 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 248) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0034483 k( 249) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0034483 k( 250) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0034483 k( 251) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0034483 k( 252) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0034483 k( 253) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0034483 k( 254) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034483 k( 255) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0034483 k( 256) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0034483 k( 257) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0034483 k( 258) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0034483 k( 259) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0034483 k( 260) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0034483 k( 261) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034483 k( 262) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0034483 k( 263) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0034483 k( 264) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0034483 k( 265) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0034483 k( 266) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0034483 k( 267) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0034483 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 269) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 270) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0034483 k( 271) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0034483 k( 272) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0034483 k( 273) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0034483 k( 274) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0034483 k( 275) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0034483 k( 276) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034483 k( 277) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0034483 k( 278) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0034483 k( 279) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0034483 k( 280) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0034483 k( 281) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0034483 k( 282) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0034483 k( 283) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034483 k( 284) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0034483 k( 285) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0034483 k( 286) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0034483 k( 287) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0034483 k( 288) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0034483 k( 289) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0034483 k( 290) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 Dense grid: 142477 G-vectors FFT dimensions: ( 60, 60, 100) Smooth grid: 40689 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 282, 62) NL pseudopotentials 0.44 Mb ( 141, 204) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3955) G-vector shells 0.01 Mb ( 1759) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 282, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./CaSbAu.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 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.1 secs Computing kpt #: 7 total cpu time spent up to now is 11.4 secs Computing kpt #: 8 total cpu time spent up to now is 12.8 secs Computing kpt #: 9 total cpu time spent up to now is 14.1 secs Computing kpt #: 10 total cpu time spent up to now is 15.4 secs Computing kpt #: 11 total cpu time spent up to now is 16.8 secs Computing kpt #: 12 total cpu time spent up to now is 18.3 secs Computing kpt #: 13 total cpu time spent up to now is 19.8 secs Computing kpt #: 14 total cpu time spent up to now is 21.4 secs Computing kpt #: 15 total cpu time spent up to now is 22.9 secs Computing kpt #: 16 total cpu time spent up to now is 24.3 secs Computing kpt #: 17 total cpu time spent up to now is 26.0 secs Computing kpt #: 18 total cpu time spent up to now is 27.3 secs Computing kpt #: 19 total cpu time spent up to now is 28.8 secs Computing kpt #: 20 total cpu time spent up to now is 30.1 secs Computing kpt #: 21 total cpu time spent up to now is 31.6 secs Computing kpt #: 22 total cpu time spent up to now is 33.1 secs Computing kpt #: 23 total cpu time spent up to now is 35.2 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.3 secs Computing kpt #: 25 total cpu time spent up to now is 39.1 secs Computing kpt #: 26 total cpu time spent up to now is 41.2 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 43.4 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.5 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.7 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.8 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.0 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.1 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.5 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.6 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.7 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.8 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.0 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.1 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.3 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.5 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 73.7 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 75.9 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.0 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.2 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.4 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.6 secs Computing kpt #: 47 total cpu time spent up to now is 86.4 secs Computing kpt #: 48 total cpu time spent up to now is 88.1 secs Computing kpt #: 49 total cpu time spent up to now is 89.4 secs Computing kpt #: 50 total cpu time spent up to now is 90.7 secs Computing kpt #: 51 total cpu time spent up to now is 91.9 secs Computing kpt #: 52 total cpu time spent up to now is 93.2 secs Computing kpt #: 53 total cpu time spent up to now is 94.4 secs Computing kpt #: 54 total cpu time spent up to now is 95.7 secs Computing kpt #: 55 total cpu time spent up to now is 97.0 secs Computing kpt #: 56 total cpu time spent up to now is 98.2 secs Computing kpt #: 57 total cpu time spent up to now is 99.5 secs Computing kpt #: 58 total cpu time spent up to now is 100.8 secs Computing kpt #: 59 total cpu time spent up to now is 102.0 secs Computing kpt #: 60 total cpu time spent up to now is 103.7 secs Computing kpt #: 61 total cpu time spent up to now is 104.9 secs Computing kpt #: 62 total cpu time spent up to now is 106.1 secs Computing kpt #: 63 total cpu time spent up to now is 107.3 secs Computing kpt #: 64 total cpu time spent up to now is 108.4 secs Computing kpt #: 65 total cpu time spent up to now is 109.5 secs Computing kpt #: 66 total cpu time spent up to now is 110.7 secs Computing kpt #: 67 total cpu time spent up to now is 111.9 secs Computing kpt #: 68 total cpu time spent up to now is 113.2 secs Computing kpt #: 69 total cpu time spent up to now is 114.4 secs Computing kpt #: 70 total cpu time spent up to now is 115.5 secs Computing kpt #: 71 total cpu time spent up to now is 116.8 secs Computing kpt #: 72 total cpu time spent up to now is 117.9 secs Computing kpt #: 73 total cpu time spent up to now is 119.1 secs Computing kpt #: 74 total cpu time spent up to now is 120.2 secs Computing kpt #: 75 total cpu time spent up to now is 121.3 secs Computing kpt #: 76 total cpu time spent up to now is 122.3 secs Computing kpt #: 77 total cpu time spent up to now is 123.4 secs Computing kpt #: 78 total cpu time spent up to now is 124.5 secs Computing kpt #: 79 total cpu time spent up to now is 125.5 secs Computing kpt #: 80 total cpu time spent up to now is 126.6 secs Computing kpt #: 81 total cpu time spent up to now is 127.7 secs Computing kpt #: 82 total cpu time spent up to now is 128.9 secs Computing kpt #: 83 total cpu time spent up to now is 130.2 secs Computing kpt #: 84 total cpu time spent up to now is 131.4 secs Computing kpt #: 85 total cpu time spent up to now is 132.9 secs Computing kpt #: 86 total cpu time spent up to now is 134.2 secs Computing kpt #: 87 total cpu time spent up to now is 135.7 secs Computing kpt #: 88 total cpu time spent up to now is 137.2 secs Computing kpt #: 89 total cpu time spent up to now is 138.9 secs Computing kpt #: 90 total cpu time spent up to now is 140.7 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.8 secs Computing kpt #: 92 total cpu time spent up to now is 144.2 secs Computing kpt #: 93 total cpu time spent up to now is 146.0 secs Computing kpt #: 94 total cpu time spent up to now is 147.5 secs Computing kpt #: 95 total cpu time spent up to now is 148.9 secs Computing kpt #: 96 total cpu time spent up to now is 150.2 secs Computing kpt #: 97 total cpu time spent up to now is 151.6 secs Computing kpt #: 98 total cpu time spent up to now is 153.0 secs Computing kpt #: 99 total cpu time spent up to now is 154.5 secs Computing kpt #: 100 total cpu time spent up to now is 156.1 secs Computing kpt #: 101 total cpu time spent up to now is 158.2 secs Computing kpt #: 102 total cpu time spent up to now is 159.5 secs Computing kpt #: 103 total cpu time spent up to now is 160.8 secs Computing kpt #: 104 total cpu time spent up to now is 162.1 secs Computing kpt #: 105 total cpu time spent up to now is 163.5 secs Computing kpt #: 106 total cpu time spent up to now is 164.8 secs Computing kpt #: 107 total cpu time spent up to now is 166.0 secs Computing kpt #: 108 total cpu time spent up to now is 167.2 secs Computing kpt #: 109 total cpu time spent up to now is 168.4 secs Computing kpt #: 110 total cpu time spent up to now is 169.5 secs Computing kpt #: 111 total cpu time spent up to now is 170.7 secs Computing kpt #: 112 total cpu time spent up to now is 171.8 secs Computing kpt #: 113 total cpu time spent up to now is 172.9 secs Computing kpt #: 114 total cpu time spent up to now is 174.0 secs Computing kpt #: 115 total cpu time spent up to now is 175.1 secs Computing kpt #: 116 total cpu time spent up to now is 176.2 secs Computing kpt #: 117 total cpu time spent up to now is 177.3 secs Computing kpt #: 118 total cpu time spent up to now is 178.4 secs Computing kpt #: 119 total cpu time spent up to now is 179.6 secs Computing kpt #: 120 total cpu time spent up to now is 180.7 secs Computing kpt #: 121 total cpu time spent up to now is 181.9 secs Computing kpt #: 122 total cpu time spent up to now is 183.0 secs Computing kpt #: 123 total cpu time spent up to now is 184.3 secs Computing kpt #: 124 total cpu time spent up to now is 185.5 secs Computing kpt #: 125 total cpu time spent up to now is 186.7 secs Computing kpt #: 126 total cpu time spent up to now is 188.0 secs Computing kpt #: 127 total cpu time spent up to now is 189.4 secs Computing kpt #: 128 total cpu time spent up to now is 190.7 secs Computing kpt #: 129 total cpu time spent up to now is 192.0 secs Computing kpt #: 130 total cpu time spent up to now is 193.3 secs Computing kpt #: 131 total cpu time spent up to now is 194.6 secs Computing kpt #: 132 total cpu time spent up to now is 195.9 secs Computing kpt #: 133 total cpu time spent up to now is 197.4 secs Computing kpt #: 134 total cpu time spent up to now is 198.8 secs Computing kpt #: 135 total cpu time spent up to now is 200.4 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 203.0 secs Computing kpt #: 138 total cpu time spent up to now is 204.2 secs Computing kpt #: 139 total cpu time spent up to now is 205.6 secs Computing kpt #: 140 total cpu time spent up to now is 206.8 secs Computing kpt #: 141 total cpu time spent up to now is 208.1 secs Computing kpt #: 142 total cpu time spent up to now is 209.3 secs Computing kpt #: 143 total cpu time spent up to now is 210.5 secs Computing kpt #: 144 total cpu time spent up to now is 211.7 secs Computing kpt #: 145 total cpu time spent up to now is 212.9 secs Computing kpt #: 146 total cpu time spent up to now is 214.1 secs Computing kpt #: 147 total cpu time spent up to now is 215.3 secs Computing kpt #: 148 total cpu time spent up to now is 216.5 secs Computing kpt #: 149 total cpu time spent up to now is 217.7 secs Computing kpt #: 150 total cpu time spent up to now is 219.0 secs Computing kpt #: 151 total cpu time spent up to now is 220.2 secs Computing kpt #: 152 total cpu time spent up to now is 221.5 secs Computing kpt #: 153 total cpu time spent up to now is 222.8 secs Computing kpt #: 154 total cpu time spent up to now is 224.0 secs Computing kpt #: 155 total cpu time spent up to now is 225.3 secs Computing kpt #: 156 total cpu time spent up to now is 226.6 secs Computing kpt #: 157 total cpu time spent up to now is 227.8 secs Computing kpt #: 158 total cpu time spent up to now is 229.1 secs Computing kpt #: 159 total cpu time spent up to now is 230.3 secs Computing kpt #: 160 total cpu time spent up to now is 231.6 secs Computing kpt #: 161 total cpu time spent up to now is 232.8 secs Computing kpt #: 162 total cpu time spent up to now is 234.1 secs Computing kpt #: 163 total cpu time spent up to now is 235.4 secs Computing kpt #: 164 total cpu time spent up to now is 236.6 secs Computing kpt #: 165 total cpu time spent up to now is 237.8 secs Computing kpt #: 166 total cpu time spent up to now is 239.3 secs Computing kpt #: 167 total cpu time spent up to now is 240.6 secs Computing kpt #: 168 total cpu time spent up to now is 242.4 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.5 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.6 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.7 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.8 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.9 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.0 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.1 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.2 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.3 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.3 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.4 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.5 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.6 secs Computing kpt #: 182 total cpu time spent up to now is 271.5 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.6 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.7 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.9 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.1 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.3 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.4 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.6 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.7 secs Computing kpt #: 191 total cpu time spent up to now is 290.8 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.0 secs Computing kpt #: 193 total cpu time spent up to now is 294.6 secs Computing kpt #: 194 total cpu time spent up to now is 296.3 secs Computing kpt #: 195 total cpu time spent up to now is 297.9 secs Computing kpt #: 196 total cpu time spent up to now is 299.5 secs Computing kpt #: 197 total cpu time spent up to now is 301.0 secs Computing kpt #: 198 total cpu time spent up to now is 302.7 secs Computing kpt #: 199 total cpu time spent up to now is 304.5 secs Computing kpt #: 200 total cpu time spent up to now is 306.2 secs Computing kpt #: 201 total cpu time spent up to now is 307.7 secs Computing kpt #: 202 total cpu time spent up to now is 309.3 secs Computing kpt #: 203 total cpu time spent up to now is 311.0 secs Computing kpt #: 204 total cpu time spent up to now is 312.9 secs Computing kpt #: 205 total cpu time spent up to now is 314.6 secs Computing kpt #: 206 total cpu time spent up to now is 316.3 secs Computing kpt #: 207 total cpu time spent up to now is 317.9 secs Computing kpt #: 208 total cpu time spent up to now is 320.1 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.3 secs Computing kpt #: 210 total cpu time spent up to now is 324.3 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.5 secs Computing kpt #: 212 total cpu time spent up to now is 328.1 secs Computing kpt #: 213 total cpu time spent up to now is 329.4 secs Computing kpt #: 214 total cpu time spent up to now is 330.8 secs Computing kpt #: 215 total cpu time spent up to now is 332.1 secs Computing kpt #: 216 total cpu time spent up to now is 333.4 secs Computing kpt #: 217 total cpu time spent up to now is 334.7 secs Computing kpt #: 218 total cpu time spent up to now is 336.0 secs Computing kpt #: 219 total cpu time spent up to now is 337.2 secs Computing kpt #: 220 total cpu time spent up to now is 338.5 secs Computing kpt #: 221 total cpu time spent up to now is 340.2 secs Computing kpt #: 222 total cpu time spent up to now is 341.6 secs Computing kpt #: 223 total cpu time spent up to now is 343.0 secs Computing kpt #: 224 total cpu time spent up to now is 344.4 secs Computing kpt #: 225 total cpu time spent up to now is 345.7 secs Computing kpt #: 226 total cpu time spent up to now is 347.1 secs Computing kpt #: 227 total cpu time spent up to now is 348.3 secs Computing kpt #: 228 total cpu time spent up to now is 349.7 secs Computing kpt #: 229 total cpu time spent up to now is 351.1 secs Computing kpt #: 230 total cpu time spent up to now is 352.4 secs Computing kpt #: 231 total cpu time spent up to now is 353.7 secs Computing kpt #: 232 total cpu time spent up to now is 355.1 secs Computing kpt #: 233 total cpu time spent up to now is 356.4 secs Computing kpt #: 234 total cpu time spent up to now is 357.7 secs Computing kpt #: 235 total cpu time spent up to now is 359.0 secs Computing kpt #: 236 total cpu time spent up to now is 360.4 secs Computing kpt #: 237 total cpu time spent up to now is 361.7 secs Computing kpt #: 238 total cpu time spent up to now is 363.0 secs Computing kpt #: 239 total cpu time spent up to now is 364.3 secs Computing kpt #: 240 total cpu time spent up to now is 365.6 secs Computing kpt #: 241 total cpu time spent up to now is 366.9 secs Computing kpt #: 242 total cpu time spent up to now is 368.3 secs Computing kpt #: 243 total cpu time spent up to now is 369.7 secs Computing kpt #: 244 total cpu time spent up to now is 371.0 secs Computing kpt #: 245 total cpu time spent up to now is 372.5 secs Computing kpt #: 246 total cpu time spent up to now is 373.8 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 375.9 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.0 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.0 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.1 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.2 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 386.3 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.5 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.6 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 392.8 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.9 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.1 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.2 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.4 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.6 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 405.8 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 407.9 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 410.1 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 412.3 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.5 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.7 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 418.8 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 421.0 secs Computing kpt #: 269 total cpu time spent up to now is 422.1 secs Computing kpt #: 270 total cpu time spent up to now is 423.3 secs Computing kpt #: 271 total cpu time spent up to now is 424.5 secs Computing kpt #: 272 total cpu time spent up to now is 425.7 secs Computing kpt #: 273 total cpu time spent up to now is 426.8 secs Computing kpt #: 274 total cpu time spent up to now is 428.0 secs Computing kpt #: 275 total cpu time spent up to now is 429.1 secs Computing kpt #: 276 total cpu time spent up to now is 430.3 secs Computing kpt #: 277 total cpu time spent up to now is 431.5 secs Computing kpt #: 278 total cpu time spent up to now is 432.7 secs Computing kpt #: 279 total cpu time spent up to now is 434.0 secs Computing kpt #: 280 total cpu time spent up to now is 435.2 secs Computing kpt #: 281 total cpu time spent up to now is 436.5 secs Computing kpt #: 282 total cpu time spent up to now is 437.8 secs Computing kpt #: 283 total cpu time spent up to now is 439.1 secs Computing kpt #: 284 total cpu time spent up to now is 440.5 secs Computing kpt #: 285 total cpu time spent up to now is 442.2 secs Computing kpt #: 286 total cpu time spent up to now is 443.7 secs Computing kpt #: 287 total cpu time spent up to now is 445.9 secs Computing kpt #: 288 total cpu time spent up to now is 447.6 secs Computing kpt #: 289 total cpu time spent up to now is 449.4 secs Computing kpt #: 290 total cpu time spent up to now is 450.9 secs ethr = 1.92E-08, avg # of iterations = 68.0 total cpu time spent up to now is 450.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5143 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5347 -12.5347 -12.2186 -12.2186 -12.1647 -12.1647 -12.1483 -12.1483 -12.1374 -12.1374 -1.0371 -1.0371 -0.3458 -0.3458 3.4309 3.4309 3.5402 3.5402 4.2850 4.2850 4.3993 4.3993 4.4585 4.4585 4.7364 4.7364 5.5986 5.5986 5.6349 5.6349 5.7848 5.7848 5.8792 5.8792 6.4328 6.4328 9.3616 9.3616 9.5331 9.5331 9.6403 9.6403 9.9031 9.9031 10.4053 10.4053 10.7377 10.7377 11.1982 11.1982 11.8807 11.8807 11.8846 11.8846 11.9512 11.9512 k = 0.0125 0.0072-0.0000 ( 5145 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5347 -12.5347 -12.2186 -12.2186 -12.1647 -12.1647 -12.1483 -12.1483 -12.1374 -12.1374 -1.0358 -1.0358 -0.3450 -0.3450 3.4314 3.4314 3.5403 3.5403 4.2853 4.2853 4.3990 4.3990 4.4589 4.4589 4.7356 4.7356 5.5984 5.5984 5.6329 5.6329 5.7849 5.7849 5.8833 5.8833 6.4330 6.4330 9.3398 9.3398 9.5327 9.5327 9.6022 9.6022 9.9602 9.9602 10.3762 10.3762 10.7394 10.7394 11.1860 11.1860 11.8851 11.8851 11.8994 11.8994 11.9728 11.9728 k = 0.0250 0.0144-0.0000 ( 5153 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5347 -12.5347 -12.2186 -12.2186 -12.1647 -12.1647 -12.1484 -12.1484 -12.1375 -12.1375 -1.0318 -1.0318 -0.3427 -0.3427 3.4328 3.4328 3.5406 3.5406 4.2862 4.2862 4.3979 4.3979 4.4599 4.4599 4.7331 4.7331 5.5978 5.5978 5.6274 5.6274 5.7854 5.7854 5.8952 5.8952 6.4334 6.4334 9.2714 9.2714 9.5302 9.5302 9.5466 9.5466 10.0768 10.0768 10.2988 10.2988 10.7359 10.7359 11.1562 11.1562 11.8863 11.8863 11.9489 11.9489 12.0368 12.0368 k = 0.0375 0.0217-0.0000 ( 5151 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5348 -12.5348 -12.2186 -12.2186 -12.1648 -12.1648 -12.1486 -12.1486 -12.1376 -12.1376 -1.0253 -1.0253 -0.3389 -0.3389 3.4350 3.4350 3.5411 3.5411 4.2876 4.2876 4.3962 4.3962 4.4615 4.4615 4.7291 4.7291 5.5969 5.5969 5.6192 5.6192 5.7862 5.7862 5.9137 5.9137 6.4342 6.4342 9.1638 9.1638 9.5029 9.5029 9.5310 9.5310 10.1899 10.1899 10.2096 10.2096 10.7145 10.7145 11.1229 11.1229 11.8852 11.8852 12.0230 12.0230 12.1348 12.1348 k = 0.0500 0.0289-0.0000 ( 5141 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5715 -12.5715 -12.5349 -12.5349 -12.2186 -12.2186 -12.1648 -12.1648 -12.1488 -12.1488 -12.1378 -12.1378 -1.0161 -1.0161 -0.3335 -0.3335 3.4382 3.4382 3.5418 3.5418 4.2897 4.2897 4.3940 4.3940 4.4637 4.4637 4.7235 4.7235 5.5956 5.5956 5.6095 5.6095 5.7874 5.7874 5.9377 5.9377 6.4355 6.4355 9.0348 9.0348 9.4721 9.4721 9.5271 9.5271 10.0622 10.0622 10.3442 10.3442 10.6721 10.6721 11.0971 11.0971 11.8825 11.8825 12.1140 12.1140 12.2566 12.2566 k = 0.0625 0.0361-0.0000 ( 5129 PWs) bands (ev): -31.2704 -31.2704 -31.2648 -31.2648 -12.5715 -12.5715 -12.5350 -12.5350 -12.2186 -12.2186 -12.1648 -12.1648 -12.1490 -12.1490 -12.1380 -12.1380 -1.0043 -1.0043 -0.3267 -0.3267 3.4422 3.4422 3.5427 3.5427 4.2923 4.2923 4.3914 4.3914 4.4664 4.4664 4.7167 4.7167 5.5937 5.5937 5.5992 5.5992 5.7889 5.7889 5.9660 5.9660 6.4374 6.4374 8.8962 8.8962 9.4423 9.4423 9.5212 9.5212 9.9244 9.9244 10.4600 10.4600 10.6270 10.6270 11.0826 11.0826 11.8790 11.8790 12.2158 12.2158 12.3943 12.3943 k = 0.0750 0.0433-0.0000 ( 5129 PWs) bands (ev): -31.2704 -31.2704 -31.2648 -31.2648 -12.5715 -12.5715 -12.5352 -12.5352 -12.2186 -12.2186 -12.1649 -12.1649 -12.1493 -12.1493 -12.1382 -12.1382 -0.9900 -0.9900 -0.3184 -0.3184 3.4471 3.4471 3.5437 3.5437 4.2955 4.2955 4.3884 4.3884 4.4696 4.4696 4.7087 4.7087 5.5874 5.5874 5.5928 5.5928 5.7907 5.7907 5.9975 5.9975 6.4401 6.4401 8.7531 8.7531 9.4094 9.4094 9.5099 9.5099 9.7850 9.7850 10.4661 10.4661 10.6725 10.6725 11.0795 11.0795 11.8748 11.8748 12.3240 12.3240 12.5424 12.5424 k = 0.0875 0.0505-0.0000 ( 5125 PWs) bands (ev): -31.2704 -31.2704 -31.2648 -31.2648 -12.5716 -12.5716 -12.5353 -12.5353 -12.2187 -12.2187 -12.1650 -12.1650 -12.1497 -12.1497 -12.1385 -12.1385 -0.9732 -0.9732 -0.3087 -0.3087 3.4528 3.4528 3.5448 3.5448 4.2992 4.2992 4.3852 4.3852 4.4732 4.4732 4.6997 4.6997 5.5772 5.5772 5.5901 5.5901 5.7928 5.7928 6.0314 6.0314 6.4442 6.4442 8.6079 8.6079 9.3687 9.3687 9.4830 9.4830 9.6604 9.6604 10.3854 10.3854 10.7843 10.7843 11.0905 11.0905 11.8705 11.8705 12.4354 12.4354 12.6495 12.6495 k = 0.1000 0.0577-0.0000 ( 5125 PWs) bands (ev): -31.2704 -31.2704 -31.2648 -31.2648 -12.5716 -12.5716 -12.5356 -12.5356 -12.2187 -12.2187 -12.1652 -12.1652 -12.1501 -12.1501 -12.1388 -12.1388 -0.9539 -0.9539 -0.2975 -0.2975 3.4593 3.4593 3.5460 3.5460 4.3034 4.3034 4.3818 4.3818 4.4772 4.4772 4.6900 4.6900 5.5673 5.5673 5.5874 5.5874 5.7953 5.7953 6.0667 6.0667 6.4499 6.4499 8.4618 8.4618 9.3073 9.3073 9.4208 9.4208 9.5847 9.5847 10.2871 10.2871 10.8813 10.8813 11.1289 11.1289 11.8667 11.8667 12.5439 12.5439 12.6170 12.6170 k = 0.1125 0.0650-0.0000 ( 5125 PWs) bands (ev): -31.2703 -31.2703 -31.2648 -31.2648 -12.5716 -12.5716 -12.5358 -12.5358 -12.2187 -12.2187 -12.1653 -12.1653 -12.1505 -12.1505 -12.1392 -12.1392 -0.9323 -0.9323 -0.2850 -0.2850 3.4665 3.4665 3.5474 3.5474 4.3081 4.3081 4.3784 4.3784 4.4817 4.4817 4.6796 4.6796 5.5578 5.5578 5.5843 5.5843 5.7981 5.7981 6.1024 6.1024 6.4582 6.4582 8.3157 8.3157 9.2005 9.2005 9.3516 9.3516 9.5554 9.5554 10.1829 10.1829 10.9355 10.9355 11.2110 11.2110 11.8640 11.8640 12.5599 12.5599 12.6703 12.6703 k = 0.1250 0.0722-0.0000 ( 5123 PWs) bands (ev): -31.2703 -31.2703 -31.2647 -31.2647 -12.5716 -12.5716 -12.5361 -12.5361 -12.2188 -12.2188 -12.1655 -12.1655 -12.1510 -12.1510 -12.1396 -12.1396 -0.9082 -0.9082 -0.2712 -0.2712 3.4745 3.4745 3.5487 3.5487 4.3132 4.3132 4.3750 4.3750 4.4866 4.4866 4.6690 4.6690 5.5489 5.5489 5.5809 5.5809 5.8012 5.8012 6.1372 6.1372 6.4699 6.4699 8.1701 8.1701 9.0583 9.0583 9.2975 9.2975 9.5409 9.5409 10.0764 10.0764 10.9542 10.9542 11.3255 11.3255 11.8636 11.8636 12.5128 12.5128 12.7789 12.7789 k = 0.1375 0.0794-0.0000 ( 5122 PWs) bands (ev): -31.2703 -31.2703 -31.2647 -31.2647 -12.5716 -12.5716 -12.5364 -12.5364 -12.2188 -12.2188 -12.1657 -12.1657 -12.1516 -12.1516 -12.1400 -12.1400 -0.8819 -0.8819 -0.2562 -0.2562 3.4832 3.4832 3.5502 3.5502 4.3187 4.3187 4.3716 4.3716 4.4919 4.4919 4.6581 4.6581 5.5407 5.5407 5.5772 5.5772 5.8045 5.8045 6.1697 6.1697 6.4863 6.4863 8.0253 8.0253 8.9036 8.9036 9.2477 9.2477 9.5296 9.5296 9.9699 9.9699 10.9558 10.9558 11.4506 11.4506 11.8673 11.8673 12.4588 12.4588 12.8610 12.8610 k = 0.1500 0.0866-0.0000 ( 5106 PWs) bands (ev): -31.2702 -31.2702 -31.2647 -31.2647 -12.5716 -12.5716 -12.5366 -12.5366 -12.2188 -12.2188 -12.1659 -12.1659 -12.1521 -12.1521 -12.1404 -12.1404 -0.8534 -0.8534 -0.2400 -0.2400 3.4925 3.4925 3.5517 3.5517 4.3244 4.3244 4.3684 4.3684 4.4977 4.4977 4.6474 4.6474 5.5331 5.5331 5.5731 5.5731 5.8081 5.8081 6.1984 6.1984 6.5086 6.5086 7.8818 7.8818 8.7449 8.7449 9.1976 9.1976 9.5174 9.5174 9.8653 9.8653 10.9489 10.9489 11.5732 11.5732 11.8791 11.8791 12.4007 12.4007 12.8835 12.8835 k = 0.1625 0.0938-0.0000 ( 5104 PWs) bands (ev): -31.2702 -31.2702 -31.2646 -31.2646 -12.5716 -12.5716 -12.5370 -12.5370 -12.2189 -12.2189 -12.1661 -12.1661 -12.1526 -12.1526 -12.1409 -12.1409 -0.8228 -0.8228 -0.2227 -0.2227 3.5023 3.5023 3.5534 3.5534 4.3302 4.3302 4.3653 4.3653 4.5040 4.5040 4.6369 4.6369 5.5261 5.5261 5.5688 5.5688 5.8120 5.8120 6.2222 6.2222 6.5379 6.5379 7.7399 7.7399 8.5850 8.5850 9.1459 9.1459 9.5004 9.5004 9.7661 9.7661 10.9364 10.9364 11.6802 11.6802 11.9077 11.9077 12.3397 12.3397 12.9050 12.9050 k = 0.1750 0.1010-0.0000 ( 5102 PWs) bands (ev): -31.2702 -31.2702 -31.2646 -31.2646 -12.5716 -12.5716 -12.5373 -12.5373 -12.2189 -12.2189 -12.1664 -12.1664 -12.1532 -12.1532 -12.1414 -12.1414 -0.7902 -0.7902 -0.2043 -0.2043 3.5126 3.5126 3.5553 3.5553 4.3360 4.3360 4.3623 4.3623 4.5109 4.5109 4.6268 4.6268 5.5197 5.5197 5.5642 5.5642 5.8160 5.8160 6.2407 6.2407 6.5744 6.5744 7.6000 7.6000 8.4255 8.4255 9.0922 9.0922 9.4720 9.4720 9.6789 9.6789 10.9196 10.9196 11.7548 11.7548 11.9677 11.9677 12.2769 12.2769 12.9278 12.9278 k = 0.1875 0.1083-0.0000 ( 5102 PWs) bands (ev): -31.2701 -31.2701 -31.2646 -31.2646 -12.5716 -12.5716 -12.5377 -12.5377 -12.2190 -12.2190 -12.1667 -12.1667 -12.1538 -12.1538 -12.1419 -12.1419 -0.7557 -0.7557 -0.1850 -0.1850 3.5230 3.5230 3.5576 3.5576 4.3415 4.3415 4.3596 4.3596 4.5183 4.5183 4.6175 4.6175 5.5139 5.5139 5.5593 5.5593 5.8201 5.8201 6.2540 6.2540 6.6178 6.6178 7.4625 7.4625 8.2672 8.2672 9.0366 9.0366 9.4213 9.4213 9.6146 9.6146 10.8992 10.8992 11.7963 11.7963 12.0579 12.0579 12.2134 12.2134 12.9518 12.9518 k = 0.2000 0.1155-0.0000 ( 5098 PWs) bands (ev): -31.2701 -31.2701 -31.2645 -31.2645 -12.5716 -12.5716 -12.5381 -12.5381 -12.2191 -12.2191 -12.1670 -12.1670 -12.1544 -12.1544 -12.1424 -12.1424 -0.7194 -0.7194 -0.1649 -0.1649 3.5332 3.5332 3.5609 3.5609 4.3462 4.3462 4.3574 4.3574 4.5263 4.5263 4.6091 4.6091 5.5086 5.5086 5.5543 5.5543 5.8244 5.8244 6.2630 6.2630 6.6668 6.6668 7.3280 7.3280 8.1106 8.1106 8.9793 8.9793 9.3454 9.3454 9.5760 9.5760 10.8759 10.8759 11.8219 11.8219 12.1395 12.1395 12.1696 12.1696 12.9771 12.9771 k = 0.2125 0.1227-0.0000 ( 5088 PWs) bands (ev): -31.2700 -31.2700 -31.2645 -31.2645 -12.5717 -12.5717 -12.5384 -12.5384 -12.2191 -12.2191 -12.1674 -12.1674 -12.1549 -12.1549 -12.1430 -12.1430 -0.6814 -0.6814 -0.1441 -0.1441 3.5422 3.5422 3.5660 3.5660 4.3488 4.3488 4.3568 4.3568 4.5347 4.5347 4.6018 4.6018 5.5038 5.5038 5.5490 5.5490 5.8287 5.8287 6.2685 6.2685 6.7203 6.7203 7.1971 7.1971 7.9563 7.9563 8.9206 8.9206 9.2548 9.2548 9.5530 9.5530 10.8501 10.8501 11.8428 11.8428 12.0824 12.0824 12.2637 12.2637 13.0035 13.0035 k = 0.2250 0.1299-0.0000 ( 5088 PWs) bands (ev): -31.2700 -31.2700 -31.2644 -31.2644 -12.5717 -12.5717 -12.5388 -12.5388 -12.2192 -12.2192 -12.1678 -12.1678 -12.1555 -12.1555 -12.1435 -12.1435 -0.6420 -0.6420 -0.1226 -0.1226 3.5488 3.5488 3.5742 3.5742 4.3480 4.3480 4.3588 4.3588 4.5434 4.5434 4.5961 4.5961 5.4994 5.4994 5.5436 5.5436 5.8329 5.8329 6.2713 6.2713 6.7760 6.7760 7.0715 7.0715 7.8046 7.8046 8.8606 8.8606 9.1584 9.1584 9.5363 9.5363 10.8224 10.8224 11.8631 11.8631 12.0192 12.0192 12.3581 12.3581 13.0309 13.0309 k = 0.2375 0.1371-0.0000 ( 5096 PWs) bands (ev): -31.2699 -31.2699 -31.2644 -31.2644 -12.5718 -12.5718 -12.5392 -12.5392 -12.2193 -12.2193 -12.1682 -12.1682 -12.1560 -12.1560 -12.1441 -12.1441 -0.6012 -0.6012 -0.1007 -0.1007 3.5532 3.5532 3.5854 3.5854 4.3455 4.3455 4.3614 4.3614 4.5518 4.5518 4.5923 4.5923 5.4955 5.4955 5.5380 5.5380 5.8370 5.8370 6.2720 6.2720 6.8247 6.8247 6.9601 6.9601 7.6560 7.6560 8.7997 8.7997 9.0605 9.0605 9.5219 9.5219 10.7933 10.7933 11.8841 11.8841 11.9573 11.9573 12.4443 12.4443 13.0591 13.0591 k = 0.2500 0.1443-0.0000 ( 5092 PWs) bands (ev): -31.2699 -31.2699 -31.2644 -31.2644 -12.5718 -12.5718 -12.5396 -12.5396 -12.2193 -12.2193 -12.1686 -12.1686 -12.1565 -12.1565 -12.1446 -12.1446 -0.5593 -0.5593 -0.0784 -0.0784 3.5564 3.5564 3.5986 3.5986 4.3425 4.3425 4.3632 4.3632 4.5591 4.5591 4.5917 4.5917 5.4921 5.4921 5.5324 5.5324 5.8408 5.8408 6.2712 6.2712 6.7946 6.7946 6.9345 6.9345 7.5109 7.5109 8.7382 8.7382 8.9631 8.9631 9.5077 9.5077 10.7633 10.7633 11.8914 11.8914 11.9119 11.9119 12.5213 12.5213 13.0879 13.0879 k = 0.2625 0.1516-0.0000 ( 5098 PWs) bands (ev): -31.2698 -31.2698 -31.2643 -31.2643 -12.5718 -12.5718 -12.5401 -12.5401 -12.2194 -12.2194 -12.1691 -12.1691 -12.1570 -12.1570 -12.1452 -12.1452 -0.5163 -0.5163 -0.0559 -0.0559 3.5593 3.5593 3.6132 3.6132 4.3390 4.3390 4.3639 4.3639 4.5637 4.5637 4.5954 4.5954 5.4890 5.4890 5.5268 5.5268 5.8442 5.8442 6.2692 6.2692 6.6912 6.6912 6.9891 6.9891 7.3699 7.3699 8.6764 8.6764 8.8671 8.8671 9.4928 9.4928 10.7328 10.7328 11.8353 11.8353 11.9331 11.9331 12.5896 12.5896 13.1172 13.1172 k = 0.2750 0.1588-0.0000 ( 5096 PWs) bands (ev): -31.2698 -31.2698 -31.2643 -31.2643 -12.5719 -12.5719 -12.5404 -12.5404 -12.2195 -12.2195 -12.1696 -12.1696 -12.1575 -12.1575 -12.1457 -12.1457 -0.4726 -0.4726 -0.0333 -0.0333 3.5620 3.5620 3.6288 3.6288 4.3350 4.3350 4.3634 4.3634 4.5655 4.5655 4.6034 4.6034 5.4863 5.4863 5.5213 5.5213 5.8471 5.8471 6.2662 6.2662 6.5836 6.5836 7.0542 7.0542 7.2340 7.2340 8.6146 8.6146 8.7733 8.7733 9.4766 9.4766 10.7023 10.7023 11.7782 11.7782 11.9588 11.9588 12.6499 12.6499 13.1468 13.1468 k = 0.2875 0.1660-0.0000 ( 5098 PWs) bands (ev): -31.2697 -31.2697 -31.2642 -31.2642 -12.5719 -12.5719 -12.5408 -12.5408 -12.2196 -12.2196 -12.1701 -12.1701 -12.1579 -12.1579 -12.1463 -12.1463 -0.4284 -0.4284 -0.0108 -0.0108 3.5649 3.5649 3.6455 3.6455 4.3305 4.3305 4.3614 4.3614 4.5658 4.5658 4.6140 4.6140 5.4840 5.4840 5.5159 5.5159 5.8491 5.8491 6.2624 6.2624 6.4799 6.4799 7.0890 7.0890 7.1369 7.1369 8.5530 8.5530 8.6821 8.6821 9.4586 9.4586 10.6722 10.6722 11.7229 11.7229 11.9859 11.9859 12.7036 12.7036 13.1765 13.1765 k = 0.3000 0.1732-0.0000 ( 5092 PWs) bands (ev): -31.2697 -31.2697 -31.2642 -31.2642 -12.5720 -12.5720 -12.5412 -12.5412 -12.2197 -12.2197 -12.1706 -12.1706 -12.1582 -12.1582 -12.1469 -12.1469 -0.3838 -0.3838 0.0113 0.0113 3.5679 3.5679 3.6632 3.6632 4.3255 4.3255 4.3581 4.3581 4.5654 4.5654 4.6260 4.6260 5.4819 5.4819 5.5108 5.5108 5.8500 5.8500 6.2579 6.2579 6.3818 6.3818 6.9712 6.9712 7.1999 7.1999 8.4918 8.4918 8.5942 8.5942 9.4386 9.4386 10.6428 10.6428 11.6699 11.6699 12.0141 12.0141 12.7517 12.7517 13.2061 13.2061 k = 0.3125 0.1804-0.0000 ( 5086 PWs) bands (ev): -31.2696 -31.2696 -31.2642 -31.2642 -12.5720 -12.5720 -12.5416 -12.5416 -12.2197 -12.2197 -12.1711 -12.1711 -12.1586 -12.1586 -12.1473 -12.1473 -0.3392 -0.3392 0.0331 0.0331 3.5713 3.5713 3.6819 3.6819 4.3198 4.3198 4.3534 4.3534 4.5647 4.5647 4.6386 4.6386 5.4799 5.4799 5.5060 5.5060 5.8494 5.8494 6.2524 6.2524 6.2905 6.2905 6.8516 6.8516 7.2722 7.2722 8.4308 8.4308 8.5103 8.5103 9.4162 9.4162 10.6143 10.6143 11.6191 11.6191 12.0431 12.0431 12.7953 12.7953 13.2354 13.2354 k = 0.3250 0.1876-0.0000 ( 5092 PWs) bands (ev): -31.2696 -31.2696 -31.2641 -31.2641 -12.5721 -12.5721 -12.5420 -12.5420 -12.2198 -12.2198 -12.1716 -12.1716 -12.1589 -12.1589 -12.1478 -12.1478 -0.2947 -0.2947 0.0541 0.0541 3.5749 3.5749 3.7017 3.7017 4.3134 4.3134 4.3472 4.3472 4.5636 4.5636 4.6514 4.6514 5.4780 5.4780 5.5019 5.5019 5.8466 5.8466 6.2047 6.2047 6.2480 6.2480 6.7386 6.7386 7.3459 7.3459 8.3698 8.3698 8.4314 8.4314 9.3915 9.3915 10.5870 10.5870 11.5708 11.5708 12.0724 12.0724 12.8351 12.8351 13.2642 13.2644 k = 0.3375 0.1949-0.0000 ( 5086 PWs) bands (ev): -31.2695 -31.2695 -31.2641 -31.2641 -12.5721 -12.5721 -12.5423 -12.5423 -12.2199 -12.2199 -12.1721 -12.1721 -12.1592 -12.1592 -12.1483 -12.1483 -0.2508 -0.2508 0.0744 0.0744 3.5788 3.5788 3.7227 3.7227 4.3063 4.3063 4.3394 4.3394 4.5620 4.5620 4.6640 4.6640 5.4760 5.4760 5.4986 5.4986 5.8410 5.8410 6.1281 6.1281 6.2415 6.2415 6.6337 6.6337 7.4202 7.4202 8.3076 8.3076 8.3593 8.3593 9.3641 9.3641 10.5610 10.5610 11.5249 11.5249 12.1019 12.1019 12.8717 12.8717 13.2922 13.2923 k = 0.3500 0.2021-0.0000 ( 5074 PWs) bands (ev): -31.2695 -31.2695 -31.2641 -31.2641 -12.5721 -12.5721 -12.5426 -12.5426 -12.2199 -12.2199 -12.1726 -12.1726 -12.1595 -12.1595 -12.1487 -12.1487 -0.2076 -0.2076 0.0935 0.0935 3.5830 3.5830 3.7449 3.7449 4.2984 4.2984 4.3301 4.3301 4.5600 4.5600 4.6761 4.6761 5.4738 5.4738 5.4963 5.4963 5.8313 5.8313 6.0595 6.0595 6.2344 6.2344 6.5384 6.5384 7.4946 7.4946 8.2435 8.2435 8.2954 8.2954 9.3342 9.3342 10.5367 10.5367 11.4817 11.4817 12.1311 12.1311 12.9056 12.9056 13.3191 13.3194 k = 0.3625 0.2093-0.0000 ( 5074 PWs) bands (ev): -31.2695 -31.2695 -31.2640 -31.2640 -12.5722 -12.5722 -12.5430 -12.5430 -12.2200 -12.2200 -12.1731 -12.1731 -12.1597 -12.1597 -12.1491 -12.1491 -0.1655 -0.1655 0.1115 0.1115 3.5875 3.5875 3.7684 3.7684 4.2897 4.2897 4.3192 4.3192 4.5574 4.5574 4.6875 4.6875 5.4715 5.4715 5.4950 5.4950 5.8163 5.8163 5.9995 5.9995 6.2264 6.2264 6.4545 6.4545 7.5687 7.5687 8.1790 8.1790 8.2390 8.2390 9.3018 9.3018 10.5139 10.5139 11.4410 11.4410 12.1598 12.1598 12.9370 12.9370 13.3447 13.3450 k = 0.3750 0.2165-0.0000 ( 5064 PWs) bands (ev): -31.2694 -31.2694 -31.2640 -31.2640 -12.5722 -12.5722 -12.5433 -12.5433 -12.2200 -12.2200 -12.1736 -12.1736 -12.1599 -12.1599 -12.1495 -12.1495 -0.1248 -0.1248 0.1280 0.1280 3.5921 3.5921 3.7932 3.7932 4.2800 4.2800 4.3067 4.3067 4.5545 4.5545 4.6980 4.6980 5.4692 5.4692 5.4946 5.4946 5.7948 5.7948 5.9486 5.9486 6.2168 6.2168 6.3838 6.3838 7.6419 7.6419 8.1163 8.1163 8.1886 8.1886 9.2670 9.2670 10.4929 10.4929 11.4032 11.4032 12.1877 12.1877 12.9659 12.9659 13.3685 13.3758 k = 0.3875 0.2237-0.0000 ( 5072 PWs) bands (ev): -31.2694 -31.2694 -31.2640 -31.2640 -12.5722 -12.5722 -12.5436 -12.5436 -12.2200 -12.2200 -12.1741 -12.1741 -12.1601 -12.1601 -12.1499 -12.1499 -0.0859 -0.0859 0.1429 0.1429 3.5969 3.5969 3.8191 3.8191 4.2691 4.2691 4.2930 4.2930 4.5513 4.5513 4.7072 4.7072 5.4671 5.4671 5.4950 5.4950 5.7665 5.7665 5.9063 5.9063 6.2046 6.2046 6.3283 6.3283 7.7133 7.7133 8.0574 8.0574 8.1432 8.1432 9.2302 9.2302 10.4738 10.4738 11.3682 11.3682 12.2143 12.2143 12.9926 12.9926 13.3955 13.4117 k = 0.4000 0.2309-0.0000 ( 5074 PWs) bands (ev): -31.2694 -31.2694 -31.2639 -31.2639 -12.5723 -12.5723 -12.5439 -12.5439 -12.2201 -12.2201 -12.1745 -12.1745 -12.1603 -12.1603 -12.1502 -12.1502 -0.0490 -0.0490 0.1559 0.1559 3.6018 3.6018 3.8463 3.8463 4.2568 4.2568 4.2784 4.2784 4.5481 4.5481 4.7150 4.7150 5.4655 5.4655 5.4958 5.4958 5.7326 5.7326 5.8713 5.8713 6.1892 6.1892 6.2890 6.2890 7.7817 7.7817 8.0037 8.0037 8.1028 8.1028 9.1917 9.1917 10.4566 10.4566 11.3363 11.3363 12.2394 12.2394 13.0168 13.0168 13.4073 13.4145 k = 0.4125 0.2382-0.0000 ( 5080 PWs) bands (ev): -31.2694 -31.2694 -31.2639 -31.2639 -12.5723 -12.5723 -12.5441 -12.5441 -12.2201 -12.2201 -12.1749 -12.1749 -12.1605 -12.1605 -12.1505 -12.1505 -0.0145 -0.0145 0.1669 0.1669 3.6066 3.6066 3.8745 3.8745 4.2425 4.2425 4.2638 4.2638 4.5450 4.5450 4.7214 4.7214 5.4645 5.4645 5.4971 5.4971 5.6959 5.6959 5.8418 5.8418 6.1717 6.1717 6.2639 6.2639 7.8435 7.8435 7.9577 7.9577 8.0682 8.0682 9.1522 9.1522 10.4413 10.4413 11.3076 11.3076 12.2625 12.2625 13.0386 13.0386 13.4202 13.4222 k = 0.4250 0.2454-0.0000 ( 5080 PWs) bands (ev): -31.2693 -31.2693 -31.2639 -31.2639 -12.5723 -12.5723 -12.5443 -12.5443 -12.2202 -12.2202 -12.1752 -12.1752 -12.1606 -12.1606 -12.1507 -12.1507 0.0173 0.0173 0.1757 0.1757 3.6113 3.6113 3.9035 3.9035 4.2259 4.2259 4.2499 4.2499 4.5422 4.5422 4.7264 4.7264 5.4640 5.4640 5.4985 5.4985 5.6588 5.6588 5.8167 5.8167 6.1552 6.1552 6.2484 6.2484 7.8790 7.8790 7.9358 7.9358 8.0426 8.0426 9.1124 9.1124 10.4280 10.4280 11.2823 11.2823 12.2834 12.2834 13.0578 13.0578 13.4272 13.4289 k = 0.4375 0.2526-0.0000 ( 5080 PWs) bands (ev): -31.2693 -31.2693 -31.2639 -31.2639 -12.5723 -12.5723 -12.5445 -12.5445 -12.2202 -12.2202 -12.1755 -12.1755 -12.1607 -12.1607 -12.1510 -12.1510 0.0459 0.0459 0.1823 0.1823 3.6156 3.6156 3.9330 3.9330 4.2073 4.2073 4.2370 4.2370 4.5399 4.5399 4.7299 4.7299 5.4640 5.4640 5.5000 5.5000 5.6238 5.6238 5.7957 5.7957 6.1418 6.1418 6.2383 6.2383 7.8593 7.8593 7.9544 7.9544 8.0378 8.0378 9.0735 9.0735 10.4167 10.4167 11.2605 11.2605 12.3018 12.3018 13.0744 13.0744 13.4337 13.4363 k = 0.4500 0.2598-0.0000 ( 5076 PWs) bands (ev): -31.2693 -31.2693 -31.2639 -31.2639 -12.5724 -12.5724 -12.5446 -12.5446 -12.2202 -12.2202 -12.1757 -12.1757 -12.1608 -12.1608 -12.1511 -12.1511 0.0711 0.0711 0.1865 0.1865 3.6195 3.6195 3.9626 3.9626 4.1872 4.1872 4.2254 4.2254 4.5380 4.5380 4.7322 4.7322 5.4644 5.4644 5.5014 5.5014 5.5926 5.5926 5.7788 5.7788 6.1318 6.1318 6.2315 6.2315 7.8309 7.8309 7.9540 7.9540 8.0656 8.0656 9.0369 9.0369 10.4074 10.4074 11.2424 11.2424 12.3173 12.3173 13.0881 13.0881 13.4391 13.4696 k = 0.4625 0.2670-0.0000 ( 5072 PWs) bands (ev): -31.2693 -31.2693 -31.2639 -31.2639 -12.5724 -12.5724 -12.5447 -12.5447 -12.2203 -12.2203 -12.1759 -12.1759 -12.1608 -12.1608 -12.1513 -12.1513 0.0923 0.0923 0.1886 0.1886 3.6228 3.6228 3.9918 3.9918 4.1659 4.1659 4.2155 4.2155 4.5366 4.5366 4.7335 4.7335 5.4651 5.4651 5.5026 5.5026 5.5668 5.5668 5.7658 5.7658 6.1249 6.1249 6.2267 6.2267 7.8071 7.8071 7.9426 7.9426 8.1034 8.1034 9.0047 9.0047 10.4002 10.4002 11.2282 11.2282 12.3297 12.3297 13.0989 13.0989 13.4425 13.4456 k = 0.4750 0.2742-0.0000 ( 5082 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2203 -12.2203 -12.1761 -12.1761 -12.1609 -12.1609 -12.1514 -12.1514 0.1089 0.1089 0.1889 0.1889 3.6252 3.6252 4.0197 4.0197 4.1441 4.1441 4.2078 4.2078 4.5356 4.5356 4.7341 4.7341 5.4659 5.4659 5.5036 5.5036 5.5475 5.5475 5.7567 5.7567 6.1205 6.1205 6.2234 6.2234 7.7896 7.7896 7.9320 7.9320 8.1358 8.1358 8.9791 8.9791 10.3950 10.3950 11.2180 11.2180 12.3387 12.3387 13.1067 13.1067 13.4452 13.4458 k = 0.4875 0.2815-0.0000 ( 5074 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2203 -12.2203 -12.1762 -12.1762 -12.1609 -12.1609 -12.1514 -12.1514 0.1197 0.1197 0.1883 0.1883 3.6268 3.6268 4.0438 4.0438 4.1239 4.1239 4.2030 4.2030 4.5350 4.5350 4.7343 4.7343 5.4666 5.4666 5.5041 5.5041 5.5355 5.5355 5.7513 5.7513 6.1181 6.1181 6.2216 6.2216 7.7789 7.7789 7.9251 7.9251 8.1570 8.1570 8.9625 8.9625 10.3919 10.3919 11.2118 11.2118 12.3441 12.3441 13.1114 13.1114 13.4469 13.4476 k = 0.5000 0.2887-0.0000 ( 5074 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2203 -12.2203 -12.1762 -12.1762 -12.1609 -12.1609 -12.1514 -12.1514 0.1236 0.1236 0.1878 0.1878 3.6273 3.6273 4.0555 4.0555 4.1135 4.1135 4.2013 4.2013 4.5348 4.5348 4.7344 4.7344 5.4669 5.4669 5.5043 5.5043 5.5315 5.5315 5.7495 5.7495 6.1173 6.1173 6.2210 6.2210 7.7754 7.7754 7.9227 7.9227 8.1644 8.1644 8.9567 8.9567 10.3909 10.3909 11.2097 11.2097 12.3460 12.3460 13.1129 13.1129 13.4475 13.4495 k = 0.5000 0.2887-0.0000 ( 5074 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2203 -12.2203 -12.1762 -12.1762 -12.1609 -12.1609 -12.1514 -12.1514 0.1236 0.1236 0.1878 0.1878 3.6273 3.6273 4.0555 4.0555 4.1135 4.1135 4.2013 4.2013 4.5348 4.5348 4.7344 4.7344 5.4669 5.4669 5.5043 5.5043 5.5315 5.5315 5.7495 5.7495 6.1173 6.1173 6.2210 6.2210 7.7754 7.7754 7.9227 7.9227 8.1644 8.1644 8.9567 8.9567 10.3909 10.3909 11.2097 11.2097 12.3460 12.3460 13.1129 13.1129 13.4478 13.4547 k = 0.4928 0.3012-0.0000 ( 5074 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2203 -12.2203 -12.1762 -12.1762 -12.1610 -12.1610 -12.1515 -12.1515 0.1241 0.1241 0.1883 0.1883 3.6277 3.6277 4.0542 4.0542 4.1120 4.1120 4.2048 4.2048 4.5344 4.5344 4.7353 4.7353 5.4655 5.4655 5.5050 5.5050 5.5315 5.5315 5.7504 5.7504 6.1172 6.1172 6.2210 6.2210 7.7698 7.7698 7.9133 7.9133 8.1646 8.1646 8.9565 8.9565 10.4036 10.4036 11.2120 11.2120 12.3486 12.3486 13.1127 13.1127 13.4472 13.4505 k = 0.4855 0.3138-0.0000 ( 5066 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2203 -12.2203 -12.1761 -12.1761 -12.1610 -12.1610 -12.1515 -12.1515 0.1258 0.1258 0.1898 0.1898 3.6291 3.6291 4.0502 4.0502 4.1085 4.1085 4.2145 4.2145 4.5333 4.5333 4.7381 4.7381 5.4618 5.4618 5.5067 5.5067 5.5316 5.5316 5.7529 5.7529 6.1168 6.1168 6.2210 6.2210 7.7524 7.7524 7.8860 7.8860 8.1657 8.1657 8.9558 8.9558 10.4409 10.4409 11.2190 11.2190 12.3565 12.3565 13.1120 13.1120 13.4463 13.4528 k = 0.4783 0.3263-0.0000 ( 5066 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2203 -12.2203 -12.1760 -12.1760 -12.1611 -12.1611 -12.1516 -12.1516 0.1285 0.1285 0.1922 0.1922 3.6314 3.6314 4.0433 4.0433 4.1050 4.1050 4.2284 4.2284 4.5314 4.5314 4.7426 4.7426 5.4565 5.4565 5.5082 5.5082 5.5323 5.5323 5.7569 5.7569 6.1163 6.1163 6.2210 6.2210 7.7214 7.7214 7.8444 7.8444 8.1685 8.1685 8.9547 8.9547 10.5004 10.5004 11.2306 11.2306 12.3693 12.3693 13.1107 13.1107 13.4380 13.4410 k = 0.4710 0.3389-0.0000 ( 5070 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2202 -12.2202 -12.1760 -12.1760 -12.1613 -12.1613 -12.1516 -12.1516 0.1322 0.1322 0.1956 0.1956 3.6346 3.6346 4.0337 4.0337 4.1027 4.1027 4.2453 4.2453 4.5291 4.5291 4.7486 4.7486 5.4502 5.4502 5.5086 5.5086 5.5341 5.5341 5.7625 5.7625 6.1155 6.1155 6.2210 6.2210 7.6731 7.6731 7.7950 7.7950 8.1736 8.1736 8.9530 8.9530 10.5789 10.5789 11.2468 11.2468 12.3864 12.3864 13.1086 13.1086 13.4109 13.4112 k = 0.4638 0.3514-0.0000 ( 5078 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5450 -12.5450 -12.2202 -12.2202 -12.1759 -12.1759 -12.1616 -12.1616 -12.1518 -12.1518 0.1370 0.1370 0.1998 0.1998 3.6387 3.6387 4.0221 4.0221 4.1016 4.1016 4.2643 4.2643 4.5264 4.5264 4.7558 4.7558 5.4433 5.4433 5.5074 5.5074 5.5373 5.5373 5.7695 5.7695 6.1147 6.1147 6.2209 6.2209 7.6048 7.6048 7.7446 7.7446 8.1811 8.1811 8.9507 8.9507 10.6725 10.6725 11.2676 11.2676 12.4072 12.4072 13.1054 13.1054 13.3690 13.3690 k = 0.4565 0.3640-0.0000 ( 5088 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5450 -12.5450 -12.2202 -12.2202 -12.1757 -12.1757 -12.1618 -12.1618 -12.1519 -12.1519 0.1427 0.1427 0.2049 0.2049 3.6438 3.6438 4.0092 4.0092 4.1015 4.1015 4.2849 4.2849 4.5236 4.5236 4.7639 4.7639 5.4361 5.4361 5.5047 5.5047 5.5417 5.5417 5.7778 5.7778 6.1137 6.1137 6.2209 6.2209 7.5188 7.5188 7.6947 7.6947 8.1909 8.1909 8.9477 8.9477 10.7776 10.7776 11.2932 11.2932 12.4307 12.4307 13.1007 13.1007 13.3173 13.3173 k = 0.4493 0.3765-0.0000 ( 5076 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5450 -12.5450 -12.2202 -12.2202 -12.1755 -12.1755 -12.1621 -12.1621 -12.1520 -12.1520 0.1493 0.1493 0.2106 0.2106 3.6498 3.6498 3.9956 3.9956 4.1018 4.1018 4.3068 4.3068 4.5207 4.5207 4.7726 4.7726 5.4288 5.4288 5.5007 5.5007 5.5471 5.5471 5.7872 5.7872 6.1128 6.1128 6.2208 6.2208 7.4204 7.4204 7.6440 7.6440 8.2027 8.2027 8.9440 8.9440 10.8909 10.8909 11.3236 11.3236 12.4561 12.4561 13.0943 13.0943 13.2586 13.2586 k = 0.4420 0.3891-0.0000 ( 5074 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5451 -12.5451 -12.2202 -12.2202 -12.1753 -12.1753 -12.1625 -12.1625 -12.1522 -12.1522 0.1567 0.1567 0.2171 0.2171 3.6568 3.6568 3.9818 3.9818 4.1022 4.1022 4.3298 4.3298 4.5180 4.5180 4.7817 4.7817 5.4215 5.4215 5.4956 5.4956 5.5534 5.5534 5.7975 5.7975 6.1119 6.1119 6.2207 6.2207 7.3144 7.3144 7.5913 7.5913 8.2164 8.2164 8.9394 8.9394 11.0089 11.0089 11.3592 11.3592 12.4822 12.4822 13.0854 13.0854 13.1945 13.1945 k = 0.4348 0.4016-0.0000 ( 5078 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5451 -12.5451 -12.2202 -12.2202 -12.1751 -12.1751 -12.1629 -12.1629 -12.1523 -12.1523 0.1649 0.1649 0.2240 0.2240 3.6648 3.6648 3.9682 3.9682 4.1024 4.1024 4.3538 4.3538 4.5155 4.5155 4.7910 4.7910 5.4144 5.4144 5.4896 5.4896 5.5605 5.5605 5.8087 5.8087 6.1111 6.1111 6.2206 6.2206 7.2040 7.2040 7.5360 7.5360 8.2321 8.2321 8.9337 8.9337 11.1283 11.1283 11.4009 11.4009 12.5080 12.5080 13.0729 13.0729 13.1276 13.1276 k = 0.4275 0.4142-0.0000 ( 5070 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5452 -12.5452 -12.2201 -12.2201 -12.1748 -12.1748 -12.1633 -12.1633 -12.1525 -12.1525 0.1737 0.1737 0.2314 0.2314 3.6737 3.6737 3.9549 3.9549 4.1022 4.1022 4.3784 4.3784 4.5135 4.5135 4.8003 4.8003 5.4076 5.4076 5.4829 5.4829 5.5684 5.5684 5.8205 5.8205 6.1105 6.1105 6.2205 6.2205 7.0920 7.0920 7.4785 7.4785 8.2495 8.2495 8.9270 8.9270 11.2449 11.2449 11.4506 11.4506 12.5326 12.5326 13.0448 13.0448 13.0709 13.0709 k = 0.4203 0.4267-0.0000 ( 5070 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5452 -12.5452 -12.2201 -12.2201 -12.1746 -12.1746 -12.1638 -12.1638 -12.1527 -12.1527 0.1831 0.1831 0.2390 0.2390 3.6835 3.6835 3.9421 3.9421 4.1012 4.1012 4.4032 4.4032 4.5122 4.5122 4.8094 4.8094 5.4011 5.4011 5.4754 5.4754 5.5772 5.5772 5.8327 5.8327 6.1100 6.1100 6.2204 6.2204 6.9805 6.9805 7.4191 7.4191 8.2686 8.2686 8.9190 8.9190 11.3521 11.3521 11.5130 11.5130 12.5549 12.5549 12.9787 12.9787 13.0474 13.0474 k = 0.4130 0.4393-0.0000 ( 5072 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5453 -12.5453 -12.2201 -12.2201 -12.1743 -12.1743 -12.1643 -12.1643 -12.1528 -12.1528 0.1928 0.1928 0.2468 0.2468 3.6942 3.6942 3.9301 3.9301 4.0995 4.0995 4.4275 4.4275 4.5119 4.5119 4.8184 4.8184 5.3949 5.3949 5.4673 5.4673 5.5868 5.5868 5.8452 5.8452 6.1094 6.1094 6.2205 6.2205 6.8713 6.8713 7.3584 7.3584 8.2895 8.2895 8.9097 8.9097 11.4422 11.4422 11.5940 11.5940 12.5743 12.5743 12.9062 12.9062 13.0261 13.0261 k = 0.4058 0.4518-0.0000 ( 5072 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5454 -12.5454 -12.2200 -12.2200 -12.1740 -12.1740 -12.1648 -12.1648 -12.1530 -12.1530 0.2029 0.2029 0.2545 0.2545 3.7056 3.7056 3.9191 3.9191 4.0967 4.0967 4.4502 4.4502 4.5135 4.5135 4.8272 4.8272 5.3891 5.3891 5.4586 5.4586 5.5973 5.5973 5.8575 5.8575 6.1085 6.1085 6.2209 6.2209 6.7663 6.7663 7.2970 7.2970 8.3121 8.3121 8.8987 8.8987 11.5152 11.5152 11.6919 11.6919 12.5903 12.5903 12.8330 12.8330 13.0020 13.0020 k = 0.3986 0.4644-0.0000 ( 5084 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5726 -12.5726 -12.5454 -12.5454 -12.2200 -12.2200 -12.1737 -12.1737 -12.1653 -12.1653 -12.1532 -12.1532 0.2131 0.2131 0.2621 0.2621 3.7176 3.7176 3.9092 3.9092 4.0928 4.0928 4.4690 4.4690 4.5190 4.5190 4.8359 4.8359 5.3837 5.3837 5.4495 5.4495 5.6087 5.6087 5.8693 5.8693 6.1065 6.1065 6.2219 6.2219 6.6675 6.6675 7.2357 7.2357 8.3364 8.3364 8.8861 8.8861 11.5794 11.5794 11.7974 11.7974 12.6023 12.6023 12.7602 12.7602 12.9747 12.9747 k = 0.3913 0.4769-0.0000 ( 5082 PWs) bands (ev): -31.2691 -31.2691 -31.2638 -31.2638 -12.5726 -12.5726 -12.5455 -12.5455 -12.2200 -12.2200 -12.1733 -12.1733 -12.1658 -12.1658 -12.1534 -12.1534 0.2234 0.2234 0.2692 0.2692 3.7300 3.7300 3.9007 3.9007 4.0878 4.0878 4.4810 4.4810 4.5304 4.5304 4.8444 4.8444 5.3787 5.3787 5.4400 5.4400 5.6210 5.6210 5.8803 5.8803 6.1023 6.1023 6.2239 6.2239 6.5770 6.5770 7.1753 7.1753 8.3622 8.3622 8.8715 8.8715 11.6405 11.6405 11.9032 11.9032 12.6098 12.6098 12.6889 12.6889 12.9442 12.9442 k = 0.3841 0.4895-0.0000 ( 5082 PWs) bands (ev): -31.2691 -31.2691 -31.2638 -31.2638 -12.5726 -12.5726 -12.5456 -12.5456 -12.2200 -12.2200 -12.1730 -12.1730 -12.1664 -12.1664 -12.1536 -12.1536 0.2335 0.2335 0.2758 0.2758 3.7423 3.7423 3.8939 3.8939 4.0816 4.0816 4.4870 4.4870 4.5467 4.5467 4.8529 4.8529 5.3740 5.3740 5.4304 5.4304 5.6342 5.6342 5.8898 5.8898 6.0945 6.0945 6.2275 6.2275 6.4973 6.4973 7.1168 7.1168 8.3896 8.3896 8.8550 8.8550 11.7011 11.7011 12.0056 12.0056 12.6036 12.6036 12.6291 12.6291 12.9107 12.9107 k = 0.3768 0.5020-0.0000 ( 5074 PWs) bands (ev): -31.2691 -31.2691 -31.2638 -31.2638 -12.5726 -12.5726 -12.5456 -12.5456 -12.2200 -12.2200 -12.1725 -12.1725 -12.1669 -12.1669 -12.1537 -12.1537 0.2433 0.2433 0.2816 0.2816 3.7543 3.7543 3.8891 3.8891 4.0743 4.0743 4.4898 4.4898 4.5643 4.5643 4.8612 4.8612 5.3696 5.3696 5.4209 5.4209 5.6483 5.6483 5.8973 5.8973 6.0812 6.0812 6.2328 6.2328 6.4312 6.4312 7.0610 7.0610 8.4183 8.4183 8.8364 8.8364 11.7620 11.7620 12.1022 12.1022 12.5450 12.5450 12.6207 12.6207 12.8746 12.8746 k = 0.3696 0.5146-0.0000 ( 5078 PWs) bands (ev): -31.2691 -31.2691 -31.2638 -31.2638 -12.5726 -12.5726 -12.5457 -12.5457 -12.2200 -12.2200 -12.1722 -12.1722 -12.1675 -12.1675 -12.1538 -12.1538 0.2527 0.2527 0.2864 0.2864 3.7652 3.7652 3.8868 3.8868 4.0659 4.0659 4.4915 4.4915 4.5808 4.5808 4.8693 4.8693 5.3654 5.3654 5.4119 5.4119 5.6633 5.6633 5.9017 5.9017 6.0621 6.0621 6.2398 6.2398 6.3806 6.3806 7.0093 7.0093 8.4482 8.4482 8.8158 8.8158 11.8232 11.8232 12.1902 12.1902 12.4816 12.4816 12.6182 12.6182 12.8361 12.8361 k = 0.3623 0.5271-0.0000 ( 5076 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5457 -12.5457 -12.2199 -12.2199 -12.1718 -12.1718 -12.1680 -12.1680 -12.1539 -12.1539 0.2616 0.2616 0.2901 0.2901 3.7743 3.7743 3.8873 3.8873 4.0568 4.0568 4.4926 4.4926 4.5950 4.5950 4.8766 4.8766 5.3615 5.3615 5.4038 5.4038 5.6789 5.6789 5.9019 5.9019 6.0394 6.0394 6.2474 6.2474 6.3460 6.3460 6.9630 6.9630 8.4788 8.4788 8.7931 8.7931 11.8846 11.8846 12.2614 12.2614 12.4295 12.4295 12.6140 12.6140 12.7958 12.7958 k = 0.3551 0.5397-0.0000 ( 5080 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5457 -12.5457 -12.2199 -12.2199 -12.1713 -12.1713 -12.1686 -12.1686 -12.1541 -12.1541 0.2696 0.2696 0.2923 0.2923 3.7811 3.7811 3.8906 3.8906 4.0473 4.0473 4.4936 4.4936 4.6061 4.6061 4.8829 4.8829 5.3578 5.3578 5.3970 5.3970 5.6948 5.6948 5.8966 5.8966 6.0180 6.0180 6.2539 6.2539 6.3257 6.3257 6.9239 6.9239 8.5093 8.5093 8.7691 8.7691 11.9456 11.9456 12.2833 12.2833 12.4212 12.4212 12.6084 12.6084 12.7542 12.7542 k = 0.3478 0.5522-0.0000 ( 5080 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5458 -12.5458 -12.2199 -12.2199 -12.1709 -12.1709 -12.1691 -12.1691 -12.1541 -12.1541 0.2768 0.2768 0.2929 0.2929 3.7855 3.7855 3.8956 3.8956 4.0384 4.0384 4.4944 4.4944 4.6141 4.6141 4.8877 4.8877 5.3545 5.3545 5.3921 5.3921 5.7095 5.7095 5.8862 5.8862 6.0026 6.0026 6.2577 6.2577 6.3165 6.3165 6.8939 6.8939 8.5383 8.5383 8.7450 8.7450 12.0055 12.0055 12.2460 12.2460 12.4652 12.4652 12.6031 12.6031 12.7122 12.7122 k = 0.3406 0.5648-0.0000 ( 5072 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5458 -12.5458 -12.2199 -12.2199 -12.1705 -12.1705 -12.1696 -12.1696 -12.1541 -12.1541 0.2828 0.2828 0.2919 0.2919 3.7878 3.7878 3.9006 3.9006 4.0316 4.0316 4.4949 4.4949 4.6187 4.6187 4.8906 4.8906 5.3522 5.3522 5.3891 5.3891 5.7208 5.7208 5.8754 5.8754 5.9945 5.9945 6.2587 6.2587 6.3141 6.3141 6.8748 6.8748 8.5620 8.5620 8.7245 8.7245 12.0618 12.0618 12.1947 12.1947 12.5112 12.5112 12.6041 12.6041 12.6715 12.6715 k = 0.3333 0.5774-0.0000 ( 5076 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5458 -12.5458 -12.2199 -12.2199 -12.1701 -12.1701 -12.1699 -12.1699 -12.1541 -12.1541 0.2863 0.2863 0.2901 0.2901 3.7885 3.7885 3.9029 3.9029 4.0288 4.0288 4.4952 4.4952 4.6202 4.6202 4.8915 4.8915 5.3514 5.3514 5.3881 5.3881 5.7251 5.7251 5.8707 5.8707 5.9922 5.9922 6.2588 6.2588 6.3139 6.3139 6.8682 6.8682 8.5722 8.5722 8.7154 8.7154 12.0964 12.0964 12.1610 12.1610 12.5289 12.5289 12.6179 12.6179 12.6428 12.6428 k = 0.3333 0.5774-0.0000 ( 5076 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5458 -12.5458 -12.2199 -12.2199 -12.1701 -12.1701 -12.1699 -12.1699 -12.1541 -12.1541 0.2863 0.2863 0.2901 0.2901 3.7885 3.7885 3.9029 3.9029 4.0288 4.0288 4.4952 4.4952 4.6202 4.6202 4.8915 4.8915 5.3514 5.3514 5.3881 5.3881 5.7251 5.7251 5.8707 5.8707 5.9922 5.9922 6.2588 6.2588 6.3139 6.3139 6.8682 6.8682 8.5722 8.5722 8.7154 8.7154 12.0964 12.0964 12.1610 12.1610 12.5289 12.5289 12.6179 12.6179 12.6428 12.6428 k = 0.3261 0.5648-0.0000 ( 5076 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5458 -12.5458 -12.2199 -12.2199 -12.1705 -12.1705 -12.1696 -12.1696 -12.1541 -12.1541 0.2823 0.2823 0.2922 0.2922 3.7879 3.7879 3.9000 3.9000 4.0320 4.0320 4.4949 4.4949 4.6189 4.6189 4.8907 4.8907 5.3523 5.3523 5.3892 5.3892 5.7210 5.7210 5.8753 5.8753 5.9944 5.9944 6.2588 6.2588 6.3140 6.3140 6.8748 6.8748 8.5609 8.5609 8.7255 8.7255 12.0632 12.0632 12.1934 12.1934 12.5169 12.5169 12.5957 12.5957 12.6741 12.6741 k = 0.3188 0.5522-0.0000 ( 5080 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5458 -12.5458 -12.2199 -12.2199 -12.1709 -12.1709 -12.1692 -12.1692 -12.1541 -12.1541 0.2746 0.2746 0.2943 0.2943 3.7864 3.7864 3.8913 3.8913 4.0415 4.0415 4.4937 4.4937 4.6152 4.6152 4.8884 4.8884 5.3548 5.3548 5.3927 5.3927 5.7109 5.7109 5.8859 5.8859 6.0016 6.0016 6.2585 6.2585 6.3154 6.3154 6.8943 6.8943 8.5316 8.5316 8.7514 8.7514 12.0120 12.0120 12.2420 12.2420 12.4896 12.4896 12.5725 12.5725 12.7163 12.7163 k = 0.3116 0.5397-0.0000 ( 5076 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5457 -12.5457 -12.2199 -12.2199 -12.1712 -12.1712 -12.1687 -12.1687 -12.1540 -12.1540 0.2643 0.2643 0.2950 0.2950 3.7840 3.7840 3.8778 3.8778 4.0560 4.0560 4.4915 4.4915 4.6101 4.6101 4.8852 4.8852 5.3583 5.3583 5.3994 5.3994 5.6985 5.6985 5.8966 5.8966 6.0145 6.0145 6.2566 6.2566 6.3219 6.3219 6.9254 6.9254 8.4917 8.4917 8.7854 8.7854 11.9604 11.9604 12.2867 12.2867 12.4570 12.4570 12.5558 12.5558 12.7546 12.7546 k = 0.3043 0.5271-0.0000 ( 5078 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5457 -12.5457 -12.2199 -12.2199 -12.1716 -12.1716 -12.1682 -12.1682 -12.1539 -12.1539 0.2513 0.2513 0.2941 0.2941 3.7806 3.7806 3.8613 3.8613 4.0738 4.0738 4.4878 4.4878 4.6043 4.6043 4.8812 4.8812 5.3620 5.3620 5.4099 5.4099 5.6862 5.6862 5.9036 5.9036 6.0327 6.0327 6.2525 6.2525 6.3373 6.3373 6.9665 6.9665 8.4453 8.4453 8.8234 8.8234 11.9107 11.9107 12.3173 12.3173 12.4314 12.4314 12.5440 12.5440 12.7863 12.7863 k = 0.2971 0.5146-0.0000 ( 5071 PWs) bands (ev): -31.2691 -31.2691 -31.2638 -31.2638 -12.5726 -12.5726 -12.5456 -12.5456 -12.2199 -12.2199 -12.1718 -12.1718 -12.1677 -12.1677 -12.1538 -12.1538 0.2355 0.2355 0.2915 0.2915 3.7758 3.7758 3.8433 3.8433 4.0936 4.0936 4.4824 4.4824 4.5987 4.5987 4.8766 4.8766 5.3653 5.3653 5.4248 5.4248 5.6753 5.6753 5.9065 5.9065 6.0537 6.0537 6.2472 6.2472 6.3637 6.3637 7.0161 7.0161 8.3942 8.3942 8.8636 8.8636 11.8635 11.8635 12.3153 12.3153 12.4305 12.4305 12.5384 12.5384 12.8104 12.8104 k = 0.2899 0.5020-0.0000 ( 5073 PWs) bands (ev): -31.2691 -31.2691 -31.2638 -31.2638 -12.5725 -12.5725 -12.5455 -12.5455 -12.2199 -12.2199 -12.1721 -12.1721 -12.1672 -12.1672 -12.1536 -12.1536 0.2170 0.2170 0.2873 0.2873 3.7689 3.7689 3.8256 3.8256 4.1145 4.1145 4.4755 4.4755 4.5941 4.5941 4.8714 4.8714 5.3679 5.3679 5.4436 5.4436 5.6666 5.6666 5.9067 5.9067 6.0742 6.0742 6.2422 6.2422 6.4021 6.4021 7.0726 7.0726 8.3392 8.3392 8.9050 8.9050 11.8192 11.8192 12.2854 12.2854 12.4450 12.4450 12.5446 12.5446 12.8257 12.8257 k = 0.2826 0.4895-0.0000 ( 5069 PWs) bands (ev): -31.2691 -31.2691 -31.2638 -31.2638 -12.5725 -12.5725 -12.5454 -12.5454 -12.2199 -12.2199 -12.1722 -12.1722 -12.1668 -12.1668 -12.1534 -12.1534 0.1956 0.1956 0.2812 0.2812 3.7590 3.7590 3.8094 3.8094 4.1358 4.1358 4.4672 4.4672 4.5906 4.5906 4.8654 4.8654 5.3699 5.3699 5.4657 5.4657 5.6609 5.6609 5.9060 5.9060 6.0927 6.0927 6.2387 6.2387 6.4522 6.4522 7.1352 7.1352 8.2809 8.2809 8.9471 8.9471 11.7781 11.7781 12.2459 12.2459 12.4517 12.4517 12.5677 12.5677 12.8319 12.8319 k = 0.2754 0.4769-0.0000 ( 5069 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5453 -12.5453 -12.2199 -12.2199 -12.1724 -12.1724 -12.1663 -12.1663 -12.1531 -12.1531 0.1715 0.1715 0.2735 0.2735 3.7456 3.7456 3.7960 3.7960 4.1571 4.1571 4.4580 4.4580 4.5883 4.5883 4.8584 4.8584 5.3714 5.3714 5.4896 5.4896 5.6592 5.6592 5.9062 5.9062 6.1093 6.1093 6.2370 6.2370 6.5128 6.5128 7.2027 7.2027 8.2197 8.2197 8.9895 8.9895 11.7404 11.7404 12.2038 12.2038 12.4486 12.4486 12.6030 12.6030 12.8288 12.8288 k = 0.2681 0.4644-0.0000 ( 5069 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5725 -12.5725 -12.5451 -12.5451 -12.2199 -12.2199 -12.1725 -12.1725 -12.1658 -12.1658 -12.1529 -12.1529 0.1447 0.1447 0.2640 0.2640 3.7293 3.7293 3.7851 3.7851 4.1779 4.1779 4.4485 4.4485 4.5869 4.5869 4.8504 4.8504 5.3723 5.3723 5.5132 5.5132 5.6628 5.6628 5.9087 5.9087 6.1252 6.1252 6.2375 6.2375 6.5825 6.5825 7.2746 7.2746 8.1560 8.1560 9.0317 9.0317 11.7065 11.7065 12.1611 12.1611 12.4409 12.4409 12.6430 12.6430 12.8173 12.8173 k = 0.2609 0.4518-0.0000 ( 5073 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2199 -12.2199 -12.1725 -12.1725 -12.1653 -12.1653 -12.1526 -12.1526 0.1152 0.1152 0.2528 0.2528 3.7116 3.7116 3.7755 3.7755 4.1979 4.1979 4.4392 4.4392 4.5861 4.5861 4.8412 4.8412 5.3730 5.3730 5.5336 5.5336 5.6732 5.6732 5.9150 5.9150 6.1415 6.1415 6.2404 6.2404 6.6596 6.6596 7.3502 7.3502 8.0903 8.0903 9.0735 9.0735 11.6765 11.6765 12.1184 12.1184 12.4315 12.4315 12.6810 12.6810 12.8013 12.8013 k = 0.2536 0.4393-0.0000 ( 5075 PWs) bands (ev): -31.2692 -31.2692 -31.2638 -31.2638 -12.5724 -12.5724 -12.5447 -12.5447 -12.2199 -12.2199 -12.1725 -12.1725 -12.1649 -12.1649 -12.1522 -12.1522 0.0831 0.0831 0.2400 0.2400 3.6936 3.6936 3.7663 3.7663 4.2169 4.2169 4.4304 4.4304 4.5855 4.5855 4.8308 4.8308 5.3735 5.3735 5.5488 5.5488 5.6909 5.6909 5.9262 5.9262 6.1594 6.1594 6.2466 6.2466 6.7429 6.7429 7.4290 7.4290 8.0230 8.0230 9.1147 9.1147 11.6506 11.6506 12.0763 12.0763 12.4215 12.4215 12.7020 12.7020 12.7948 12.7948 k = 0.2464 0.4267-0.0000 ( 5075 PWs) bands (ev): -31.2693 -31.2693 -31.2639 -31.2639 -12.5724 -12.5724 -12.5445 -12.5445 -12.2199 -12.2199 -12.1725 -12.1725 -12.1644 -12.1644 -12.1519 -12.1519 0.0487 0.0488 0.2256 0.2256 3.6761 3.6761 3.7570 3.7570 4.2347 4.2347 4.4224 4.4224 4.5848 4.5848 4.8191 4.8191 5.3742 5.3742 5.5587 5.5587 5.7139 5.7139 5.9435 5.9435 6.1786 6.1786 6.2581 6.2581 6.8313 6.8313 7.5100 7.5100 7.9550 7.9550 9.1548 9.1548 11.6291 11.6291 12.0348 12.0348 12.4114 12.4114 12.6861 12.6861 12.8184 12.8184 k = 0.2391 0.4142-0.0000 ( 5071 PWs) bands (ev): -31.2693 -31.2693 -31.2639 -31.2639 -12.5724 -12.5724 -12.5442 -12.5442 -12.2199 -12.2199 -12.1723 -12.1723 -12.1639 -12.1639 -12.1515 -12.1515 0.0122 0.0122 0.2097 0.2097 3.6597 3.6597 3.7472 3.7472 4.2511 4.2511 4.4153 4.4153 4.5837 4.5837 4.8063 4.8063 5.3754 5.3754 5.5645 5.5645 5.7391 5.7391 5.9674 5.9674 6.1968 6.1968 6.2790 6.2790 6.9241 6.9241 7.5915 7.5915 7.8880 7.8880 9.1936 9.1936 11.6123 11.6123 11.9941 11.9941 12.4013 12.4013 12.6472 12.6472 12.8587 12.8587 k = 0.2319 0.4016-0.0000 ( 5075 PWs) bands (ev): -31.2693 -31.2693 -31.2639 -31.2639 -12.5723 -12.5723 -12.5440 -12.5440 -12.2199 -12.2199 -12.1722 -12.1722 -12.1634 -12.1634 -12.1511 -12.1511 -0.0264 -0.0264 0.1925 0.1925 3.6445 3.6445 3.7370 3.7370 4.2662 4.2662 4.4091 4.4091 4.5821 4.5821 4.7925 4.7925 5.3773 5.3773 5.5676 5.5676 5.7633 5.7633 5.9981 5.9981 6.2114 6.2114 6.3139 6.3139 7.0207 7.0207 7.6656 7.6656 7.8301 7.8301 9.2309 9.2309 11.6001 11.6001 11.9542 11.9542 12.3913 12.3913 12.5987 12.5987 12.9028 12.9028 k = 0.2246 0.3891-0.0000 ( 5079 PWs) bands (ev): -31.2694 -31.2694 -31.2640 -31.2640 -12.5723 -12.5723 -12.5437 -12.5437 -12.2199 -12.2199 -12.1720 -12.1720 -12.1629 -12.1629 -12.1507 -12.1507 -0.0666 -0.0666 0.1740 0.1740 3.6307 3.6307 3.7262 3.7262 4.2798 4.2798 4.4038 4.4038 4.5798 4.5798 4.7777 4.7777 5.3802 5.3802 5.5690 5.5690 5.7848 5.7848 6.0354 6.0354 6.2223 6.2223 6.3637 6.3637 7.1204 7.1204 7.6874 7.6874 7.8261 7.8261 9.2665 9.2665 11.5929 11.5929 11.9152 11.9152 12.3814 12.3814 12.5451 12.5451 12.9464 12.9464 k = 0.2174 0.3765-0.0000 ( 5089 PWs) bands (ev): -31.2694 -31.2694 -31.2640 -31.2640 -12.5722 -12.5722 -12.5434 -12.5434 -12.2198 -12.2198 -12.1718 -12.1718 -12.1624 -12.1624 -12.1502 -12.1502 -0.1085 -0.1085 0.1543 0.1543 3.6184 3.6184 3.7149 3.7149 4.2921 4.2921 4.3994 4.3994 4.5768 4.5768 4.7620 4.7620 5.3841 5.3841 5.5693 5.5693 5.8028 5.8028 6.0789 6.0789 6.2313 6.2313 6.4274 6.4274 7.2228 7.2228 7.6364 7.6364 7.8968 7.8968 9.3000 9.3000 11.5905 11.5905 11.8770 11.8770 12.3714 12.3714 12.4884 12.4884 12.9874 12.9874 k = 0.2101 0.3640-0.0000 ( 5087 PWs) bands (ev): -31.2695 -31.2695 -31.2640 -31.2640 -12.5722 -12.5722 -12.5431 -12.5431 -12.2198 -12.2198 -12.1716 -12.1716 -12.1619 -12.1619 -12.1497 -12.1497 -0.1515 -0.1515 0.1337 0.1337 3.6076 3.6076 3.7032 3.7032 4.3029 4.3029 4.3957 4.3957 4.5732 4.5732 4.7458 4.7458 5.3891 5.3891 5.5689 5.5689 5.8170 5.8170 6.1280 6.1280 6.2401 6.2401 6.5030 6.5030 7.3275 7.3275 7.5679 7.5679 7.9868 7.9868 9.3315 9.3315 11.5928 11.5928 11.8399 11.8399 12.3610 12.3610 12.4303 12.4303 13.0241 13.0241 k = 0.2029 0.3514-0.0000 ( 5095 PWs) bands (ev): -31.2695 -31.2695 -31.2640 -31.2640 -12.5721 -12.5721 -12.5428 -12.5428 -12.2198 -12.2198 -12.1713 -12.1713 -12.1614 -12.1614 -12.1493 -12.1493 -0.1956 -0.1956 0.1122 0.1122 3.5981 3.5981 3.6910 3.6910 4.3124 4.3124 4.3927 4.3927 4.5691 4.5691 4.7292 4.7292 5.3951 5.3951 5.5679 5.5679 5.8277 5.8277 6.1801 6.1801 6.2521 6.2521 6.5893 6.5893 7.4335 7.4335 7.4963 7.4963 8.0827 8.0827 9.3606 9.3606 11.5993 11.5993 11.8042 11.8042 12.3499 12.3499 12.3719 12.3719 13.0548 13.0548 k = 0.1957 0.3389-0.0000 ( 5095 PWs) bands (ev): -31.2695 -31.2695 -31.2641 -31.2641 -12.5721 -12.5721 -12.5424 -12.5424 -12.2197 -12.2197 -12.1710 -12.1710 -12.1609 -12.1609 -12.1487 -12.1487 -0.2404 -0.2404 0.0899 0.0899 3.5900 3.5900 3.6785 3.6785 4.3205 4.3205 4.3903 4.3903 4.5647 4.5647 4.7125 4.7125 5.4019 5.4019 5.5667 5.5667 5.8354 5.8354 6.2221 6.2221 6.2806 6.2806 6.6846 6.6846 7.4213 7.4213 7.5434 7.5434 8.1818 8.1818 9.3874 9.3874 11.6085 11.6085 11.7711 11.7711 12.3135 12.3135 12.3386 12.3386 13.0783 13.0783 k = 0.1884 0.3263-0.0000 ( 5093 PWs) bands (ev): -31.2696 -31.2696 -31.2641 -31.2641 -12.5720 -12.5720 -12.5421 -12.5421 -12.2196 -12.2196 -12.1707 -12.1707 -12.1604 -12.1604 -12.1482 -12.1482 -0.2858 -0.2858 0.0671 0.0671 3.5832 3.5832 3.6657 3.6657 4.3275 4.3275 4.3882 4.3882 4.5603 4.5603 4.6958 4.6958 5.4095 5.4095 5.5654 5.5654 5.8404 5.8404 6.2402 6.2402 6.3397 6.3397 6.7880 6.7880 7.3481 7.3481 7.6527 7.6527 8.2832 8.2832 9.4119 9.4119 11.6168 11.6168 11.7441 11.7441 12.2574 12.2574 12.3250 12.3250 13.0938 13.0938 k = 0.1812 0.3138-0.0000 ( 5101 PWs) bands (ev): -31.2696 -31.2696 -31.2642 -31.2642 -12.5720 -12.5720 -12.5417 -12.5417 -12.2196 -12.2196 -12.1703 -12.1703 -12.1598 -12.1598 -12.1476 -12.1476 -0.3314 -0.3314 0.0438 0.0438 3.5774 3.5774 3.6527 3.6527 4.3333 4.3333 4.3864 4.3864 4.5560 4.5560 4.6796 4.6796 5.4176 5.4176 5.5640 5.5640 5.8434 5.8434 6.2489 6.2489 6.4144 6.4144 6.8980 6.8980 7.2753 7.2753 7.7630 7.7630 8.3867 8.3867 9.4339 9.4339 11.6156 11.6156 11.7313 11.7313 12.2036 12.2036 12.3095 12.3095 13.1013 13.1013 k = 0.1739 0.3012-0.0000 ( 5101 PWs) bands (ev): -31.2697 -31.2697 -31.2642 -31.2642 -12.5720 -12.5720 -12.5413 -12.5413 -12.2196 -12.2196 -12.1699 -12.1699 -12.1593 -12.1593 -12.1471 -12.1471 -0.3770 -0.3770 0.0203 0.0203 3.5727 3.5727 3.6396 3.6396 4.3381 4.3381 4.3846 4.3846 4.5521 4.5521 4.6640 4.6640 5.4261 5.4261 5.5629 5.5629 5.8446 5.8446 6.2551 6.2551 6.4977 6.4977 7.0128 7.0128 7.2048 7.2048 7.8740 7.8740 8.4918 8.4918 9.4538 9.4538 11.5975 11.5975 11.7396 11.7396 12.1529 12.1529 12.2913 12.2913 13.1013 13.1013 k = 0.1667 0.2887-0.0000 ( 5095 PWs) bands (ev): -31.2697 -31.2697 -31.2642 -31.2642 -12.5719 -12.5719 -12.5409 -12.5409 -12.2195 -12.2195 -12.1695 -12.1695 -12.1587 -12.1587 -12.1465 -12.1465 -0.4224 -0.4224 -0.0034 -0.0034 3.5687 3.5687 3.6265 3.6265 4.3419 4.3419 4.3825 4.3825 4.5488 4.5488 4.6494 4.6494 5.4349 5.4349 5.5619 5.5619 5.8444 5.8444 6.2601 6.2601 6.5877 6.5877 7.1034 7.1034 7.1654 7.1654 7.9852 7.9852 8.5983 8.5983 9.4716 9.4716 11.5667 11.5667 11.7643 11.7643 12.1058 12.1058 12.2695 12.2695 13.0950 13.0950 k = 0.1594 0.2761-0.0000 ( 5091 PWs) bands (ev): -31.2698 -31.2698 -31.2643 -31.2643 -12.5719 -12.5719 -12.5405 -12.5405 -12.2195 -12.2195 -12.1691 -12.1691 -12.1581 -12.1581 -12.1459 -12.1459 -0.4673 -0.4673 -0.0272 -0.0272 3.5655 3.5655 3.6134 3.6134 4.3451 4.3451 4.3800 4.3800 4.5461 4.5461 4.6363 4.6363 5.4437 5.4437 5.5613 5.5613 5.8431 5.8431 6.2641 6.2641 6.6832 6.6832 7.0535 7.0535 7.2733 7.2733 8.0961 8.0961 8.7058 8.7058 9.4876 9.4876 11.5298 11.5298 11.7982 11.7982 12.0629 12.0629 12.2436 12.2436 13.0835 13.0835 k = 0.1522 0.2636-0.0000 ( 5091 PWs) bands (ev): -31.2698 -31.2698 -31.2643 -31.2643 -12.5718 -12.5718 -12.5401 -12.5401 -12.2194 -12.2194 -12.1687 -12.1687 -12.1576 -12.1576 -12.1453 -12.1453 -0.5116 -0.5116 -0.0508 -0.0508 3.5627 3.5627 3.6004 3.6004 4.3477 4.3477 4.3769 4.3769 4.5437 4.5437 4.6250 4.6250 5.4526 5.4526 5.5610 5.5610 5.8410 5.8410 6.2674 6.2674 6.7827 6.7827 6.9886 6.9886 7.4043 7.4043 8.2064 8.2064 8.8141 8.8141 9.5021 9.5021 11.4899 11.4899 11.8372 11.8372 12.0243 12.0243 12.2132 12.2132 13.0681 13.0681 k = 0.1449 0.2510-0.0000 ( 5091 PWs) bands (ev): -31.2699 -31.2699 -31.2643 -31.2643 -12.5718 -12.5718 -12.5397 -12.5397 -12.2193 -12.2193 -12.1683 -12.1683 -12.1570 -12.1570 -12.1447 -12.1447 -0.5551 -0.5551 -0.0742 -0.0742 3.5603 3.5603 3.5877 3.5877 4.3499 4.3499 4.3730 4.3730 4.5413 4.5413 4.6162 4.6162 5.4615 5.4615 5.5612 5.5612 5.8383 5.8383 6.2696 6.2696 6.8701 6.8701 6.9414 6.9414 7.5409 7.5409 8.3156 8.3156 8.9228 8.9228 9.5155 9.5155 11.4485 11.4485 11.8778 11.8778 11.9901 11.9901 12.1790 12.1790 13.0499 13.0499 k = 0.1377 0.2385-0.0000 ( 5093 PWs) bands (ev): -31.2699 -31.2699 -31.2644 -31.2644 -12.5717 -12.5717 -12.5393 -12.5393 -12.2192 -12.2192 -12.1680 -12.1680 -12.1564 -12.1564 -12.1442 -12.1442 -0.5975 -0.5975 -0.0972 -0.0972 3.5577 3.5577 3.5756 3.5756 4.3519 4.3519 4.3685 4.3685 4.5383 4.5383 4.6106 4.6106 5.4702 5.4702 5.5618 5.5618 5.8351 5.8351 6.2706 6.2706 6.8434 6.8434 7.0150 7.0150 7.6820 7.6820 8.4232 8.4232 9.0311 9.0311 9.5285 9.5285 11.4065 11.4065 11.9139 11.9139 11.9603 11.9603 12.1451 12.1451 13.0297 13.0297 k = 0.1304 0.2259-0.0000 ( 5093 PWs) bands (ev): -31.2700 -31.2700 -31.2644 -31.2644 -12.5717 -12.5717 -12.5389 -12.5389 -12.2192 -12.2192 -12.1676 -12.1676 -12.1557 -12.1557 -12.1436 -12.1436 -0.6387 -0.6387 -0.1198 -0.1198 3.5538 3.5538 3.5654 3.5654 4.3538 4.3538 4.3633 4.3633 4.5342 4.5342 4.6084 4.6084 5.4788 5.4788 5.5628 5.5628 5.8315 5.8315 6.2701 6.2701 6.7844 6.7844 7.1278 7.1278 7.8269 7.8269 8.5286 8.5286 9.1381 9.1381 9.5421 9.5421 11.3646 11.3646 11.9236 11.9236 11.9423 11.9423 12.1243 12.1243 13.0084 13.0084 k = 0.1232 0.2134-0.0000 ( 5091 PWs) bands (ev): -31.2700 -31.2700 -31.2645 -31.2645 -12.5717 -12.5717 -12.5385 -12.5385 -12.2191 -12.2191 -12.1673 -12.1673 -12.1551 -12.1551 -12.1430 -12.1430 -0.6785 -0.6785 -0.1417 -0.1417 3.5459 3.5459 3.5597 3.5597 4.3549 4.3549 4.3584 4.3584 4.5289 4.5289 4.6097 4.6097 5.4873 5.4873 5.5643 5.5643 5.8277 5.8277 6.2676 6.2676 6.7262 6.7262 7.2471 7.2471 7.9752 7.9752 8.6314 8.6314 9.2417 9.2417 9.5586 9.5586 11.3235 11.3235 11.8923 11.8923 11.9304 11.9304 12.1352 12.1352 12.9864 12.9864 k = 0.1159 0.2008-0.0000 ( 5089 PWs) bands (ev): -31.2701 -31.2701 -31.2645 -31.2645 -12.5716 -12.5716 -12.5381 -12.5381 -12.2190 -12.2190 -12.1670 -12.1670 -12.1545 -12.1545 -12.1424 -12.1424 -0.7168 -0.7168 -0.1629 -0.1629 3.5352 3.5352 3.5572 3.5572 4.3507 4.3507 4.3585 4.3585 4.5229 4.5229 4.6138 4.6138 5.4957 5.4957 5.5662 5.5662 5.8237 5.8237 6.2624 6.2624 6.6715 6.6715 7.3709 7.3709 8.1266 8.1266 8.7308 8.7308 9.3373 9.3373 9.5824 9.5824 11.2838 11.2838 11.8372 11.8372 11.9103 11.9103 12.1742 12.1742 12.9643 12.9643 k = 0.1087 0.1883-0.0000 ( 5085 PWs) bands (ev): -31.2701 -31.2701 -31.2645 -31.2645 -12.5716 -12.5716 -12.5377 -12.5377 -12.2189 -12.2189 -12.1667 -12.1667 -12.1539 -12.1539 -12.1419 -12.1419 -0.7534 -0.7534 -0.1834 -0.1834 3.5242 3.5242 3.5555 3.5555 4.3445 4.3445 4.3606 4.3606 4.5164 4.5164 4.6202 4.6202 5.5039 5.5039 5.5685 5.5685 5.8197 5.8197 6.2539 6.2539 6.6215 6.6215 7.4983 7.4983 8.2807 8.2807 8.8263 8.8263 9.4157 9.4157 9.6230 9.6230 11.2461 11.2461 11.7598 11.7598 11.8947 11.8947 12.2263 12.2263 12.9424 12.9424 k = 0.1014 0.1757-0.0000 ( 5093 PWs) bands (ev): -31.2701 -31.2701 -31.2646 -31.2646 -12.5716 -12.5716 -12.5373 -12.5373 -12.2189 -12.2189 -12.1663 -12.1663 -12.1533 -12.1533 -12.1414 -12.1414 -0.7882 -0.7882 -0.2029 -0.2029 3.5133 3.5133 3.5540 3.5540 4.3380 4.3380 4.3630 4.3630 4.5099 4.5099 4.6283 4.6283 5.5122 5.5122 5.5710 5.5710 5.8158 5.8158 6.2409 6.2409 6.5773 6.5773 7.6290 7.6290 8.4370 8.4370 8.9173 8.9173 9.4670 9.4670 9.6901 9.6901 11.2106 11.2106 11.6675 11.6675 11.8836 11.8836 12.2835 12.2835 12.9208 12.9208 k = 0.0942 0.1632-0.0000 ( 5093 PWs) bands (ev): -31.2702 -31.2702 -31.2646 -31.2646 -12.5716 -12.5716 -12.5370 -12.5370 -12.2189 -12.2189 -12.1661 -12.1661 -12.1527 -12.1527 -12.1409 -12.1409 -0.8211 -0.8211 -0.2215 -0.2215 3.5029 3.5029 3.5527 3.5527 4.3316 4.3316 4.3657 4.3657 4.5036 4.5036 4.6375 4.6375 5.5205 5.5205 5.5738 5.5738 5.8119 5.8119 6.2228 6.2228 6.5401 6.5401 7.7627 7.7627 8.5951 8.5951 9.0031 9.0031 9.4956 9.4956 9.7796 9.7796 11.1777 11.1777 11.5645 11.5645 11.8760 11.8760 12.3426 12.3426 12.9000 12.9000 k = 0.0870 0.1506-0.0000 ( 5095 PWs) bands (ev): -31.2702 -31.2702 -31.2647 -31.2647 -12.5716 -12.5716 -12.5366 -12.5366 -12.2188 -12.2188 -12.1658 -12.1658 -12.1521 -12.1521 -12.1404 -12.1404 -0.8519 -0.8519 -0.2390 -0.2390 3.4930 3.4930 3.5513 3.5513 4.3253 4.3253 4.3686 4.3686 4.4975 4.4975 4.6476 4.6476 5.5289 5.5289 5.5767 5.5767 5.8081 5.8081 6.1993 6.1993 6.5102 6.5102 7.8991 7.8991 8.7541 8.7541 9.0834 9.0834 9.5124 9.5124 9.8805 9.8805 11.1470 11.1470 11.4538 11.4538 11.8713 11.8713 12.4014 12.4014 12.8797 12.8798 k = 0.0797 0.1381-0.0000 ( 5091 PWs) bands (ev): -31.2703 -31.2703 -31.2647 -31.2647 -12.5715 -12.5715 -12.5363 -12.5363 -12.2188 -12.2188 -12.1656 -12.1656 -12.1515 -12.1515 -12.1400 -12.1400 -0.8807 -0.8807 -0.2554 -0.2554 3.4836 3.4836 3.5500 3.5500 4.3193 4.3193 4.3717 4.3717 4.4919 4.4919 4.6581 4.6581 5.5377 5.5377 5.5797 5.5797 5.8046 5.8046 6.1708 6.1708 6.4873 6.4873 8.0377 8.0377 8.9127 8.9127 9.1583 9.1583 9.5242 9.5242 9.9864 9.9864 11.1173 11.1173 11.3383 11.3383 11.8689 11.8689 12.4583 12.4583 12.8577 12.8577 k = 0.0725 0.1255-0.0000 ( 5101 PWs) bands (ev): -31.2703 -31.2703 -31.2647 -31.2647 -12.5715 -12.5715 -12.5360 -12.5360 -12.2187 -12.2187 -12.1654 -12.1654 -12.1510 -12.1510 -12.1396 -12.1396 -0.9072 -0.9072 -0.2706 -0.2706 3.4749 3.4749 3.5486 3.5486 4.3136 4.3136 4.3750 4.3750 4.4866 4.4866 4.6687 4.6687 5.5467 5.5467 5.5826 5.5826 5.8013 5.8013 6.1384 6.1384 6.4706 6.4706 8.1784 8.1784 9.0678 9.0678 9.2292 9.2292 9.5345 9.5345 10.0940 10.0940 11.0827 11.0827 11.2255 11.2255 11.8684 11.8684 12.5118 12.5118 12.7790 12.7790 k = 0.0652 0.1130-0.0000 ( 5109 PWs) bands (ev): -31.2703 -31.2703 -31.2648 -31.2648 -12.5715 -12.5715 -12.5358 -12.5358 -12.2187 -12.2187 -12.1653 -12.1653 -12.1505 -12.1505 -12.1392 -12.1392 -0.9314 -0.9314 -0.2845 -0.2845 3.4668 3.4668 3.5473 3.5473 4.3084 4.3084 4.3784 4.3784 4.4818 4.4818 4.6794 4.6794 5.5562 5.5562 5.5855 5.5855 5.7982 5.7982 6.1036 6.1036 6.4586 6.4586 8.3207 8.3207 9.2082 9.2082 9.3042 9.3042 9.5469 9.5469 10.2016 10.2016 11.0187 11.0187 11.1411 11.1411 11.8695 11.8695 12.5587 12.5587 12.6694 12.6694 k = 0.0580 0.1004-0.0000 ( 5123 PWs) bands (ev): -31.2704 -31.2704 -31.2648 -31.2648 -12.5716 -12.5716 -12.5356 -12.5356 -12.2187 -12.2187 -12.1652 -12.1652 -12.1501 -12.1501 -12.1388 -12.1388 -0.9533 -0.9533 -0.2971 -0.2971 3.4595 3.4595 3.5460 3.5460 4.3036 4.3036 4.3817 4.3817 4.4773 4.4773 4.6897 4.6897 5.5660 5.5660 5.5882 5.5882 5.7954 5.7954 6.0678 6.0678 6.4502 6.4502 8.4642 8.4642 9.3029 9.3029 9.4038 9.4038 9.5717 9.5717 10.3075 10.3075 10.9075 10.9075 11.1039 11.1039 11.8716 11.8716 12.5421 12.5421 12.6161 12.6161 k = 0.0507 0.0879-0.0000 ( 5123 PWs) bands (ev): -31.2704 -31.2704 -31.2648 -31.2648 -12.5716 -12.5716 -12.5353 -12.5353 -12.2187 -12.2187 -12.1650 -12.1650 -12.1497 -12.1497 -12.1385 -12.1385 -0.9727 -0.9727 -0.3083 -0.3083 3.4530 3.4530 3.5448 3.5448 4.2993 4.2993 4.3851 4.3851 4.4733 4.4733 4.6995 4.6995 5.5763 5.5763 5.5907 5.5907 5.7929 5.7929 6.0324 6.0324 6.4443 6.4443 8.6083 8.6083 9.3595 9.3595 9.4836 9.4836 9.6452 9.6452 10.4098 10.4098 10.7769 10.7769 11.0880 11.0880 11.8745 11.8745 12.4335 12.4335 12.6489 12.6489 k = 0.0435 0.0753-0.0000 ( 5131 PWs) bands (ev): -31.2704 -31.2704 -31.2648 -31.2648 -12.5716 -12.5716 -12.5352 -12.5352 -12.2186 -12.2186 -12.1649 -12.1649 -12.1493 -12.1493 -12.1382 -12.1382 -0.9896 -0.9896 -0.3182 -0.3182 3.4472 3.4472 3.5437 3.5437 4.2956 4.2956 4.3883 4.3883 4.4697 4.4697 4.7085 4.7085 5.5865 5.5865 5.5934 5.5934 5.7907 5.7907 5.9983 5.9983 6.4402 6.4402 8.7523 8.7523 9.4025 9.4025 9.5117 9.5117 9.7743 9.7743 10.5042 10.5042 10.6413 10.6413 11.0820 11.0820 11.8777 11.8777 12.3225 12.3225 12.5478 12.5478 k = 0.0362 0.0628-0.0000 ( 5129 PWs) bands (ev): -31.2704 -31.2704 -31.2648 -31.2648 -12.5715 -12.5715 -12.5350 -12.5350 -12.2186 -12.2186 -12.1649 -12.1649 -12.1490 -12.1490 -12.1380 -12.1380 -1.0041 -1.0041 -0.3265 -0.3265 3.4423 3.4423 3.5427 3.5427 4.2924 4.2924 4.3913 4.3913 4.4665 4.4665 4.7165 4.7165 5.5933 5.5933 5.5993 5.5993 5.7889 5.7889 5.9666 5.9666 6.4374 6.4374 8.8948 8.8948 9.4382 9.4382 9.5222 9.5222 9.9172 9.9172 10.4921 10.4921 10.5990 10.5990 11.0847 11.0847 11.8808 11.8808 12.2148 12.2148 12.3987 12.3987 k = 0.0290 0.0502-0.0000 ( 5135 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5349 -12.5349 -12.2186 -12.2186 -12.1648 -12.1648 -12.1487 -12.1487 -12.1378 -12.1378 -1.0159 -1.0159 -0.3334 -0.3334 3.4382 3.4382 3.5418 3.5418 4.2897 4.2897 4.3940 4.3940 4.4638 4.4638 4.7234 4.7234 5.5955 5.5955 5.6093 5.6093 5.7874 5.7874 5.9381 5.9381 6.4355 6.4355 9.0333 9.0333 9.4700 9.4700 9.5276 9.5276 10.0571 10.0571 10.3539 10.3539 10.6661 10.6661 11.0978 11.0978 11.8837 11.8837 12.1135 12.1135 12.2597 12.2597 k = 0.0217 0.0377-0.0000 ( 5143 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5348 -12.5348 -12.2186 -12.2186 -12.1648 -12.1648 -12.1486 -12.1486 -12.1376 -12.1376 -1.0252 -1.0252 -0.3388 -0.3388 3.4351 3.4351 3.5411 3.5411 4.2877 4.2877 4.3962 4.3962 4.4615 4.4615 4.7290 4.7290 5.5969 5.5969 5.6191 5.6191 5.7862 5.7862 5.9140 5.9140 6.4342 6.4342 9.1625 9.1625 9.5019 9.5019 9.5313 9.5313 10.1810 10.1810 10.2195 10.2195 10.7132 10.7132 11.1228 11.1228 11.8857 11.8857 12.0230 12.0230 12.1367 12.1367 k = 0.0145 0.0251-0.0000 ( 5155 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5348 -12.5348 -12.2186 -12.2186 -12.1647 -12.1647 -12.1484 -12.1484 -12.1375 -12.1375 -1.0318 -1.0318 -0.3427 -0.3427 3.4328 3.4328 3.5406 3.5406 4.2862 4.2862 4.3979 4.3979 4.4599 4.4599 4.7331 4.7331 5.5978 5.5978 5.6273 5.6273 5.7854 5.7854 5.8953 5.8953 6.4334 6.4334 9.2707 9.2707 9.5300 9.5300 9.5462 9.5462 10.0778 10.0778 10.2981 10.2981 10.7357 10.7357 11.1559 11.1559 11.8865 11.8865 11.9491 11.9491 12.0376 12.0376 k = 0.0072 0.0126-0.0000 ( 5147 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5347 -12.5347 -12.2186 -12.2186 -12.1647 -12.1647 -12.1483 -12.1483 -12.1374 -12.1374 -1.0358 -1.0358 -0.3450 -0.3450 3.4314 3.4314 3.5403 3.5403 4.2853 4.2853 4.3990 4.3990 4.4589 4.4589 4.7356 4.7356 5.5984 5.5984 5.6329 5.6329 5.7849 5.7849 5.8833 5.8833 6.4330 6.4330 9.3396 9.3396 9.5327 9.5327 9.6020 9.6020 9.9606 9.9606 10.3760 10.3760 10.7394 10.7394 11.1859 11.1859 11.8852 11.8852 11.8995 11.8995 11.9730 11.9730 k = 0.0000 0.0000 0.0000 ( 5143 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5347 -12.5347 -12.2186 -12.2186 -12.1647 -12.1647 -12.1483 -12.1483 -12.1374 -12.1374 -1.0371 -1.0371 -0.3458 -0.3458 3.4309 3.4309 3.5402 3.5402 4.2850 4.2850 4.3993 4.3993 4.4585 4.4585 4.7364 4.7364 5.5986 5.5986 5.6349 5.6349 5.7848 5.7848 5.8792 5.8792 6.4328 6.4328 9.3616 9.3616 9.5331 9.5331 9.6403 9.6403 9.9031 9.9031 10.4053 10.4053 10.7377 10.7377 11.1982 11.1982 11.8807 11.8807 11.8846 11.8846 11.9512 11.9512 k = 0.0000 0.0000 0.0000 ( 5143 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5716 -12.5716 -12.5347 -12.5347 -12.2186 -12.2186 -12.1647 -12.1647 -12.1483 -12.1483 -12.1374 -12.1374 -1.0371 -1.0371 -0.3458 -0.3458 3.4309 3.4309 3.5402 3.5402 4.2850 4.2850 4.3993 4.3993 4.4585 4.4585 4.7364 4.7364 5.5986 5.5986 5.6349 5.6349 5.7848 5.7848 5.8792 5.8792 6.4328 6.4328 9.3616 9.3616 9.5331 9.5331 9.6403 9.6403 9.9031 9.9031 10.4053 10.4053 10.7377 10.7377 11.1982 11.1982 11.8807 11.8807 11.8846 11.8846 11.9512 11.9512 k = 0.0000 0.0000 0.0141 ( 5143 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5715 -12.5715 -12.5347 -12.5347 -12.2185 -12.2185 -12.1648 -12.1648 -12.1483 -12.1483 -12.1374 -12.1374 -1.0362 -1.0362 -0.3469 -0.3469 3.4311 3.4311 3.5400 3.5400 4.2852 4.2852 4.3994 4.3994 4.4584 4.4584 4.7349 4.7349 5.5989 5.5989 5.6355 5.6355 5.7845 5.7845 5.8788 5.8788 6.4372 6.4372 9.3630 9.3630 9.5255 9.5255 9.6419 9.6419 9.9037 9.9037 10.4077 10.4077 10.7338 10.7338 11.1938 11.1938 11.8820 11.8820 11.8900 11.8900 11.9522 11.9522 k = 0.0000 0.0000 0.0282 ( 5131 PWs) bands (ev): -31.2705 -31.2705 -31.2649 -31.2649 -12.5712 -12.5712 -12.5348 -12.5348 -12.2183 -12.2183 -12.1650 -12.1650 -12.1482 -12.1482 -12.1374 -12.1374 -1.0337 -1.0337 -0.3502 -0.3502 3.4315 3.4315 3.5395 3.5395 4.2859 4.2859 4.3994 4.3994 4.4581 4.4581 4.7303 4.7303 5.6000 5.6000 5.6371 5.6371 5.7838 5.7838 5.8774 5.8774 6.4503 6.4503 9.3672 9.3672 9.5030 9.5030 9.6465 9.6465 9.9056 9.9056 10.4146 10.4146 10.7224 10.7224 11.1807 11.1807 11.8860 11.8860 11.9061 11.9061 11.9552 11.9552 k = 0.0000 0.0000 0.0422 ( 5119 PWs) bands (ev): -31.2704 -31.2704 -31.2650 -31.2650 -12.5709 -12.5709 -12.5350 -12.5350 -12.2179 -12.2179 -12.1654 -12.1654 -12.1481 -12.1481 -12.1375 -12.1375 -1.0294 -1.0294 -0.3557 -0.3557 3.4323 3.4323 3.5387 3.5387 4.2869 4.2869 4.3994 4.3994 4.4576 4.4576 4.7230 4.7230 5.6017 5.6017 5.6396 5.6396 5.7825 5.7825 5.8752 5.8752 6.4720 6.4720 9.3742 9.3742 9.4671 9.4671 9.6542 9.6542 9.9088 9.9088 10.4245 10.4245 10.7039 10.7039 11.1596 11.1596 11.8925 11.8925 11.9325 11.9325 11.9602 11.9602 k = 0.0000 0.0000 0.0563 ( 5131 PWs) bands (ev): -31.2704 -31.2704 -31.2650 -31.2650 -12.5705 -12.5705 -12.5353 -12.5353 -12.2175 -12.2175 -12.1660 -12.1660 -12.1481 -12.1481 -12.1376 -12.1376 -1.0235 -1.0235 -0.3633 -0.3633 3.4333 3.4333 3.5377 3.5377 4.2884 4.2884 4.3993 4.3993 4.4569 4.4569 4.7131 4.7131 5.6041 5.6041 5.6428 5.6428 5.7808 5.7808 5.8721 5.8721 6.5021 6.5021 9.3840 9.3840 9.4194 9.4194 9.6649 9.6649 9.9132 9.9132 10.4358 10.4358 10.6791 10.6791 11.1311 11.1311 11.9016 11.9016 11.9672 11.9672 11.9685 11.9685 k = 0.0000 0.0000 0.0704 ( 5120 PWs) bands (ev): -31.2703 -31.2703 -31.2651 -31.2651 -12.5700 -12.5700 -12.5356 -12.5356 -12.2170 -12.2170 -12.1668 -12.1668 -12.1479 -12.1479 -12.1378 -12.1378 -1.0160 -1.0160 -0.3730 -0.3730 3.4346 3.4346 3.5363 3.5363 4.2903 4.2903 4.3993 4.3993 4.4561 4.4561 4.7012 4.7012 5.6073 5.6073 5.6466 5.6466 5.7787 5.7787 5.8682 5.8682 6.5403 6.5403 9.3619 9.3619 9.3965 9.3965 9.6786 9.6786 9.9189 9.9189 10.4466 10.4466 10.6489 10.6489 11.0962 11.0962 11.9131 11.9131 11.9761 11.9761 12.0131 12.0131 k = 0.0000 0.0000 0.0845 ( 5108 PWs) bands (ev): -31.2702 -31.2702 -31.2652 -31.2652 -12.5693 -12.5693 -12.5360 -12.5360 -12.2162 -12.2162 -12.1677 -12.1677 -12.1477 -12.1477 -12.1379 -12.1379 -1.0068 -1.0068 -0.3847 -0.3847 3.4362 3.4362 3.5346 3.5346 4.2926 4.2926 4.3991 4.3991 4.4552 4.4552 4.6877 4.6877 5.6110 5.6110 5.6507 5.6507 5.7761 5.7761 5.8635 5.8635 6.5863 6.5863 9.2962 9.2962 9.4117 9.4117 9.6953 9.6953 9.9260 9.9260 10.4554 10.4554 10.6142 10.6142 11.0559 11.0559 11.9271 11.9271 11.9872 11.9872 12.0654 12.0654 k = 0.0000 0.0000 0.0986 ( 5114 PWs) bands (ev): -31.2701 -31.2701 -31.2652 -31.2652 -12.5685 -12.5685 -12.5366 -12.5366 -12.2154 -12.2154 -12.1688 -12.1688 -12.1475 -12.1475 -12.1381 -12.1381 -0.9960 -0.9960 -0.3983 -0.3983 3.4380 3.4380 3.5326 3.5326 4.2952 4.2952 4.3989 4.3989 4.4543 4.4543 4.6729 4.6729 5.6154 5.6154 5.6549 5.6549 5.7731 5.7731 5.8580 5.8580 6.6395 6.6395 9.2236 9.2236 9.4295 9.4295 9.7149 9.7149 9.9345 9.9345 10.4607 10.4607 10.5762 10.5762 11.0112 11.0112 11.9434 11.9434 12.0001 12.0001 12.1244 12.1244 k = 0.0000 0.0000 0.1126 ( 5102 PWs) bands (ev): -31.2700 -31.2700 -31.2654 -31.2654 -12.5676 -12.5676 -12.5371 -12.5371 -12.2145 -12.2145 -12.1700 -12.1700 -12.1473 -12.1473 -12.1383 -12.1383 -0.9836 -0.9836 -0.4137 -0.4137 3.4402 3.4402 3.5304 3.5304 4.2982 4.2982 4.3984 4.3984 4.4535 4.4535 4.6574 4.6574 5.6205 5.6205 5.6592 5.6592 5.7697 5.7697 5.8518 5.8518 6.6996 6.6996 9.1455 9.1455 9.4499 9.4499 9.7373 9.7373 9.9443 9.9443 10.4606 10.4606 10.5367 10.5367 10.9629 10.9629 11.9621 11.9621 12.0151 12.0151 12.1888 12.1888 k = 0.0000 0.0000 0.1267 ( 5102 PWs) bands (ev): -31.2699 -31.2699 -31.2655 -31.2655 -12.5667 -12.5667 -12.5378 -12.5378 -12.2135 -12.2135 -12.1713 -12.1713 -12.1470 -12.1470 -12.1386 -12.1386 -0.9698 -0.9698 -0.4308 -0.4308 3.4425 3.4425 3.5279 3.5279 4.3016 4.3016 4.3977 4.3977 4.4528 4.4528 4.6414 4.6414 5.6262 5.6262 5.6634 5.6634 5.7660 5.7660 5.8449 5.8449 6.7660 6.7660 9.0626 9.0626 9.4728 9.4728 9.7625 9.7625 9.9556 9.9556 10.4511 10.4511 10.5001 10.5001 10.9117 10.9117 11.9831 11.9831 12.0320 12.0320 12.2575 12.2575 k = 0.0000 0.0000 0.1408 ( 5108 PWs) bands (ev): -31.2697 -31.2697 -31.2656 -31.2656 -12.5657 -12.5657 -12.5386 -12.5386 -12.2124 -12.2124 -12.1728 -12.1728 -12.1467 -12.1467 -12.1388 -12.1388 -0.9545 -0.9545 -0.4494 -0.4494 3.4451 3.4451 3.5251 3.5251 4.3053 4.3053 4.3968 4.3968 4.4524 4.4524 4.6253 4.6253 5.6324 5.6324 5.6675 5.6675 5.7620 5.7620 5.8373 5.8373 6.8382 6.8382 8.9757 8.9757 9.4980 9.4980 9.7904 9.7904 9.9683 9.9683 10.4234 10.4234 10.4755 10.4755 10.8584 10.8584 12.0065 12.0065 12.0510 12.0510 12.3293 12.3293 k = 0.0000 0.0000 0.1549 ( 5096 PWs) bands (ev): -31.2696 -31.2696 -31.2658 -31.2658 -12.5645 -12.5645 -12.5394 -12.5394 -12.2111 -12.2111 -12.1744 -12.1744 -12.1464 -12.1464 -12.1391 -12.1391 -0.9379 -0.9379 -0.4695 -0.4695 3.4479 3.4479 3.5222 3.5222 4.3093 4.3093 4.3954 4.3954 4.4524 4.4524 4.6094 4.6094 5.6392 5.6392 5.6715 5.6715 5.7578 5.7578 5.8292 5.8292 6.9158 6.9158 8.8854 8.8854 9.5256 9.5256 9.8209 9.8209 9.9826 9.9826 10.3816 10.3816 10.4594 10.4594 10.8036 10.8036 12.0323 12.0323 12.0719 12.0719 12.4031 12.4031 k = 0.0000 0.0000 0.1690 ( 5102 PWs) bands (ev): -31.2694 -31.2694 -31.2659 -31.2659 -12.5634 -12.5634 -12.5403 -12.5403 -12.2098 -12.2098 -12.1761 -12.1761 -12.1461 -12.1461 -12.1395 -12.1395 -0.9199 -0.9199 -0.4908 -0.4908 3.4510 3.4510 3.5190 3.5190 4.3136 4.3136 4.3936 4.3936 4.4529 4.4529 4.5939 4.5939 5.6465 5.6465 5.6754 5.6754 5.7533 5.7533 5.8206 5.8206 6.9980 6.9980 8.7921 8.7921 9.5554 9.5554 9.8539 9.8539 9.9984 9.9984 10.3351 10.3351 10.4431 10.4431 10.7476 10.7476 12.0604 12.0604 12.0949 12.0949 12.4774 12.4774 k = 0.0000 0.0000 0.1830 ( 5102 PWs) bands (ev): -31.2692 -31.2692 -31.2661 -31.2661 -12.5621 -12.5621 -12.5412 -12.5412 -12.2084 -12.2084 -12.1779 -12.1779 -12.1458 -12.1458 -12.1398 -12.1398 -0.9007 -0.9007 -0.5132 -0.5132 3.4542 3.4542 3.5157 3.5157 4.3181 4.3181 4.3914 4.3914 4.4540 4.4540 4.5790 4.5790 5.6544 5.6544 5.6792 5.6792 5.7487 5.7487 5.8116 5.8116 7.0846 7.0846 8.6962 8.6962 9.5873 9.5873 9.8894 9.8894 10.0158 10.0158 10.2869 10.2869 10.4243 10.4243 10.6910 10.6910 12.0909 12.0909 12.1198 12.1198 12.5506 12.5506 k = 0.0000 0.0000 0.1971 ( 5096 PWs) bands (ev): -31.2691 -31.2691 -31.2663 -31.2663 -12.5608 -12.5608 -12.5422 -12.5422 -12.2068 -12.2068 -12.1797 -12.1797 -12.1454 -12.1454 -12.1401 -12.1401 -0.8804 -0.8804 -0.5366 -0.5366 3.4576 3.4576 3.5122 3.5122 4.3228 4.3228 4.3887 4.3887 4.4557 4.4557 4.5647 4.5647 5.6627 5.6627 5.6830 5.6830 5.7440 5.7440 5.8021 5.8021 7.1749 7.1749 8.5981 8.5981 9.6212 9.6212 9.9272 9.9272 10.0347 10.0347 10.2379 10.2379 10.4028 10.4028 10.6340 10.6340 12.1238 12.1238 12.1468 12.1468 12.6180 12.6180 k = 0.0000 0.0000 0.2112 ( 5096 PWs) bands (ev): -31.2689 -31.2689 -31.2665 -31.2665 -12.5595 -12.5595 -12.5433 -12.5433 -12.2052 -12.2052 -12.1816 -12.1816 -12.1451 -12.1451 -12.1405 -12.1405 -0.8590 -0.8590 -0.5608 -0.5608 3.4611 3.4611 3.5085 3.5085 4.3278 4.3278 4.3855 4.3855 4.4582 4.4582 4.5513 4.5513 5.6714 5.6714 5.6868 5.6868 5.7393 5.7393 5.7923 5.7923 7.2686 7.2686 8.4981 8.4981 9.6570 9.6570 9.9673 9.9673 10.0553 10.0553 10.1889 10.1889 10.3787 10.3787 10.5770 10.5770 12.1591 12.1591 12.1757 12.1757 12.6415 12.6415 k = 0.0000 0.0000 0.2253 ( 5078 PWs) bands (ev): -31.2687 -31.2687 -31.2667 -31.2667 -12.5581 -12.5581 -12.5445 -12.5445 -12.2034 -12.2034 -12.1836 -12.1836 -12.1447 -12.1447 -12.1408 -12.1408 -0.8366 -0.8366 -0.5856 -0.5856 3.4648 3.4648 3.5047 3.5047 4.3328 4.3328 4.3818 4.3818 4.4613 4.4613 4.5387 4.5387 5.6805 5.6805 5.6906 5.6906 5.7345 5.7345 5.7823 5.7823 7.3651 7.3651 8.3964 8.3964 9.6945 9.6945 10.0094 10.0094 10.0774 10.0774 10.1399 10.1399 10.3526 10.3526 10.5203 10.5203 12.1969 12.1969 12.2067 12.2067 12.6063 12.6063 k = 0.0000 0.0000 0.2394 ( 5072 PWs) bands (ev): -31.2685 -31.2685 -31.2668 -31.2668 -12.5566 -12.5566 -12.5457 -12.5457 -12.2016 -12.2016 -12.1856 -12.1856 -12.1443 -12.1443 -12.1412 -12.1412 -0.8134 -0.8134 -0.6109 -0.6109 3.4686 3.4686 3.5008 3.5008 4.3380 4.3380 4.3778 4.3778 4.4653 4.4653 4.5269 4.5269 5.6899 5.6899 5.6945 5.6945 5.7297 5.7297 5.7720 5.7720 7.4640 7.4640 8.2935 8.2935 9.7336 9.7336 10.0536 10.0536 10.0914 10.0914 10.1010 10.1010 10.3249 10.3249 10.4641 10.4641 12.2369 12.2369 12.2395 12.2395 12.5625 12.5625 k = 0.0000 0.0000 0.2534 ( 5060 PWs) bands (ev): -31.2683 -31.2683 -31.2670 -31.2670 -12.5551 -12.5551 -12.5470 -12.5470 -12.1996 -12.1996 -12.1877 -12.1877 -12.1440 -12.1440 -12.1415 -12.1415 -0.7894 -0.7894 -0.6366 -0.6366 3.4726 3.4726 3.4968 3.4968 4.3432 4.3432 4.3734 4.3734 4.4700 4.4700 4.5161 4.5161 5.6985 5.6985 5.6997 5.6997 5.7249 5.7249 5.7616 5.7616 7.5649 7.5649 8.1896 8.1896 9.7743 9.7743 10.0434 10.0434 10.0997 10.0997 10.1261 10.1261 10.2962 10.2962 10.4086 10.4086 12.2743 12.2743 12.2794 12.2794 12.5178 12.5178 k = 0.0000 0.0000 0.2675 ( 5072 PWs) bands (ev): -31.2681 -31.2681 -31.2672 -31.2672 -12.5538 -12.5538 -12.5483 -12.5483 -12.1978 -12.1978 -12.1897 -12.1897 -12.1436 -12.1436 -12.1419 -12.1419 -0.7648 -0.7648 -0.6624 -0.6624 3.4765 3.4765 3.4928 3.4928 4.3485 4.3485 4.3688 4.3688 4.4756 4.4756 4.5062 4.5062 5.7026 5.7026 5.7097 5.7097 5.7202 5.7202 5.7512 5.7512 7.6674 7.6674 8.0851 8.0851 9.8163 9.8163 9.9961 9.9961 10.1475 10.1475 10.1525 10.1525 10.2669 10.2669 10.3539 10.3539 12.3108 12.3108 12.3241 12.3241 12.4738 12.4738 k = 0.0000 0.0000 0.2816 ( 5072 PWs) bands (ev): -31.2679 -31.2679 -31.2675 -31.2675 -12.5524 -12.5524 -12.5496 -12.5496 -12.1958 -12.1958 -12.1918 -12.1918 -12.1431 -12.1431 -12.1424 -12.1424 -0.7396 -0.7396 -0.6883 -0.6883 3.4806 3.4806 3.4887 3.4887 4.3537 4.3537 4.3639 4.3639 4.4819 4.4819 4.4973 4.4973 5.7068 5.7068 5.7156 5.7156 5.7199 5.7199 5.7407 5.7407 7.7710 7.7710 7.9802 7.9802 9.8597 9.8597 9.9497 9.9497 10.1800 10.1800 10.1970 10.1970 10.2375 10.2375 10.3003 10.3003 12.3492 12.3492 12.3712 12.3712 12.4308 12.4308 k = 0.0000 0.0000 0.2957 ( 5060 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5510 -12.5510 -12.5510 -12.5510 -12.1938 -12.1938 -12.1938 -12.1938 -12.1427 -12.1427 -12.1427 -12.1427 -0.7141 -0.7141 -0.7141 -0.7141 3.4847 3.4847 3.4847 3.4847 4.3589 4.3589 4.3589 4.3589 4.4892 4.4892 4.4892 4.4892 5.7112 5.7112 5.7112 5.7112 5.7302 5.7302 5.7302 5.7302 7.8754 7.8754 7.8754 7.8754 9.9041 9.9041 9.9041 9.9041 10.2084 10.2084 10.2084 10.2084 10.2480 10.2480 10.2480 10.2480 12.3892 12.3892 12.3892 12.3892 12.4207 12.4207 k = 0.0000 0.0000 0.2957 ( 5060 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5510 -12.5510 -12.5510 -12.5510 -12.1938 -12.1938 -12.1938 -12.1938 -12.1427 -12.1427 -12.1427 -12.1427 -0.7141 -0.7141 -0.7141 -0.7141 3.4847 3.4847 3.4847 3.4847 4.3589 4.3589 4.3589 4.3589 4.4892 4.4892 4.4892 4.4892 5.7112 5.7112 5.7112 5.7112 5.7302 5.7302 5.7302 5.7302 7.8754 7.8754 7.8754 7.8754 9.9041 9.9041 9.9041 9.9041 10.2084 10.2084 10.2084 10.2084 10.2480 10.2480 10.2480 10.2480 12.3892 12.3892 12.3892 12.3892 12.4207 12.4207 k = 0.0125 0.0072 0.2957 ( 5080 PWs) bands (ev): -31.2677 -31.2677 -31.2677 -31.2677 -12.5510 -12.5510 -12.5510 -12.5510 -12.1938 -12.1938 -12.1938 -12.1938 -12.1428 -12.1428 -12.1428 -12.1428 -0.7130 -0.7130 -0.7130 -0.7130 3.4849 3.4849 3.4849 3.4849 4.3588 4.3588 4.3588 4.3588 4.4891 4.4891 4.4891 4.4891 5.7029 5.7029 5.7029 5.7029 5.7386 5.7386 5.7386 5.7386 7.8765 7.8765 7.8765 7.8765 9.8712 9.8712 9.8712 9.8712 10.1453 10.1453 10.1453 10.1453 10.3361 10.3361 10.3361 10.3361 12.3860 12.3860 12.3860 12.3860 12.4230 12.4230 k = 0.0250 0.0144 0.2957 ( 5078 PWs) bands (ev): -31.2677 -31.2677 -31.2677 -31.2677 -12.5510 -12.5510 -12.5510 -12.5510 -12.1938 -12.1938 -12.1938 -12.1938 -12.1429 -12.1429 -12.1429 -12.1429 -0.7097 -0.7097 -0.7097 -0.7097 3.4856 3.4856 3.4856 3.4856 4.3586 4.3586 4.3586 4.3586 4.4890 4.4890 4.4890 4.4890 5.6894 5.6894 5.6894 5.6894 5.7525 5.7525 5.7525 5.7525 7.8799 7.8799 7.8799 7.8799 9.7831 9.7831 9.7831 9.7831 10.0939 10.0939 10.0939 10.0939 10.4517 10.4517 10.4517 10.4517 12.3772 12.3772 12.3772 12.3772 12.4296 12.4296 k = 0.0375 0.0217 0.2957 ( 5072 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5511 -12.5511 -12.5511 -12.5511 -12.1938 -12.1938 -12.1938 -12.1938 -12.1430 -12.1430 -12.1430 -12.1430 -0.7043 -0.7043 -0.7043 -0.7043 3.4869 3.4869 3.4869 3.4869 4.3582 4.3582 4.3582 4.3582 4.4887 4.4887 4.4887 4.4887 5.6753 5.6753 5.6753 5.6753 5.7673 5.7673 5.7673 5.7673 7.8855 7.8855 7.8855 7.8855 9.6644 9.6644 9.6644 9.6644 10.0549 10.0549 10.0549 10.0549 10.5696 10.5696 10.5696 10.5696 12.3640 12.3640 12.3640 12.3640 12.4405 12.4405 k = 0.0500 0.0289 0.2957 ( 5068 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5511 -12.5511 -12.5511 -12.5511 -12.1939 -12.1939 -12.1939 -12.1939 -12.1432 -12.1432 -12.1432 -12.1432 -0.6966 -0.6966 -0.6966 -0.6966 3.4885 3.4885 3.4885 3.4885 4.3578 4.3578 4.3578 4.3578 4.4885 4.4885 4.4885 4.4885 5.6613 5.6613 5.6613 5.6613 5.7822 5.7822 5.7822 5.7822 7.8931 7.8931 7.8931 7.8931 9.5320 9.5320 9.5320 9.5320 10.0163 10.0163 10.0163 10.0163 10.6850 10.6850 10.6850 10.6850 12.3485 12.3485 12.3485 12.3485 12.4553 12.4553 k = 0.0625 0.0361 0.2957 ( 5084 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5512 -12.5512 -12.5512 -12.5512 -12.1939 -12.1939 -12.1939 -12.1939 -12.1434 -12.1434 -12.1434 -12.1434 -0.6869 -0.6869 -0.6869 -0.6869 3.4907 3.4907 3.4907 3.4907 4.3572 4.3572 4.3572 4.3572 4.4882 4.4882 4.4882 4.4882 5.6476 5.6476 5.6476 5.6476 5.7971 5.7971 5.7971 5.7971 7.9024 7.9024 7.9024 7.9024 9.3935 9.3935 9.3935 9.3935 9.9735 9.9735 9.9735 9.9735 10.7952 10.7952 10.7952 10.7952 12.3328 12.3328 12.3328 12.3328 12.4736 12.4736 k = 0.0750 0.0433 0.2957 ( 5078 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5513 -12.5513 -12.5513 -12.5513 -12.1940 -12.1940 -12.1940 -12.1940 -12.1437 -12.1437 -12.1437 -12.1437 -0.6750 -0.6750 -0.6750 -0.6750 3.4932 3.4932 3.4932 3.4932 4.3565 4.3565 4.3565 4.3565 4.4880 4.4880 4.4880 4.4880 5.6342 5.6342 5.6342 5.6342 5.8119 5.8119 5.8119 5.8119 7.9131 7.9131 7.9131 7.9131 9.2524 9.2524 9.2524 9.2524 9.9252 9.9252 9.9252 9.9252 10.8979 10.8979 10.8979 10.8979 12.3189 12.3189 12.3189 12.3189 12.4950 12.4950 k = 0.0875 0.0505 0.2957 ( 5086 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5514 -12.5514 -12.5514 -12.5514 -12.1941 -12.1941 -12.1941 -12.1941 -12.1440 -12.1440 -12.1440 -12.1440 -0.6611 -0.6611 -0.6611 -0.6611 3.4962 3.4962 3.4962 3.4962 4.3556 4.3556 4.3556 4.3556 4.4878 4.4878 4.4878 4.4878 5.6212 5.6212 5.6212 5.6212 5.8265 5.8265 5.8265 5.8265 7.9246 7.9246 7.9246 7.9246 9.1110 9.1110 9.1110 9.1110 9.8711 9.8711 9.8711 9.8711 10.9914 10.9914 10.9914 10.9914 12.3089 12.3089 12.3089 12.3089 12.5192 12.5192 k = 0.1000 0.0577 0.2957 ( 5090 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5515 -12.5515 -12.5515 -12.5515 -12.1942 -12.1942 -12.1942 -12.1942 -12.1444 -12.1444 -12.1444 -12.1444 -0.6452 -0.6452 -0.6452 -0.6452 3.4995 3.4995 3.4995 3.4995 4.3548 4.3548 4.3548 4.3548 4.4878 4.4878 4.4878 4.4878 5.6087 5.6087 5.6087 5.6087 5.8408 5.8408 5.8408 5.8408 7.9358 7.9358 7.9358 7.9358 8.9710 8.9710 8.9710 8.9710 9.8117 9.8117 9.8117 9.8117 11.0737 11.0737 11.0737 11.0737 12.3045 12.3045 12.3045 12.3045 12.5457 12.5457 k = 0.1125 0.0650 0.2957 ( 5082 PWs) bands (ev): -31.2675 -31.2675 -31.2675 -31.2675 -12.5517 -12.5517 -12.5517 -12.5517 -12.1942 -12.1942 -12.1942 -12.1942 -12.1448 -12.1448 -12.1448 -12.1448 -0.6272 -0.6272 -0.6272 -0.6272 3.5031 3.5031 3.5031 3.5031 4.3538 4.3538 4.3538 4.3538 4.4881 4.4881 4.4881 4.4881 5.5967 5.5967 5.5967 5.5967 5.8547 5.8547 5.8547 5.8547 7.9452 7.9452 7.9452 7.9452 8.8349 8.8349 8.8349 8.8349 9.7475 9.7475 9.7475 9.7475 11.1432 11.1432 11.1432 11.1432 12.3073 12.3073 12.3073 12.3073 12.5741 12.5741 k = 0.1250 0.0722 0.2957 ( 5086 PWs) bands (ev): -31.2675 -31.2675 -31.2675 -31.2675 -12.5518 -12.5518 -12.5518 -12.5518 -12.1943 -12.1943 -12.1943 -12.1943 -12.1453 -12.1453 -12.1453 -12.1453 -0.6074 -0.6074 -0.6074 -0.6074 3.5071 3.5071 3.5071 3.5071 4.3527 4.3527 4.3527 4.3527 4.4886 4.4886 4.4886 4.4886 5.5852 5.5852 5.5852 5.5852 5.8683 5.8683 5.8683 5.8683 7.9499 7.9499 7.9499 7.9499 8.7059 8.7059 8.7059 8.7059 9.6790 9.6790 9.6790 9.6790 11.1984 11.1984 11.1984 11.1984 12.3181 12.3181 12.3181 12.3181 12.6041 12.6041 k = 0.1375 0.0794 0.2957 ( 5094 PWs) bands (ev): -31.2675 -31.2675 -31.2675 -31.2675 -12.5520 -12.5520 -12.5520 -12.5520 -12.1945 -12.1945 -12.1945 -12.1945 -12.1458 -12.1458 -12.1458 -12.1458 -0.5857 -0.5857 -0.5857 -0.5857 3.5113 3.5113 3.5113 3.5113 4.3516 4.3516 4.3516 4.3516 4.4896 4.4896 4.4896 4.4896 5.5743 5.5743 5.5743 5.5743 5.8814 5.8814 5.8814 5.8814 7.9452 7.9452 7.9452 7.9452 8.5891 8.5891 8.5891 8.5891 9.6069 9.6069 9.6069 9.6069 11.2387 11.2387 11.2387 11.2387 12.3368 12.3368 12.3368 12.3368 12.6353 12.6353 k = 0.1500 0.0866 0.2957 ( 5098 PWs) bands (ev): -31.2674 -31.2674 -31.2674 -31.2674 -12.5522 -12.5522 -12.5522 -12.5522 -12.1946 -12.1946 -12.1946 -12.1946 -12.1463 -12.1463 -12.1463 -12.1463 -0.5623 -0.5623 -0.5623 -0.5623 3.5158 3.5158 3.5158 3.5158 4.3504 4.3504 4.3504 4.3504 4.4910 4.4910 4.4910 4.4910 5.5639 5.5639 5.5639 5.5639 5.8941 5.8941 5.8941 5.8941 7.9236 7.9236 7.9236 7.9236 8.4923 8.4923 8.4923 8.4923 9.5318 9.5318 9.5318 9.5318 11.2643 11.2643 11.2643 11.2643 12.3621 12.3621 12.3621 12.3621 12.6675 12.6675 k = 0.1625 0.0938 0.2957 ( 5106 PWs) bands (ev): -31.2674 -31.2674 -31.2674 -31.2674 -12.5524 -12.5524 -12.5524 -12.5524 -12.1947 -12.1947 -12.1947 -12.1947 -12.1468 -12.1468 -12.1468 -12.1468 -0.5372 -0.5372 -0.5372 -0.5372 3.5205 3.5205 3.5205 3.5205 4.3490 4.3490 4.3490 4.3490 4.4929 4.4929 4.4929 4.4929 5.5542 5.5542 5.5542 5.5542 5.9062 5.9062 5.9062 5.9062 7.8768 7.8768 7.8768 7.8768 8.4242 8.4242 8.4242 8.4242 9.4543 9.4543 9.4543 9.4543 11.2763 11.2763 11.2763 11.2763 12.3913 12.3913 12.3913 12.3913 12.7004 12.7004 k = 0.1750 0.1010 0.2957 ( 5100 PWs) bands (ev): -31.2674 -31.2674 -31.2674 -31.2674 -12.5526 -12.5526 -12.5526 -12.5526 -12.1948 -12.1948 -12.1948 -12.1948 -12.1474 -12.1474 -12.1474 -12.1474 -0.5105 -0.5105 -0.5105 -0.5105 3.5254 3.5254 3.5254 3.5254 4.3476 4.3476 4.3476 4.3476 4.4954 4.4954 4.4954 4.4954 5.5450 5.5450 5.5450 5.5450 5.9177 5.9177 5.9177 5.9177 7.8014 7.8014 7.8014 7.8014 8.3884 8.3884 8.3884 8.3884 9.3748 9.3748 9.3748 9.3748 11.2764 11.2764 11.2764 11.2764 12.4204 12.4204 12.4204 12.4204 12.7339 12.7339 k = 0.1875 0.1083 0.2957 ( 5104 PWs) bands (ev): -31.2673 -31.2673 -31.2673 -31.2673 -12.5528 -12.5528 -12.5528 -12.5528 -12.1950 -12.1950 -12.1950 -12.1950 -12.1480 -12.1480 -12.1480 -12.1480 -0.4824 -0.4824 -0.4824 -0.4824 3.5305 3.5305 3.5305 3.5305 4.3459 4.3459 4.3459 4.3459 4.4986 4.4986 4.4986 4.4986 5.5363 5.5363 5.5363 5.5363 5.9286 5.9286 5.9286 5.9286 7.7028 7.7028 7.7028 7.7028 8.3798 8.3798 8.3798 8.3798 9.2939 9.2939 9.2939 9.2939 11.2664 11.2664 11.2664 11.2664 12.4450 12.4450 12.4450 12.4450 12.7681 12.7681 k = 0.2000 0.1155 0.2957 ( 5110 PWs) bands (ev): -31.2673 -31.2673 -31.2673 -31.2673 -12.5530 -12.5530 -12.5530 -12.5530 -12.1951 -12.1951 -12.1951 -12.1951 -12.1486 -12.1486 -12.1486 -12.1486 -0.4528 -0.4528 -0.4528 -0.4528 3.5359 3.5359 3.5359 3.5359 4.3441 4.3441 4.3441 4.3441 4.5024 4.5024 4.5024 4.5024 5.5283 5.5283 5.5283 5.5283 5.9388 5.9388 5.9388 5.9388 7.5895 7.5895 7.5895 7.5895 8.3900 8.3900 8.3900 8.3900 9.2121 9.2121 9.2121 9.2121 11.2485 11.2485 11.2485 11.2485 12.4611 12.4611 12.4611 12.4611 12.8032 12.8032 k = 0.2125 0.1227 0.2957 ( 5104 PWs) bands (ev): -31.2673 -31.2673 -31.2673 -31.2673 -12.5532 -12.5532 -12.5532 -12.5532 -12.1953 -12.1953 -12.1953 -12.1953 -12.1492 -12.1492 -12.1492 -12.1492 -0.4221 -0.4221 -0.4221 -0.4221 3.5415 3.5415 3.5415 3.5415 4.3421 4.3421 4.3421 4.3421 4.5069 4.5069 4.5069 4.5069 5.5208 5.5208 5.5208 5.5208 5.9482 5.9482 5.9482 5.9482 7.4685 7.4685 7.4685 7.4685 8.4123 8.4123 8.4123 8.4123 9.1298 9.1298 9.1298 9.1298 11.2243 11.2243 11.2243 11.2243 12.4665 12.4665 12.4665 12.4665 12.8397 12.8397 k = 0.2250 0.1299 0.2957 ( 5100 PWs) bands (ev): -31.2672 -31.2672 -31.2672 -31.2672 -12.5534 -12.5534 -12.5534 -12.5534 -12.1954 -12.1954 -12.1954 -12.1954 -12.1498 -12.1498 -12.1498 -12.1498 -0.3903 -0.3903 -0.3903 -0.3903 3.5474 3.5474 3.5474 3.5474 4.3399 4.3399 4.3399 4.3399 4.5121 4.5121 4.5121 4.5121 5.5139 5.5139 5.5139 5.5139 5.9568 5.9568 5.9568 5.9568 7.3443 7.3443 7.3443 7.3443 8.4424 8.4424 8.4424 8.4424 9.0475 9.0475 9.0475 9.0475 11.1954 11.1954 11.1954 11.1954 12.4613 12.4613 12.4613 12.4613 12.8773 12.8773 k = 0.2375 0.1371 0.2957 ( 5100 PWs) bands (ev): -31.2672 -31.2672 -31.2672 -31.2672 -12.5536 -12.5536 -12.5536 -12.5536 -12.1956 -12.1956 -12.1956 -12.1956 -12.1504 -12.1504 -12.1504 -12.1504 -0.3575 -0.3575 -0.3575 -0.3575 3.5537 3.5537 3.5537 3.5537 4.3374 4.3374 4.3374 4.3374 4.5178 4.5178 4.5178 4.5178 5.5075 5.5075 5.5075 5.5075 5.9645 5.9645 5.9645 5.9645 7.2197 7.2197 7.2197 7.2197 8.4778 8.4778 8.4778 8.4778 8.9657 8.9657 8.9657 8.9657 11.1630 11.1630 11.1630 11.1630 12.4471 12.4471 12.4471 12.4471 12.9160 12.9160 k = 0.2500 0.1443 0.2957 ( 5100 PWs) bands (ev): -31.2671 -31.2671 -31.2671 -31.2671 -12.5539 -12.5539 -12.5539 -12.5539 -12.1957 -12.1957 -12.1957 -12.1957 -12.1510 -12.1510 -12.1510 -12.1510 -0.3239 -0.3239 -0.3239 -0.3239 3.5604 3.5604 3.5604 3.5604 4.3346 4.3346 4.3346 4.3346 4.5239 4.5239 4.5239 4.5239 5.5017 5.5017 5.5017 5.5017 5.9712 5.9712 5.9712 5.9712 7.0963 7.0963 7.0963 7.0963 8.5166 8.5166 8.5166 8.5166 8.8852 8.8852 8.8852 8.8852 11.1281 11.1281 11.1281 11.1281 12.4261 12.4261 12.4261 12.4261 12.9551 12.9551 k = 0.2625 0.1516 0.2957 ( 5092 PWs) bands (ev): -31.2671 -31.2671 -31.2671 -31.2671 -12.5541 -12.5541 -12.5541 -12.5541 -12.1959 -12.1959 -12.1959 -12.1959 -12.1516 -12.1516 -12.1516 -12.1516 -0.2898 -0.2898 -0.2898 -0.2898 3.5675 3.5675 3.5675 3.5675 4.3314 4.3314 4.3314 4.3314 4.5303 4.5303 4.5303 4.5303 5.4964 5.4964 5.4964 5.4964 5.9768 5.9768 5.9768 5.9768 6.9757 6.9757 6.9757 6.9757 8.5569 8.5569 8.5569 8.5569 8.8071 8.8071 8.8071 8.8071 11.0916 11.0916 11.0916 11.0916 12.4001 12.4001 12.4001 12.4001 12.9946 12.9946 k = 0.2750 0.1588 0.2957 ( 5088 PWs) bands (ev): -31.2670 -31.2670 -31.2670 -31.2670 -12.5543 -12.5543 -12.5543 -12.5543 -12.1960 -12.1960 -12.1960 -12.1960 -12.1522 -12.1522 -12.1522 -12.1522 -0.2553 -0.2553 -0.2553 -0.2553 3.5753 3.5753 3.5753 3.5753 4.3279 4.3279 4.3279 4.3279 4.5369 4.5369 4.5369 4.5369 5.4916 5.4916 5.4916 5.4916 5.9809 5.9809 5.9809 5.9809 6.8589 6.8589 6.8589 6.8589 8.5939 8.5939 8.5939 8.5939 8.7360 8.7360 8.7360 8.7360 11.0542 11.0542 11.0542 11.0542 12.3706 12.3706 12.3706 12.3706 13.0341 13.0341 k = 0.2875 0.1660 0.2957 ( 5088 PWs) bands (ev): -31.2670 -31.2670 -31.2670 -31.2670 -12.5545 -12.5545 -12.5545 -12.5545 -12.1962 -12.1962 -12.1962 -12.1962 -12.1528 -12.1528 -12.1528 -12.1528 -0.2205 -0.2205 -0.2205 -0.2205 3.5837 3.5837 3.5837 3.5837 4.3239 4.3239 4.3239 4.3239 4.5433 4.5433 4.5433 4.5433 5.4873 5.4873 5.4873 5.4873 5.9833 5.9833 5.9833 5.9833 6.7470 6.7470 6.7470 6.7470 8.6011 8.6011 8.6011 8.6011 8.6980 8.6980 8.6980 8.6980 11.0164 11.0164 11.0164 11.0164 12.3386 12.3386 12.3386 12.3386 13.0736 13.0736 k = 0.3000 0.1732 0.2957 ( 5094 PWs) bands (ev): -31.2669 -31.2669 -31.2669 -31.2669 -12.5548 -12.5548 -12.5548 -12.5548 -12.1964 -12.1964 -12.1964 -12.1964 -12.1534 -12.1534 -12.1534 -12.1534 -0.1858 -0.1858 -0.1858 -0.1858 3.5928 3.5928 3.5928 3.5928 4.3195 4.3195 4.3195 4.3195 4.5494 4.5494 4.5494 4.5494 5.4836 5.4836 5.4836 5.4836 5.9836 5.9836 5.9836 5.9836 6.6411 6.6411 6.6411 6.6411 8.5490 8.5490 8.5490 8.5490 8.7225 8.7225 8.7225 8.7225 10.9788 10.9788 10.9788 10.9788 12.3047 12.3047 12.3047 12.3047 13.1129 13.1129 k = 0.3125 0.1804 0.2957 ( 5090 PWs) bands (ev): -31.2669 -31.2669 -31.2669 -31.2669 -12.5550 -12.5550 -12.5550 -12.5550 -12.1966 -12.1966 -12.1966 -12.1966 -12.1540 -12.1540 -12.1540 -12.1540 -0.1513 -0.1513 -0.1513 -0.1513 3.6029 3.6029 3.6029 3.6029 4.3145 4.3145 4.3145 4.3145 4.5549 4.5549 4.5549 4.5549 5.4803 5.4803 5.4803 5.4803 5.9810 5.9810 5.9810 5.9810 6.5426 6.5426 6.5426 6.5426 8.4807 8.4807 8.4807 8.4807 8.7662 8.7662 8.7662 8.7662 10.9418 10.9418 10.9418 10.9418 12.2694 12.2694 12.2694 12.2694 13.1520 13.1520 k = 0.3250 0.1876 0.2957 ( 5086 PWs) bands (ev): -31.2669 -31.2669 -31.2669 -31.2669 -12.5552 -12.5552 -12.5552 -12.5552 -12.1967 -12.1967 -12.1967 -12.1967 -12.1545 -12.1545 -12.1545 -12.1545 -0.1173 -0.1173 -0.1173 -0.1173 3.6138 3.6138 3.6138 3.6138 4.3089 4.3089 4.3089 4.3089 4.5596 4.5596 4.5596 4.5596 5.4774 5.4774 5.4774 5.4774 5.9747 5.9747 5.9747 5.9747 6.4531 6.4531 6.4531 6.4531 8.4115 8.4115 8.4115 8.4115 8.8139 8.8139 8.8139 8.8139 10.9057 10.9057 10.9057 10.9057 12.2330 12.2330 12.2330 12.2330 13.1907 13.1907 k = 0.3375 0.1949 0.2957 ( 5084 PWs) bands (ev): -31.2668 -31.2668 -31.2668 -31.2668 -12.5554 -12.5554 -12.5554 -12.5554 -12.1969 -12.1969 -12.1969 -12.1969 -12.1550 -12.1550 -12.1550 -12.1550 -0.0840 -0.0840 -0.0840 -0.0840 3.6259 3.6259 3.6259 3.6259 4.3025 4.3025 4.3025 4.3025 4.5630 4.5630 4.5630 4.5630 5.4750 5.4750 5.4750 5.4750 5.9632 5.9632 5.9632 5.9632 6.3743 6.3743 6.3743 6.3743 8.3440 8.3440 8.3440 8.3440 8.8629 8.8629 8.8629 8.8629 10.8708 10.8708 10.8708 10.8708 12.1960 12.1960 12.1960 12.1960 13.2289 13.2289 k = 0.3500 0.2021 0.2957 ( 5080 PWs) bands (ev): -31.2668 -31.2668 -31.2668 -31.2668 -12.5556 -12.5556 -12.5556 -12.5556 -12.1970 -12.1970 -12.1970 -12.1970 -12.1555 -12.1555 -12.1555 -12.1555 -0.0517 -0.0517 -0.0517 -0.0517 3.6390 3.6390 3.6390 3.6390 4.2953 4.2953 4.2953 4.2953 4.5651 4.5651 4.5651 4.5651 5.4731 5.4731 5.4731 5.4731 5.9451 5.9451 5.9451 5.9451 6.3084 6.3084 6.3084 6.3084 8.2792 8.2792 8.2792 8.2792 8.9120 8.9120 8.9120 8.9120 10.8374 10.8374 10.8374 10.8374 12.1585 12.1585 12.1585 12.1585 13.2665 13.2665 k = 0.3625 0.2093 0.2957 ( 5076 PWs) bands (ev): -31.2667 -31.2667 -31.2667 -31.2667 -12.5558 -12.5558 -12.5558 -12.5558 -12.1971 -12.1971 -12.1971 -12.1971 -12.1559 -12.1559 -12.1559 -12.1559 -0.0207 -0.0207 -0.0207 -0.0207 3.6533 3.6533 3.6533 3.6533 4.2872 4.2872 4.2872 4.2872 4.5656 4.5656 4.5656 4.5656 5.4715 5.4715 5.4715 5.4715 5.9196 5.9196 5.9196 5.9196 6.2566 6.2566 6.2566 6.2566 8.2177 8.2177 8.2177 8.2177 8.9604 8.9604 8.9604 8.9604 10.8057 10.8057 10.8057 10.8057 12.1211 12.1211 12.1211 12.1211 13.3031 13.3031 k = 0.3750 0.2165 0.2957 ( 5082 PWs) bands (ev): -31.2667 -31.2667 -31.2667 -31.2667 -12.5560 -12.5560 -12.5560 -12.5560 -12.1973 -12.1973 -12.1973 -12.1973 -12.1564 -12.1564 -12.1564 -12.1564 0.0088 0.0088 0.0088 0.0088 3.6687 3.6687 3.6687 3.6687 4.2779 4.2779 4.2779 4.2779 4.5645 4.5645 4.5645 4.5645 5.4703 5.4703 5.4703 5.4703 5.8872 5.8872 5.8872 5.8872 6.2188 6.2188 6.2188 6.2188 8.1598 8.1598 8.1598 8.1598 9.0077 9.0077 9.0077 9.0077 10.7759 10.7759 10.7759 10.7759 12.0841 12.0841 12.0841 12.0841 13.3385 13.3385 k = 0.3875 0.2237 0.2957 ( 5084 PWs) bands (ev): -31.2667 -31.2667 -31.2667 -31.2667 -12.5561 -12.5561 -12.5561 -12.5561 -12.1974 -12.1974 -12.1974 -12.1974 -12.1568 -12.1568 -12.1568 -12.1568 0.0365 0.0365 0.0365 0.0365 3.6851 3.6851 3.6851 3.6851 4.2675 4.2675 4.2675 4.2675 4.5618 4.5618 4.5618 4.5618 5.4694 5.4694 5.4694 5.4694 5.8504 5.8504 5.8504 5.8504 6.1928 6.1928 6.1928 6.1928 8.1061 8.1061 8.1061 8.1061 9.0533 9.0533 9.0533 9.0533 10.7481 10.7481 10.7481 10.7481 12.0479 12.0479 12.0479 12.0479 13.3725 13.3726 k = 0.4000 0.2309 0.2957 ( 5084 PWs) bands (ev): -31.2667 -31.2667 -31.2667 -31.2667 -12.5563 -12.5563 -12.5563 -12.5563 -12.1976 -12.1976 -12.1976 -12.1976 -12.1571 -12.1571 -12.1571 -12.1571 0.0622 0.0622 0.0622 0.0622 3.7026 3.7026 3.7026 3.7026 4.2558 4.2558 4.2558 4.2558 4.5578 4.5578 4.5578 4.5578 5.4688 5.4688 5.4688 5.4688 5.8125 5.8125 5.8125 5.8125 6.1756 6.1756 6.1756 6.1756 8.0569 8.0569 8.0569 8.0569 9.0965 9.0965 9.0965 9.0965 10.7226 10.7226 10.7226 10.7226 12.0133 12.0133 12.0133 12.0133 13.4048 13.4048 k = 0.4125 0.2382 0.2957 ( 5092 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5564 -12.5564 -12.5564 -12.5564 -12.1977 -12.1977 -12.1977 -12.1977 -12.1574 -12.1574 -12.1574 -12.1574 0.0856 0.0856 0.0856 0.0856 3.7207 3.7207 3.7207 3.7207 4.2428 4.2428 4.2428 4.2428 4.5527 4.5527 4.5527 4.5527 5.4684 5.4684 5.4684 5.4684 5.7763 5.7763 5.7763 5.7763 6.1642 6.1642 6.1642 6.1642 8.0124 8.0124 8.0124 8.0124 9.1367 9.1367 9.1367 9.1367 10.6995 10.6995 10.6995 10.6995 11.9807 11.9807 11.9807 11.9807 13.4348 13.4348 k = 0.4250 0.2454 0.2957 ( 5090 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5566 -12.5566 -12.5566 -12.5566 -12.1978 -12.1978 -12.1978 -12.1978 -12.1577 -12.1577 -12.1577 -12.1577 0.1064 0.1064 0.1064 0.1064 3.7393 3.7393 3.7393 3.7393 4.2288 4.2288 4.2288 4.2288 4.5469 4.5469 4.5469 4.5469 5.4682 5.4682 5.4682 5.4682 5.7436 5.7436 5.7436 5.7436 6.1568 6.1568 6.1568 6.1568 7.9731 7.9731 7.9731 7.9731 9.1734 9.1734 9.1734 9.1734 10.6790 10.6790 10.6790 10.6790 11.9507 11.9507 11.9507 11.9507 13.4622 13.4622 k = 0.4375 0.2526 0.2957 ( 5090 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5567 -12.5567 -12.5567 -12.5567 -12.1978 -12.1978 -12.1978 -12.1978 -12.1579 -12.1579 -12.1579 -12.1579 0.1244 0.1244 0.1244 0.1244 3.7576 3.7576 3.7576 3.7576 4.2142 4.2142 4.2142 4.2142 4.5410 4.5410 4.5410 4.5410 5.4681 5.4681 5.4681 5.4681 5.7156 5.7156 5.7156 5.7156 6.1519 6.1519 6.1519 6.1519 7.9392 7.9392 7.9392 7.9392 9.2058 9.2058 9.2058 9.2058 10.6613 10.6613 10.6613 10.6613 11.9240 11.9240 11.9240 11.9240 13.4865 13.4865 k = 0.4500 0.2598 0.2957 ( 5086 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5567 -12.5567 -12.5567 -12.5567 -12.1979 -12.1979 -12.1979 -12.1979 -12.1581 -12.1581 -12.1581 -12.1581 0.1394 0.1394 0.1394 0.1394 3.7751 3.7751 3.7751 3.7751 4.1996 4.1996 4.1996 4.1996 4.5355 4.5355 4.5355 4.5355 5.4680 5.4680 5.4680 5.4680 5.6927 5.6927 5.6927 5.6927 6.1488 6.1488 6.1488 6.1488 7.9111 7.9111 7.9111 7.9111 9.2334 9.2334 9.2334 9.2334 10.6465 10.6465 10.6465 10.6465 11.9012 11.9012 11.9012 11.9012 13.5071 13.5072 k = 0.4625 0.2670 0.2957 ( 5082 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5568 -12.5568 -12.5568 -12.5568 -12.1980 -12.1980 -12.1980 -12.1980 -12.1583 -12.1583 -12.1583 -12.1583 0.1513 0.1513 0.1513 0.1513 3.7907 3.7907 3.7907 3.7907 4.1861 4.1861 4.1861 4.1861 4.5307 4.5307 4.5307 4.5307 5.4680 5.4680 5.4680 5.4680 5.6750 5.6750 5.6750 5.6750 6.1467 6.1467 6.1467 6.1467 7.8890 7.8890 7.8890 7.8890 9.2555 9.2555 9.2555 9.2555 10.6348 10.6348 10.6348 10.6348 11.8829 11.8829 11.8829 11.8829 13.5237 13.5238 k = 0.4750 0.2742 0.2957 ( 5094 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5569 -12.5569 -12.5569 -12.5569 -12.1980 -12.1980 -12.1980 -12.1980 -12.1584 -12.1584 -12.1584 -12.1584 0.1599 0.1599 0.1599 0.1599 3.8032 3.8032 3.8032 3.8032 4.1749 4.1749 4.1749 4.1749 4.5271 4.5271 4.5271 4.5271 5.4680 5.4680 5.4680 5.4680 5.6626 5.6626 5.6626 5.6626 6.1454 6.1454 6.1454 6.1454 7.8730 7.8730 7.8730 7.8730 9.2717 9.2717 9.2717 9.2717 10.6263 10.6263 10.6263 10.6263 11.8694 11.8694 11.8694 11.8694 13.5359 13.5364 k = 0.4875 0.2815 0.2957 ( 5088 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5569 -12.5569 -12.5569 -12.5569 -12.1980 -12.1980 -12.1980 -12.1980 -12.1585 -12.1585 -12.1585 -12.1585 0.1651 0.1651 0.1651 0.1651 3.8114 3.8114 3.8114 3.8114 4.1675 4.1675 4.1675 4.1675 4.5248 4.5248 4.5248 4.5248 5.4679 5.4679 5.4679 5.4679 5.6552 5.6552 5.6552 5.6552 6.1448 6.1448 6.1448 6.1448 7.8633 7.8633 7.8633 7.8633 9.2816 9.2816 9.2816 9.2816 10.6211 10.6211 10.6211 10.6211 11.8611 11.8611 11.8611 11.8611 13.5431 13.5434 k = 0.5000 0.2887 0.2957 ( 5088 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5569 -12.5569 -12.5569 -12.5569 -12.1980 -12.1980 -12.1980 -12.1980 -12.1585 -12.1585 -12.1585 -12.1585 0.1669 0.1669 0.1669 0.1669 3.8143 3.8143 3.8143 3.8143 4.1649 4.1649 4.1649 4.1649 4.5240 4.5240 4.5240 4.5240 5.4679 5.4679 5.4679 5.4679 5.6528 5.6528 5.6528 5.6528 6.1446 6.1446 6.1446 6.1446 7.8601 7.8601 7.8601 7.8601 9.2850 9.2850 9.2850 9.2850 10.6194 10.6194 10.6194 10.6194 11.8584 11.8584 11.8584 11.8584 13.5456 13.5465 k = 0.5000 0.2887 0.2957 ( 5088 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5569 -12.5569 -12.5569 -12.5569 -12.1980 -12.1980 -12.1980 -12.1980 -12.1585 -12.1585 -12.1585 -12.1585 0.1669 0.1669 0.1669 0.1669 3.8143 3.8143 3.8143 3.8143 4.1649 4.1649 4.1649 4.1649 4.5240 4.5240 4.5240 4.5240 5.4679 5.4679 5.4679 5.4679 5.6528 5.6528 5.6528 5.6528 6.1446 6.1446 6.1446 6.1446 7.8601 7.8601 7.8601 7.8601 9.2850 9.2850 9.2850 9.2850 10.6194 10.6194 10.6194 10.6194 11.8584 11.8584 11.8584 11.8584 13.5458 13.5473 k = 0.4928 0.3012 0.2957 ( 5086 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5569 -12.5569 -12.5569 -12.5569 -12.1980 -12.1980 -12.1980 -12.1980 -12.1585 -12.1585 -12.1585 -12.1585 0.1673 0.1673 0.1675 0.1675 3.8103 3.8103 3.8177 3.8177 4.1482 4.1482 4.1839 4.1839 4.5145 4.5145 4.5338 4.5338 5.4599 5.4599 5.4750 5.4750 5.6520 5.6520 5.6548 5.6548 6.1396 6.1396 6.1489 6.1489 7.8369 7.8369 7.8680 7.8680 9.2828 9.2828 9.2894 9.2894 10.6183 10.6183 10.6262 10.6262 11.8613 11.8613 11.8685 11.8685 13.5427 13.5449 k = 0.4855 0.3138 0.2957 ( 5086 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5570 -12.5570 -12.5568 -12.5568 -12.1980 -12.1980 -12.1980 -12.1980 -12.1586 -12.1586 -12.1585 -12.1585 0.1688 0.1688 0.1691 0.1691 3.8059 3.8059 3.8204 3.8204 4.1339 4.1339 4.2051 4.2051 4.5054 4.5054 4.5438 4.5438 5.4512 5.4512 5.4811 5.4811 5.6526 5.6526 5.6581 5.6581 6.1342 6.1342 6.1528 6.1528 7.7992 7.7992 7.8604 7.8604 9.2830 9.2830 9.2963 9.2963 10.6229 10.6229 10.6381 10.6381 11.8774 11.8774 11.8916 11.8916 13.5346 13.5411 k = 0.4783 0.3263 0.2957 ( 5086 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5570 -12.5570 -12.5568 -12.5568 -12.1980 -12.1980 -12.1980 -12.1980 -12.1588 -12.1588 -12.1585 -12.1585 0.1713 0.1713 0.1718 0.1718 3.8012 3.8012 3.8223 3.8223 4.1221 4.1221 4.2284 4.2284 4.4968 4.4968 4.5539 4.5539 5.4420 5.4420 5.4858 5.4858 5.6545 5.6545 5.6626 5.6626 6.1281 6.1281 6.1562 6.1562 7.7483 7.7483 7.8378 7.8378 9.2852 9.2852 9.3053 9.3053 10.6328 10.6328 10.6541 10.6541 11.9067 11.9067 11.9275 11.9275 13.5202 13.5282 k = 0.4710 0.3389 0.2957 ( 5086 PWs) bands (ev): -31.2666 -31.2666 -31.2665 -31.2665 -12.5571 -12.5571 -12.5568 -12.5568 -12.1980 -12.1980 -12.1979 -12.1979 -12.1589 -12.1589 -12.1585 -12.1585 0.1747 0.1747 0.1754 0.1754 3.7963 3.7963 3.8234 3.8234 4.1125 4.1125 4.2536 4.2536 4.4887 4.4887 4.5639 4.5639 5.4325 5.4325 5.4892 5.4892 5.6577 5.6577 5.6685 5.6685 6.1215 6.1215 6.1591 6.1591 7.6858 7.6858 7.8014 7.8014 9.2894 9.2894 9.3164 9.3164 10.6470 10.6470 10.6730 10.6730 11.9489 11.9489 11.9758 11.9758 13.5058 13.5136 k = 0.4638 0.3514 0.2957 ( 5082 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5571 -12.5571 -12.5568 -12.5568 -12.1980 -12.1980 -12.1979 -12.1979 -12.1591 -12.1591 -12.1586 -12.1586 0.1791 0.1791 0.1800 0.1800 3.7914 3.7914 3.8238 3.8238 4.1052 4.1052 4.2803 4.2803 4.4814 4.4814 4.5738 4.5738 5.4228 5.4228 5.4912 5.4912 5.6622 5.6622 5.6757 5.6757 6.1144 6.1144 6.1616 6.1616 7.6136 7.6136 7.7525 7.7525 9.2952 9.2952 9.3293 9.3293 10.6642 10.6642 10.6934 10.6934 12.0040 12.0040 12.0359 12.0359 13.4890 13.4933 k = 0.4565 0.3640 0.2957 ( 5086 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5572 -12.5572 -12.5568 -12.5568 -12.1979 -12.1979 -12.1978 -12.1978 -12.1593 -12.1593 -12.1588 -12.1588 0.1844 0.1844 0.1855 0.1855 3.7866 3.7866 3.8237 3.8237 4.0997 4.0997 4.3084 4.3084 4.4749 4.4749 4.5834 4.5834 5.4131 5.4131 5.4916 5.4916 5.6680 5.6680 5.6845 5.6845 6.1067 6.1067 6.1636 6.1636 7.5335 7.5335 7.6929 7.6929 9.3025 9.3025 9.3437 9.3437 10.6831 10.6831 10.7143 10.7143 12.0712 12.0712 12.1069 12.1069 13.4708 13.4713 k = 0.4493 0.3765 0.2957 ( 5078 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5572 -12.5572 -12.5568 -12.5568 -12.1979 -12.1979 -12.1977 -12.1977 -12.1595 -12.1595 -12.1589 -12.1589 0.1905 0.1905 0.1918 0.1918 3.7821 3.7821 3.8232 3.8232 4.0959 4.0959 4.3373 4.3373 4.4695 4.4695 4.5926 4.5926 5.4035 5.4035 5.4907 5.4907 5.6749 5.6749 5.6950 5.6950 6.0986 6.0986 6.1653 6.1653 7.4474 7.4474 7.6244 7.6244 9.3111 9.3111 9.3593 9.3593 10.7026 10.7026 10.7347 10.7347 12.1498 12.1498 12.1876 12.1876 13.4472 13.4485 k = 0.4420 0.3891 0.2957 ( 5070 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5573 -12.5573 -12.5568 -12.5568 -12.1978 -12.1978 -12.1976 -12.1976 -12.1597 -12.1597 -12.1590 -12.1590 0.1974 0.1974 0.1988 0.1988 3.7779 3.7779 3.8226 3.8226 4.0933 4.0933 4.3662 4.3662 4.4659 4.4659 4.6011 4.6011 5.3941 5.3941 5.4885 5.4885 5.6827 5.6827 5.7074 5.7074 6.0899 6.0899 6.1667 6.1667 7.3570 7.3570 7.5487 7.5487 9.3209 9.3209 9.3761 9.3761 10.7216 10.7216 10.7539 10.7539 12.2386 12.2386 12.2764 12.2764 13.4214 13.4274 k = 0.4348 0.4016 0.2957 ( 5078 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5573 -12.5573 -12.5568 -12.5568 -12.1978 -12.1978 -12.1976 -12.1976 -12.1600 -12.1600 -12.1592 -12.1592 0.2048 0.2048 0.2065 0.2065 3.7742 3.7742 3.8222 3.8222 4.0916 4.0916 4.3933 4.3933 4.4658 4.4658 4.6090 4.6090 5.3851 5.3851 5.4851 5.4851 5.6913 5.6913 5.7218 5.7218 6.0808 6.0808 6.1678 6.1678 7.2640 7.2640 7.4675 7.4675 9.3316 9.3316 9.3937 9.3937 10.7394 10.7394 10.7717 10.7717 12.3361 12.3361 12.3717 12.3717 13.3950 13.3964 k = 0.4275 0.4142 0.2957 ( 5078 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5574 -12.5574 -12.5568 -12.5568 -12.1977 -12.1977 -12.1975 -12.1975 -12.1603 -12.1603 -12.1594 -12.1594 0.2128 0.2128 0.2147 0.2147 3.7710 3.7710 3.8221 3.8221 4.0903 4.0903 4.4141 4.4141 4.4732 4.4732 4.6159 4.6159 5.3765 5.3765 5.4807 5.4807 5.7006 5.7006 5.7385 5.7385 6.0712 6.0712 6.1687 6.1687 7.1697 7.1697 7.3822 7.3822 9.3431 9.3431 9.4119 9.4119 10.7556 10.7556 10.7877 10.7877 12.4405 12.4405 12.4713 12.4713 13.3683 13.3692 k = 0.4203 0.4267 0.2957 ( 5078 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5575 -12.5575 -12.5568 -12.5568 -12.1977 -12.1977 -12.1974 -12.1974 -12.1605 -12.1605 -12.1596 -12.1596 0.2212 0.2212 0.2233 0.2233 3.7683 3.7683 3.8227 3.8227 4.0892 4.0892 4.4241 4.4241 4.4924 4.4924 4.6220 4.6220 5.3684 5.3684 5.4754 5.4754 5.7104 5.7104 5.7576 5.7576 6.0614 6.0614 6.1694 6.1694 7.0756 7.0756 7.2942 7.2942 9.3553 9.3553 9.4306 9.4306 10.7700 10.7700 10.8020 10.8020 12.5496 12.5496 12.5731 12.5731 13.3415 13.3441 k = 0.4130 0.4393 0.2957 ( 5076 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5575 -12.5575 -12.5568 -12.5568 -12.1976 -12.1976 -12.1973 -12.1973 -12.1608 -12.1608 -12.1598 -12.1598 0.2299 0.2299 0.2322 0.2322 3.7662 3.7662 3.8240 3.8240 4.0878 4.0878 4.4268 4.4268 4.5196 4.5196 4.6270 4.6270 5.3609 5.3609 5.4693 5.4693 5.7205 5.7205 5.7793 5.7793 6.0513 6.0513 6.1700 6.1700 6.9830 6.9830 7.2047 7.2047 9.3679 9.3679 9.4494 9.4494 10.7823 10.7823 10.8145 10.8145 12.6610 12.6610 12.6744 12.6744 13.3154 13.3161 k = 0.4058 0.4518 0.2957 ( 5086 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5576 -12.5576 -12.5568 -12.5568 -12.1975 -12.1975 -12.1973 -12.1973 -12.1611 -12.1611 -12.1600 -12.1600 0.2387 0.2387 0.2413 0.2413 3.7646 3.7646 3.8264 3.8264 4.0859 4.0859 4.4268 4.4268 4.5497 4.5497 4.6310 4.6310 5.3541 5.3541 5.4626 5.4626 5.7308 5.7308 5.8037 5.8037 6.0410 6.0410 6.1705 6.1705 6.8930 6.8930 7.1147 7.1147 9.3808 9.3808 9.4683 9.4683 10.7926 10.7926 10.8252 10.8252 12.7718 12.7718 12.7726 12.7726 13.2905 13.2907 k = 0.3986 0.4644 0.2957 ( 5094 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5577 -12.5577 -12.5569 -12.5569 -12.1975 -12.1975 -12.1972 -12.1972 -12.1614 -12.1614 -12.1603 -12.1603 0.2475 0.2475 0.2503 0.2503 3.7637 3.7637 3.8297 3.8297 4.0833 4.0833 4.4260 4.4260 4.5803 4.5803 4.6339 4.6339 5.3479 5.3479 5.4555 5.4555 5.7411 5.7411 5.8309 5.8309 6.0307 6.0307 6.1713 6.1713 6.8068 6.8068 7.0251 7.0251 9.3938 9.3938 9.4869 9.4869 10.8009 10.8009 10.8343 10.8343 12.8650 12.8650 12.8790 12.8790 13.2675 13.2676 k = 0.3913 0.4769 0.2957 ( 5090 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5577 -12.5577 -12.5569 -12.5569 -12.1974 -12.1974 -12.1972 -12.1972 -12.1616 -12.1616 -12.1605 -12.1605 0.2561 0.2561 0.2591 0.2591 3.7632 3.7632 3.8343 3.8343 4.0797 4.0797 4.4252 4.4252 4.6101 4.6101 4.6358 4.6358 5.3425 5.3425 5.4481 5.4481 5.7514 5.7514 5.8607 5.8607 6.0205 6.0205 6.1722 6.1722 6.7256 6.7256 6.9367 6.9367 9.4066 9.4066 9.5051 9.5051 10.8074 10.8074 10.8419 10.8419 12.9489 12.9489 12.9784 12.9784 13.2474 13.2474 k = 0.3841 0.4895 0.2957 ( 5098 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5578 -12.5578 -12.5569 -12.5569 -12.1974 -12.1974 -12.1971 -12.1971 -12.1619 -12.1619 -12.1607 -12.1607 0.2643 0.2643 0.2676 0.2676 3.7633 3.7633 3.8399 3.8399 4.0750 4.0750 4.4246 4.4246 4.6368 4.6368 4.6383 4.6383 5.3377 5.3377 5.4407 5.4407 5.7614 5.7614 5.8931 5.8931 6.0107 6.0107 6.1737 6.1737 6.6505 6.6505 6.8502 6.8502 9.4190 9.4190 9.5224 9.5224 10.8122 10.8122 10.8479 10.8479 13.0222 13.0222 13.0649 13.0649 13.2326 13.2327 k = 0.3768 0.5020 0.2957 ( 5106 PWs) bands (ev): -31.2665 -31.2665 -31.2664 -31.2664 -12.5579 -12.5579 -12.5570 -12.5570 -12.1974 -12.1974 -12.1971 -12.1971 -12.1621 -12.1621 -12.1609 -12.1609 0.2721 0.2721 0.2755 0.2755 3.7638 3.7638 3.8467 3.8467 4.0692 4.0692 4.4244 4.4244 4.6370 4.6370 4.6641 4.6641 5.3337 5.3337 5.4334 5.4334 5.7708 5.7708 5.9275 5.9275 6.0014 6.0014 6.1762 6.1762 6.5826 6.5826 6.7665 6.7665 9.4307 9.4307 9.5386 9.5386 10.8154 10.8154 10.8526 10.8526 13.0833 13.0833 13.1282 13.1282 13.2310 13.2311 k = 0.3696 0.5146 0.2957 ( 5106 PWs) bands (ev): -31.2665 -31.2665 -31.2664 -31.2664 -12.5579 -12.5579 -12.5570 -12.5570 -12.1973 -12.1973 -12.1970 -12.1970 -12.1623 -12.1623 -12.1610 -12.1610 0.2791 0.2791 0.2827 0.2827 3.7646 3.7646 3.8543 3.8543 4.0624 4.0624 4.4245 4.4245 4.6367 4.6367 4.6869 4.6869 5.3304 5.3304 5.4265 5.4265 5.7795 5.7795 5.9630 5.9630 5.9929 5.9929 6.1803 6.1803 6.5229 6.5229 6.6863 6.6863 9.4415 9.4415 9.5534 9.5534 10.8173 10.8173 10.8560 10.8560 13.1314 13.1314 13.1531 13.1531 13.2260 13.2260 k = 0.3623 0.5271 0.2957 ( 5106 PWs) bands (ev): -31.2665 -31.2665 -31.2664 -31.2664 -12.5579 -12.5579 -12.5570 -12.5570 -12.1973 -12.1973 -12.1970 -12.1970 -12.1625 -12.1625 -12.1612 -12.1612 0.2853 0.2853 0.2891 0.2891 3.7657 3.7657 3.8626 3.8626 4.0548 4.0548 4.4248 4.4248 4.6360 4.6360 4.7059 4.7059 5.3277 5.3277 5.4202 5.4202 5.7871 5.7871 5.9856 5.9856 5.9979 5.9979 6.1872 6.1872 6.4724 6.4724 6.6106 6.6106 9.4511 9.4511 9.5663 9.5663 10.8180 10.8180 10.8582 10.8582 13.1532 13.1532 13.1651 13.1651 13.2177 13.2177 k = 0.3551 0.5397 0.2957 ( 5100 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5570 -12.5570 -12.1973 -12.1973 -12.1969 -12.1969 -12.1626 -12.1626 -12.1613 -12.1613 0.2904 0.2904 0.2943 0.2943 3.7668 3.7668 3.8710 3.8710 4.0469 4.0469 4.4254 4.4254 4.6351 4.6351 4.7208 4.7208 5.3258 5.3258 5.4150 5.4150 5.7933 5.7933 5.9798 5.9798 6.0294 6.0294 6.1987 6.1987 6.4322 6.4322 6.5406 6.5406 9.4591 9.4591 9.5771 9.5771 10.8180 10.8180 10.8596 10.8596 13.1482 13.1482 13.1819 13.1819 13.2185 13.2185 k = 0.3478 0.5522 0.2957 ( 5108 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5571 -12.5571 -12.1973 -12.1973 -12.1969 -12.1969 -12.1627 -12.1627 -12.1614 -12.1614 0.2942 0.2942 0.2982 0.2982 3.7678 3.7678 3.8787 3.8787 4.0396 4.0396 4.4260 4.4260 4.6342 4.6342 4.7313 4.7313 5.3244 5.3244 5.4109 5.4109 5.7978 5.7978 5.9756 5.9756 6.0540 6.0540 6.2161 6.2161 6.4029 6.4029 6.4791 6.4791 9.4652 9.4652 9.5853 9.5853 10.8175 10.8175 10.8601 10.8601 13.1437 13.1437 13.1849 13.1849 13.2263 13.2263 k = 0.3406 0.5648 0.2957 ( 5116 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5571 -12.5571 -12.1973 -12.1973 -12.1969 -12.1969 -12.1628 -12.1628 -12.1614 -12.1614 0.2967 0.2967 0.3007 0.3007 3.7686 3.7686 3.8844 3.8844 4.0341 4.0341 4.4265 4.4265 4.6335 4.6335 4.7373 4.7373 5.3236 5.3236 5.4084 5.4084 5.8004 5.8004 5.9733 5.9733 6.0689 6.0689 6.2365 6.2365 6.3852 6.3852 6.4320 6.4320 9.4691 9.4691 9.5905 9.5905 10.8168 10.8168 10.8602 10.8602 13.1411 13.1411 13.1848 13.1849 13.2319 13.2319 k = 0.3333 0.5774 0.2957 ( 5100 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5570 -12.5570 -12.1972 -12.1972 -12.1969 -12.1969 -12.1628 -12.1628 -12.1614 -12.1614 0.2975 0.2975 0.3016 0.3016 3.7689 3.7689 3.8867 3.8867 4.0319 4.0319 4.4267 4.4267 4.6333 4.6333 4.7392 4.7392 5.3234 5.3234 5.4075 5.4075 5.8012 5.8012 5.9725 5.9725 6.0737 6.0737 6.2470 6.2470 6.3792 6.3792 6.4127 6.4127 9.4705 9.4705 9.5923 9.5923 10.8165 10.8165 10.8601 10.8601 13.1403 13.1403 13.1850 13.1850 13.2334 13.2334 k = 0.3333 0.5774 0.2957 ( 5100 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5570 -12.5570 -12.1972 -12.1972 -12.1969 -12.1969 -12.1628 -12.1628 -12.1614 -12.1614 0.2975 0.2975 0.3016 0.3016 3.7689 3.7689 3.8867 3.8867 4.0319 4.0319 4.4267 4.4267 4.6333 4.6333 4.7392 4.7392 5.3234 5.3234 5.4075 5.4075 5.8012 5.8012 5.9725 5.9725 6.0737 6.0737 6.2470 6.2470 6.3792 6.3792 6.4127 6.4127 9.4705 9.4705 9.5923 9.5923 10.8165 10.8165 10.8601 10.8601 13.1403 13.1403 13.1850 13.1850 13.2334 13.2334 k = 0.3261 0.5648 0.2957 ( 5108 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5571 -12.5571 -12.1973 -12.1973 -12.1969 -12.1969 -12.1628 -12.1628 -12.1614 -12.1614 0.2966 0.2966 0.3007 0.3007 3.7685 3.7685 3.8841 3.8841 4.0344 4.0344 4.4264 4.4264 4.6336 4.6336 4.7375 4.7375 5.3236 5.3236 5.4084 5.4084 5.8006 5.8006 5.9732 5.9732 6.0691 6.0691 6.2365 6.2365 6.3851 6.3851 6.4319 6.4319 9.4690 9.4690 9.5903 9.5903 10.8170 10.8170 10.8603 10.8603 13.1407 13.1407 13.1837 13.1837 13.2335 13.2335 k = 0.3188 0.5522 0.2957 ( 5106 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5570 -12.5570 -12.1973 -12.1973 -12.1969 -12.1969 -12.1627 -12.1627 -12.1614 -12.1614 0.2938 0.2938 0.2978 0.2978 3.7673 3.7673 3.8764 3.8764 4.0420 4.0420 4.4254 4.4254 4.6346 4.6346 4.7330 4.7330 5.3242 5.3242 5.4114 5.4114 5.7989 5.7989 5.9749 5.9749 6.0555 6.0555 6.2161 6.2161 6.4023 6.4023 6.4782 6.4782 9.4643 9.4643 9.5843 9.5843 10.8187 10.8187 10.8612 10.8612 13.1407 13.1407 13.1764 13.1764 13.2380 13.2380 k = 0.3116 0.5397 0.2957 ( 5110 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5570 -12.5570 -12.1973 -12.1973 -12.1969 -12.1969 -12.1626 -12.1626 -12.1613 -12.1613 0.2890 0.2890 0.2929 0.2929 3.7651 3.7651 3.8644 3.8644 4.0539 4.0539 4.4237 4.4237 4.6364 4.6364 4.7264 4.7264 5.3252 5.3252 5.4164 5.4164 5.7968 5.7968 5.9774 5.9774 6.0340 6.0340 6.1983 6.1983 6.4302 6.4302 6.5383 6.5383 9.4562 9.4562 9.5739 9.5739 10.8221 10.8221 10.8631 10.8631 13.1379 13.1379 13.1612 13.1612 13.2497 13.2497 k = 0.3043 0.5271 0.2957 ( 5108 PWs) bands (ev): -31.2665 -31.2665 -31.2664 -31.2664 -12.5579 -12.5579 -12.5570 -12.5570 -12.1973 -12.1973 -12.1970 -12.1970 -12.1625 -12.1625 -12.1611 -12.1611 0.2821 0.2821 0.2858 0.2858 3.7617 3.7617 3.8490 3.8490 4.0691 4.0691 4.4210 4.4210 4.6390 4.6390 4.7185 4.7185 5.3265 5.3265 5.4236 5.4236 5.7951 5.7951 5.9806 5.9806 6.0078 6.0078 6.1860 6.1860 6.4678 6.4678 6.6064 6.6064 9.4443 9.4443 9.5590 9.5590 10.8277 10.8277 10.8667 10.8667 13.1296 13.1296 13.1399 13.1399 13.2678 13.2678 k = 0.2971 0.5146 0.2957 ( 5104 PWs) bands (ev): -31.2665 -31.2665 -31.2664 -31.2664 -12.5579 -12.5579 -12.5570 -12.5570 -12.1973 -12.1973 -12.1970 -12.1970 -12.1623 -12.1623 -12.1610 -12.1610 0.2730 0.2730 0.2765 0.2765 3.7570 3.7570 3.8316 3.8316 4.0863 4.0863 4.4174 4.4174 4.6424 4.6424 4.7100 4.7100 5.3280 5.3280 5.4330 5.4330 5.7943 5.7943 5.9803 5.9803 5.9844 5.9844 6.1783 6.1783 6.5141 6.5141 6.6800 6.6800 9.4286 9.4286 9.5395 9.5395 10.8357 10.8357 10.8722 10.8722 13.1137 13.1137 13.1142 13.1142 13.2908 13.2908 k = 0.2899 0.5020 0.2957 ( 5104 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5578 -12.5578 -12.5569 -12.5569 -12.1973 -12.1973 -12.1970 -12.1970 -12.1620 -12.1620 -12.1608 -12.1608 0.2616 0.2616 0.2649 0.2649 3.7510 3.7510 3.8128 3.8128 4.1046 4.1046 4.4131 4.4131 4.6466 4.6466 4.7011 4.7011 5.3297 5.3297 5.4445 5.4445 5.7953 5.7953 5.9546 5.9546 5.9888 5.9888 6.1738 6.1738 6.5682 6.5682 6.7580 6.7580 9.4089 9.4089 9.5154 9.5154 10.8465 10.8465 10.8802 10.8802 13.0857 13.0857 13.0903 13.0903 13.3177 13.3177 k = 0.2826 0.4895 0.2957 ( 5102 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5577 -12.5577 -12.5568 -12.5568 -12.1973 -12.1973 -12.1970 -12.1970 -12.1618 -12.1618 -12.1605 -12.1605 0.2479 0.2479 0.2510 0.2510 3.7437 3.7437 3.7935 3.7935 4.1233 4.1233 4.4082 4.4082 4.6514 4.6514 4.6922 4.6922 5.3315 5.3315 5.4576 5.4576 5.7989 5.7989 5.9326 5.9326 5.9938 5.9938 6.1715 6.1715 6.6292 6.6292 6.8398 6.8398 9.3853 9.3853 9.4867 9.4867 10.8603 10.8603 10.8909 10.8909 13.0551 13.0551 13.0607 13.0607 13.3474 13.3474 k = 0.2754 0.4769 0.2957 ( 5102 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5576 -12.5576 -12.5568 -12.5568 -12.1973 -12.1973 -12.1970 -12.1970 -12.1615 -12.1615 -12.1603 -12.1603 0.2319 0.2319 0.2347 0.2347 3.7352 3.7352 3.7740 3.7740 4.1419 4.1419 4.4030 4.4030 4.6566 4.6566 4.6832 4.6832 5.3335 5.3335 5.4717 5.4717 5.8063 5.8063 5.9154 5.9154 5.9994 5.9994 6.1708 6.1708 6.6962 6.6962 6.9249 6.9249 9.3577 9.3577 9.4539 9.4539 10.8771 10.8771 10.9047 10.9047 13.0233 13.0233 13.0266 13.0266 13.3783 13.3784 k = 0.2681 0.4644 0.2957 ( 5102 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5575 -12.5575 -12.5567 -12.5567 -12.1973 -12.1973 -12.1970 -12.1970 -12.1611 -12.1611 -12.1600 -12.1600 0.2136 0.2136 0.2161 0.2161 3.7256 3.7256 3.7547 3.7547 4.1598 4.1598 4.3979 4.3979 4.6619 4.6619 4.6740 4.6740 5.3358 5.3358 5.4859 5.4859 5.8185 5.8185 5.9040 5.9040 6.0059 6.0059 6.1715 6.1715 6.7686 6.7686 7.0129 7.0129 9.3264 9.3264 9.4171 9.4171 10.8971 10.8971 10.9217 10.9217 12.9896 12.9896 12.9906 12.9906 13.4081 13.4082 k = 0.2609 0.4518 0.2957 ( 5102 PWs) bands (ev): -31.2665 -31.2665 -31.2665 -31.2665 -12.5574 -12.5574 -12.5566 -12.5566 -12.1973 -12.1973 -12.1970 -12.1970 -12.1607 -12.1607 -12.1596 -12.1596 0.1931 0.1931 0.1953 0.1953 3.7151 3.7151 3.7359 3.7359 4.1768 4.1768 4.3930 4.3930 4.6645 4.6645 4.6668 4.6668 5.3385 5.3385 5.4993 5.4993 5.8362 5.8362 5.8987 5.8987 6.0137 6.0137 6.1739 6.1739 6.8458 6.8458 7.1038 7.1038 9.2917 9.2917 9.3767 9.3767 10.9202 10.9202 10.9420 10.9420 12.9505 12.9505 12.9575 12.9575 13.4323 13.4324 k = 0.2536 0.4393 0.2957 ( 5098 PWs) bands (ev): -31.2666 -31.2666 -31.2665 -31.2665 -12.5572 -12.5572 -12.5565 -12.5565 -12.1973 -12.1973 -12.1970 -12.1970 -12.1603 -12.1603 -12.1592 -12.1592 0.1705 0.1705 0.1724 0.1724 3.7039 3.7039 3.7178 3.7178 4.1926 4.1926 4.3886 4.3886 4.6546 4.6546 4.6709 4.6709 5.3417 5.3417 5.5110 5.5110 5.8596 5.8596 5.8996 5.8996 6.0237 6.0237 6.1783 6.1783 6.9273 6.9273 7.1972 7.1972 9.2537 9.2537 9.3331 9.3331 10.9463 10.9463 10.9658 10.9658 12.9100 12.9100 12.9244 12.9244 13.4423 13.4439 k = 0.2464 0.4267 0.2957 ( 5110 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5571 -12.5571 -12.5564 -12.5564 -12.1973 -12.1973 -12.1970 -12.1970 -12.1599 -12.1599 -12.1589 -12.1589 0.1458 0.1458 0.1474 0.1474 3.6922 3.6922 3.7007 3.7007 4.2070 4.2070 4.3847 4.3847 4.6442 4.6442 4.6738 4.6738 5.3456 5.3456 5.5202 5.5202 5.8876 5.8876 5.9062 5.9062 6.0377 6.0377 6.1852 6.1852 7.0125 7.0125 7.2929 7.2929 9.2130 9.2130 9.2868 9.2868 10.9752 10.9752 10.9929 10.9929 12.8687 12.8687 12.8914 12.8914 13.4096 13.4096 k = 0.2391 0.4142 0.2957 ( 5104 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5569 -12.5569 -12.5563 -12.5563 -12.1972 -12.1972 -12.1969 -12.1969 -12.1594 -12.1594 -12.1584 -12.1584 0.1192 0.1192 0.1205 0.1205 3.6803 3.6803 3.6844 3.6844 4.2202 4.2202 4.3815 4.3815 4.6333 4.6333 4.6751 4.6751 5.3503 5.3503 5.5269 5.5269 5.9167 5.9167 5.9178 5.9178 6.0593 6.0593 6.1958 6.1958 7.1010 7.1010 7.3907 7.3907 9.1698 9.1698 9.2382 9.2382 11.0070 11.0070 11.0234 11.0234 12.8267 12.8267 12.8587 12.8587 13.3462 13.3462 k = 0.2319 0.4016 0.2957 ( 5090 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5567 -12.5567 -12.5561 -12.5561 -12.1971 -12.1971 -12.1969 -12.1969 -12.1589 -12.1589 -12.1579 -12.1579 0.0908 0.0908 0.0919 0.0919 3.6684 3.6684 3.6693 3.6693 4.2320 4.2320 4.3788 4.3788 4.6219 4.6219 4.6745 4.6745 5.3559 5.3559 5.5312 5.5312 5.9329 5.9329 5.9419 5.9419 6.0931 6.0931 6.2115 6.2115 7.1926 7.1926 7.4905 7.4905 9.1246 9.1246 9.1879 9.1879 11.0412 11.0412 11.0570 11.0570 12.7841 12.7841 12.8265 12.8265 13.2727 13.2727 k = 0.2246 0.3891 0.2957 ( 5098 PWs) bands (ev): -31.2667 -31.2667 -31.2667 -31.2667 -12.5566 -12.5566 -12.5560 -12.5560 -12.1971 -12.1971 -12.1968 -12.1968 -12.1584 -12.1584 -12.1575 -12.1575 0.0609 0.0609 0.0616 0.0616 3.6551 3.6551 3.6566 3.6566 4.2426 4.2426 4.3768 4.3768 4.6102 4.6102 4.6718 4.6718 5.3624 5.3624 5.5336 5.5336 5.9496 5.9496 5.9599 5.9599 6.1418 6.1418 6.2342 6.2342 7.2868 7.2868 7.5920 7.5920 9.0778 9.0778 9.1362 9.1362 11.0778 11.0778 11.0936 11.0936 12.7410 12.7410 12.7948 12.7948 13.1964 13.1964 k = 0.2174 0.3765 0.2957 ( 5094 PWs) bands (ev): -31.2667 -31.2667 -31.2667 -31.2667 -12.5564 -12.5564 -12.5558 -12.5558 -12.1970 -12.1970 -12.1967 -12.1967 -12.1578 -12.1578 -12.1570 -12.1570 0.0295 0.0295 0.0300 0.0300 3.6421 3.6421 3.6451 3.6451 4.2521 4.2521 4.3754 4.3754 4.5981 4.5981 4.6670 4.6670 5.3697 5.3697 5.5346 5.5346 5.9658 5.9658 5.9715 5.9715 6.2041 6.2041 6.2658 6.2658 7.3833 7.3833 7.6951 7.6951 9.0299 9.0299 9.0835 9.0835 11.1164 11.1164 11.1329 11.1329 12.6971 12.6971 12.7639 12.7639 13.1206 13.1206 k = 0.2101 0.3640 0.2957 ( 5094 PWs) bands (ev): -31.2667 -31.2667 -31.2667 -31.2667 -12.5561 -12.5561 -12.5556 -12.5556 -12.1969 -12.1969 -12.1967 -12.1967 -12.1572 -12.1572 -12.1564 -12.1564 -0.0032 -0.0032 -0.0029 -0.0029 3.6301 3.6301 3.6341 3.6341 4.2606 4.2606 4.3743 4.3743 4.5860 4.5860 4.6602 4.6602 5.3778 5.3778 5.5346 5.5346 5.9785 5.9785 5.9796 5.9796 6.2772 6.2772 6.3078 6.3078 7.4819 7.4819 7.7994 7.7994 8.9814 8.9814 9.0305 9.0305 11.1568 11.1568 11.1748 11.1748 12.6524 12.6524 12.7336 12.7336 13.0471 13.0471 k = 0.2029 0.3514 0.2957 ( 5090 PWs) bands (ev): -31.2668 -31.2668 -31.2668 -31.2668 -12.5559 -12.5559 -12.5554 -12.5554 -12.1968 -12.1968 -12.1966 -12.1966 -12.1566 -12.1566 -12.1559 -12.1559 -0.0369 -0.0369 -0.0367 -0.0367 3.6190 3.6190 3.6235 3.6235 4.2683 4.2683 4.3736 4.3736 4.5739 4.5739 4.6518 4.6518 5.3865 5.3865 5.5339 5.5339 5.9827 5.9827 5.9900 5.9900 6.3591 6.3591 6.3609 6.3609 7.5820 7.5820 7.9046 7.9046 8.9326 8.9326 8.9776 8.9776 11.1986 11.1986 11.2189 11.2189 12.6065 12.6065 12.7040 12.7040 12.9773 12.9773 k = 0.1957 0.3389 0.2957 ( 5086 PWs) bands (ev): -31.2668 -31.2668 -31.2668 -31.2668 -12.5557 -12.5557 -12.5552 -12.5552 -12.1967 -12.1967 -12.1965 -12.1965 -12.1560 -12.1560 -12.1553 -12.1553 -0.0714 -0.0714 -0.0714 -0.0714 3.6089 3.6089 3.6136 3.6136 4.2753 4.2753 4.3732 4.3732 4.5620 4.5620 4.6419 4.6419 5.3956 5.3956 5.5329 5.5329 5.9848 5.9848 5.9969 5.9969 6.4248 6.4248 6.4481 6.4481 7.6835 7.6835 8.0103 8.0103 8.8840 8.8840 8.9253 8.9253 11.2414 11.2414 11.2648 11.2648 12.5593 12.5593 12.6747 12.6747 12.9122 12.9122 k = 0.1884 0.3263 0.2957 ( 5086 PWs) bands (ev): -31.2669 -31.2669 -31.2668 -31.2668 -12.5555 -12.5555 -12.5550 -12.5550 -12.1966 -12.1966 -12.1964 -12.1964 -12.1553 -12.1553 -12.1547 -12.1547 -0.1067 -0.1067 -0.1066 -0.1066 3.5997 3.5997 3.6042 3.6042 4.2817 4.2817 4.3728 4.3728 4.5506 4.5506 4.6309 4.6309 5.4051 5.4051 5.5319 5.5319 5.9853 5.9853 6.0006 6.0006 6.4986 6.4986 6.5433 6.5433 7.7857 7.7857 8.1158 8.1158 8.8364 8.8364 8.8745 8.8745 11.2847 11.2847 11.3121 11.3121 12.5107 12.5107 12.6456 12.6456 12.8526 12.8526 k = 0.1812 0.3138 0.2957 ( 5090 PWs) bands (ev): -31.2669 -31.2669 -31.2669 -31.2669 -12.5552 -12.5552 -12.5548 -12.5548 -12.1965 -12.1965 -12.1963 -12.1963 -12.1547 -12.1547 -12.1541 -12.1541 -0.1424 -0.1424 -0.1421 -0.1421 3.5911 3.5911 3.5954 3.5954 4.2876 4.2876 4.3725 4.3725 4.5397 4.5397 4.6191 4.6191 5.4148 5.4148 5.5310 5.5310 5.9845 5.9845 6.0017 6.0017 6.5813 6.5813 6.6440 6.6440 7.8882 7.8882 8.2200 8.2200 8.7903 8.7903 8.8263 8.8263 11.3278 11.3278 11.3601 11.3601 12.4609 12.4609 12.6158 12.6158 12.7948 12.7949 k = 0.1739 0.3012 0.2957 ( 5086 PWs) bands (ev): -31.2669 -31.2669 -31.2669 -31.2669 -12.5550 -12.5550 -12.5546 -12.5546 -12.1963 -12.1963 -12.1961 -12.1961 -12.1540 -12.1540 -12.1535 -12.1535 -0.1783 -0.1783 -0.1779 -0.1779 3.5833 3.5833 3.5871 3.5871 4.2932 4.2932 4.3721 4.3721 4.5297 4.5297 4.6069 4.6069 5.4247 5.4247 5.5303 5.5303 5.9826 5.9826 6.0005 6.0005 6.6718 6.6718 6.7495 6.7495 7.9900 7.9900 8.3207 8.3207 8.7468 8.7468 8.7832 8.7832 11.3699 11.3699 11.4083 11.4083 12.4107 12.4107 12.5839 12.5839 12.7340 12.7340 k = 0.1667 0.2887 0.2957 ( 5090 PWs) bands (ev): -31.2670 -31.2670 -31.2670 -31.2670 -12.5547 -12.5547 -12.5544 -12.5544 -12.1962 -12.1962 -12.1960 -12.1960 -12.1534 -12.1534 -12.1529 -12.1529 -0.2141 -0.2141 -0.2138 -0.2138 3.5760 3.5760 3.5794 3.5794 4.2984 4.2984 4.3716 4.3716 4.5205 4.5205 4.5946 4.5946 5.4348 5.4348 5.5301 5.5301 5.9797 5.9797 5.9976 5.9976 6.7691 6.7691 6.8591 6.8591 8.0897 8.0897 8.4125 8.4125 8.7074 8.7074 8.7505 8.7505 11.4098 11.4098 11.4556 11.4556 12.3611 12.3611 12.5484 12.5484 12.6823 12.6823 k = 0.1594 0.2761 0.2957 ( 5102 PWs) bands (ev): -31.2670 -31.2670 -31.2670 -31.2670 -12.5545 -12.5545 -12.5542 -12.5542 -12.1960 -12.1960 -12.1959 -12.1959 -12.1528 -12.1528 -12.1523 -12.1523 -0.2499 -0.2499 -0.2495 -0.2495 3.5692 3.5692 3.5721 3.5721 4.3035 4.3035 4.3708 4.3708 4.5124 4.5124 4.5823 4.5823 5.4450 5.4450 5.5303 5.5303 5.9758 5.9758 5.9932 5.9932 6.8724 6.8724 6.9724 6.9724 8.1847 8.1847 8.4815 8.4815 8.6750 8.6750 8.7422 8.7422 11.4463 11.4463 11.5010 11.5010 12.3135 12.3135 12.5082 12.5082 12.6416 12.6416 k = 0.1522 0.2636 0.2957 ( 5102 PWs) bands (ev): -31.2671 -31.2671 -31.2671 -31.2671 -12.5542 -12.5542 -12.5540 -12.5540 -12.1959 -12.1959 -12.1958 -12.1958 -12.1521 -12.1521 -12.1517 -12.1517 -0.2852 -0.2852 -0.2848 -0.2848 3.5628 3.5628 3.5653 3.5653 4.3083 4.3083 4.3698 4.3698 4.5054 4.5054 4.5704 4.5704 5.4553 5.4553 5.5311 5.5311 5.9710 5.9710 5.9875 5.9875 6.9809 6.9809 7.0887 7.0887 8.2695 8.2695 8.5077 8.5077 8.6551 8.6551 8.7785 8.7785 11.4775 11.4775 11.5430 11.5430 12.2697 12.2697 12.4651 12.4651 12.6112 12.6112 k = 0.1449 0.2510 0.2957 ( 5102 PWs) bands (ev): -31.2671 -31.2671 -31.2671 -31.2671 -12.5540 -12.5540 -12.5538 -12.5538 -12.1957 -12.1957 -12.1956 -12.1956 -12.1514 -12.1514 -12.1510 -12.1510 -0.3200 -0.3200 -0.3196 -0.3196 3.5568 3.5568 3.5588 3.5588 4.3130 4.3130 4.3686 4.3686 4.4995 4.4995 4.5590 4.5590 5.4657 5.4657 5.5326 5.5326 5.9653 5.9653 5.9808 5.9808 7.0936 7.0936 7.2073 7.2073 8.3341 8.3341 8.4966 8.4966 8.6582 8.6582 8.8539 8.8539 11.5014 11.5014 11.5796 11.5796 12.2316 12.2316 12.4228 12.4228 12.5889 12.5889 k = 0.1377 0.2385 0.2957 ( 5104 PWs) bands (ev): -31.2672 -31.2672 -31.2672 -31.2672 -12.5538 -12.5538 -12.5536 -12.5536 -12.1956 -12.1956 -12.1955 -12.1955 -12.1507 -12.1507 -12.1504 -12.1504 -0.3541 -0.3541 -0.3537 -0.3537 3.5511 3.5511 3.5527 3.5527 4.3176 4.3176 4.3671 4.3671 4.4947 4.4947 4.5482 4.5482 5.4762 5.4762 5.5347 5.5347 5.9587 5.9587 5.9730 5.9730 7.2096 7.2096 7.3272 7.3272 8.3682 8.3682 8.4700 8.4700 8.6951 8.6951 8.9468 8.9468 11.5158 11.5158 11.6089 11.6089 12.2011 12.2011 12.3847 12.3847 12.5725 12.5725 k = 0.1304 0.2259 0.2957 ( 5100 PWs) bands (ev): -31.2672 -31.2672 -31.2672 -31.2672 -12.5535 -12.5535 -12.5533 -12.5533 -12.1954 -12.1954 -12.1953 -12.1953 -12.1501 -12.1501 -12.1498 -12.1498 -0.3873 -0.3873 -0.3870 -0.3870 3.5456 3.5456 3.5468 3.5468 4.3220 4.3220 4.3655 4.3655 4.4909 4.4909 4.5383 4.5383 5.4868 5.4868 5.5376 5.5376 5.9513 5.9513 5.9644 5.9644 7.3278 7.3278 7.4472 7.4472 8.3755 8.3755 8.4399 8.4399 8.7630 8.7630 9.0459 9.0459 11.5188 11.5188 11.6282 11.6282 12.1794 12.1794 12.3534 12.3534 12.5611 12.5611 k = 0.1232 0.2134 0.2957 ( 5112 PWs) bands (ev): -31.2673 -31.2673 -31.2673 -31.2673 -12.5533 -12.5533 -12.5532 -12.5532 -12.1953 -12.1953 -12.1952 -12.1952 -12.1494 -12.1494 -12.1492 -12.1492 -0.4196 -0.4196 -0.4192 -0.4192 3.5402 3.5402 3.5411 3.5411 4.3262 4.3262 4.3638 4.3638 4.4881 4.4881 4.5292 4.5292 5.4976 5.4976 5.5413 5.5413 5.9432 5.9432 5.9550 5.9550 7.4466 7.4466 7.5650 7.5650 8.3705 8.3705 8.4117 8.4117 8.8488 8.8488 9.1465 9.1465 11.5095 11.5095 11.6354 11.6354 12.1666 12.1666 12.3304 12.3304 12.5538 12.5538 k = 0.1159 0.2008 0.2957 ( 5096 PWs) bands (ev): -31.2673 -31.2673 -31.2673 -31.2673 -12.5530 -12.5530 -12.5529 -12.5529 -12.1951 -12.1951 -12.1951 -12.1951 -12.1487 -12.1487 -12.1485 -12.1485 -0.4507 -0.4507 -0.4504 -0.4504 3.5350 3.5350 3.5357 3.5357 4.3302 4.3302 4.3622 4.3622 4.4861 4.4861 4.5211 4.5211 5.5085 5.5085 5.5458 5.5458 5.9342 5.9342 5.9448 5.9448 7.5636 7.5636 7.6775 7.6775 8.3659 8.3659 8.3890 8.3890 8.9429 8.9429 9.2466 9.2466 11.4882 11.4882 11.6292 11.6292 12.1619 12.1619 12.3161 12.3161 12.5501 12.5501 k = 0.1087 0.1883 0.2957 ( 5104 PWs) bands (ev): -31.2673 -31.2673 -31.2673 -31.2673 -12.5528 -12.5528 -12.5527 -12.5527 -12.1950 -12.1950 -12.1949 -12.1949 -12.1481 -12.1481 -12.1480 -12.1480 -0.4805 -0.4805 -0.4802 -0.4802 3.5300 3.5300 3.5305 3.5305 4.3340 4.3340 4.3606 4.3606 4.4848 4.4848 4.5140 4.5140 5.5197 5.5197 5.5512 5.5512 5.9246 5.9246 5.9340 5.9340 7.6751 7.6751 7.7792 7.7792 8.3714 8.3714 8.3763 8.3763 9.0403 9.0403 9.3448 9.3448 11.4559 11.4559 11.6093 11.6093 12.1633 12.1633 12.3094 12.3094 12.5491 12.5491 k = 0.1014 0.1757 0.2957 ( 5096 PWs) bands (ev): -31.2674 -31.2674 -31.2674 -31.2674 -12.5526 -12.5526 -12.5525 -12.5525 -12.1948 -12.1948 -12.1948 -12.1948 -12.1475 -12.1475 -12.1474 -12.1474 -0.5089 -0.5089 -0.5087 -0.5087 3.5251 3.5251 3.5255 3.5255 4.3376 4.3376 4.3593 4.3593 4.4841 4.4841 4.5079 4.5079 5.5310 5.5310 5.5573 5.5573 5.9142 5.9142 5.9225 5.9225 7.7750 7.7750 7.8622 7.8622 8.3796 8.3796 8.3968 8.3968 9.1384 9.1384 9.4403 9.4403 11.4143 11.4143 11.5765 11.5765 12.1688 12.1688 12.3084 12.3084 12.5492 12.5492 k = 0.0942 0.1632 0.2957 ( 5098 PWs) bands (ev): -31.2674 -31.2674 -31.2674 -31.2674 -12.5524 -12.5524 -12.5523 -12.5523 -12.1947 -12.1947 -12.1947 -12.1947 -12.1469 -12.1469 -12.1468 -12.1468 -0.5358 -0.5358 -0.5356 -0.5356 3.5203 3.5203 3.5206 3.5206 4.3409 4.3409 4.3582 4.3582 4.4838 4.4838 4.5028 4.5028 5.5427 5.5427 5.5643 5.5643 5.9032 5.9032 5.9104 5.9104 7.8551 7.8551 7.9193 7.9193 8.4073 8.4073 8.4504 8.4504 9.2359 9.2359 9.5320 9.5320 11.3649 11.3649 11.5319 11.5319 12.1768 12.1768 12.3112 12.3112 12.5486 12.5486 k = 0.0870 0.1506 0.2957 ( 5094 PWs) bands (ev): -31.2674 -31.2674 -31.2674 -31.2674 -12.5522 -12.5522 -12.5521 -12.5521 -12.1946 -12.1946 -12.1946 -12.1946 -12.1464 -12.1464 -12.1463 -12.1463 -0.5611 -0.5611 -0.5610 -0.5610 3.5158 3.5158 3.5159 3.5159 4.3440 4.3440 4.3574 4.3574 4.4839 4.4839 4.4986 4.4986 5.5546 5.5546 5.5722 5.5722 5.8916 5.8916 5.8978 5.8978 7.9086 7.9086 7.9497 7.9497 8.4660 8.4660 8.5331 8.5331 9.3315 9.3315 9.6194 9.6194 11.3088 11.3088 11.4767 11.4767 12.1865 12.1865 12.3162 12.3162 12.5448 12.5448 k = 0.0797 0.1381 0.2957 ( 5090 PWs) bands (ev): -31.2675 -31.2675 -31.2675 -31.2675 -12.5520 -12.5520 -12.5520 -12.5520 -12.1945 -12.1945 -12.1944 -12.1944 -12.1458 -12.1458 -12.1458 -12.1458 -0.5848 -0.5848 -0.5846 -0.5846 3.5114 3.5114 3.5115 3.5115 4.3467 4.3467 4.3568 4.3568 4.4842 4.4842 4.4953 4.4953 5.5667 5.5667 5.5808 5.5808 5.8793 5.8793 5.8847 5.8847 7.9361 7.9361 7.9600 7.9600 8.5550 8.5550 8.6385 8.6385 9.4246 9.4246 9.7014 9.7014 11.2468 11.2468 11.4119 11.4119 12.1975 12.1975 12.3225 12.3225 12.5362 12.5362 k = 0.0725 0.1255 0.2957 ( 5080 PWs) bands (ev): -31.2675 -31.2675 -31.2675 -31.2675 -12.5518 -12.5518 -12.5518 -12.5518 -12.1943 -12.1943 -12.1943 -12.1943 -12.1453 -12.1453 -12.1453 -12.1453 -0.6066 -0.6066 -0.6065 -0.6065 3.5072 3.5072 3.5072 3.5072 4.3491 4.3491 4.3565 4.3565 4.4847 4.4847 4.4928 4.4928 5.5792 5.5792 5.5903 5.5903 5.8666 5.8666 5.8711 5.8711 7.9448 7.9448 7.9581 7.9581 8.6669 8.6669 8.7586 8.7586 9.5143 9.5143 9.7774 9.7774 11.1790 11.1790 11.3378 11.3378 12.2102 12.2102 12.3298 12.3298 12.5224 12.5224 k = 0.0652 0.1130 0.2957 ( 5080 PWs) bands (ev): -31.2675 -31.2675 -31.2675 -31.2675 -12.5517 -12.5517 -12.5516 -12.5516 -12.1942 -12.1942 -12.1942 -12.1942 -12.1449 -12.1449 -12.1448 -12.1448 -0.6266 -0.6266 -0.6265 -0.6265 3.5032 3.5032 3.5033 3.5033 4.3512 4.3512 4.3564 4.3564 4.4852 4.4852 4.4910 4.4910 5.5920 5.5920 5.6005 5.6005 5.8534 5.8534 5.8571 5.8571 7.9425 7.9425 7.9498 7.9498 8.7937 8.7937 8.8874 8.8874 9.6002 9.6002 9.8467 9.8467 11.1057 11.1057 11.2548 11.2548 12.2246 12.2246 12.3380 12.3380 12.5043 12.5043 k = 0.0580 0.1004 0.2957 ( 5084 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5515 -12.5515 -12.5515 -12.5515 -12.1942 -12.1942 -12.1941 -12.1941 -12.1444 -12.1444 -12.1444 -12.1444 -0.6446 -0.6446 -0.6446 -0.6446 3.4996 3.4996 3.4996 3.4996 4.3530 4.3530 4.3565 4.3565 4.4859 4.4859 4.4898 4.4898 5.6051 5.6051 5.6115 5.6115 5.8397 5.8397 5.8427 5.8427 7.9345 7.9345 7.9384 7.9384 8.9295 8.9295 9.0211 9.0211 9.6815 9.6815 9.9085 9.9085 11.0267 11.0267 11.1630 11.1630 12.2413 12.2413 12.3469 12.3469 12.4837 12.4837 k = 0.0507 0.0879 0.2957 ( 5088 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5514 -12.5514 -12.5514 -12.5514 -12.1941 -12.1941 -12.1941 -12.1941 -12.1441 -12.1441 -12.1440 -12.1440 -0.6607 -0.6607 -0.6607 -0.6607 3.4963 3.4963 3.4963 3.4963 4.3545 4.3545 4.3568 4.3568 4.4866 4.4866 4.4891 4.4891 5.6186 5.6186 5.6232 5.6232 5.8257 5.8257 5.8281 5.8281 7.9240 7.9240 7.9261 7.9261 9.0709 9.0709 9.1573 9.1573 9.7578 9.7578 9.9622 9.9622 10.9419 10.9419 11.0627 11.0627 12.2603 12.2603 12.3566 12.3566 12.4631 12.4631 k = 0.0435 0.0753 0.2957 ( 5088 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5513 -12.5513 -12.5513 -12.5513 -12.1940 -12.1940 -12.1940 -12.1940 -12.1437 -12.1437 -12.1437 -12.1437 -0.6747 -0.6747 -0.6747 -0.6747 3.4933 3.4933 3.4933 3.4933 4.3557 4.3557 4.3571 4.3571 4.4872 4.4872 4.4887 4.4887 5.6323 5.6323 5.6355 5.6355 5.8114 5.8114 5.8131 5.8131 7.9129 7.9129 7.9140 7.9140 9.2153 9.2153 9.2939 9.2939 9.8288 9.8288 10.0076 10.0076 10.8513 10.8513 10.9545 10.9545 12.2814 12.2814 12.3664 12.3664 12.4447 12.4447 k = 0.0362 0.0628 0.2957 ( 5076 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5512 -12.5512 -12.5512 -12.5512 -12.1939 -12.1939 -12.1939 -12.1939 -12.1434 -12.1434 -12.1434 -12.1434 -0.6867 -0.6867 -0.6867 -0.6867 3.4907 3.4907 3.4907 3.4907 4.3568 4.3568 4.3575 4.3575 4.4878 4.4878 4.4886 4.4886 5.6463 5.6463 5.6484 5.6484 5.7968 5.7968 5.7981 5.7981 7.9024 7.9024 7.9029 7.9029 9.3607 9.3607 9.4291 9.4291 9.8944 9.8944 10.0444 10.0444 10.7551 10.7551 10.8392 10.8392 12.3043 12.3043 12.3752 12.3752 12.4304 12.4304 k = 0.0290 0.0502 0.2957 ( 5076 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5511 -12.5511 -12.5511 -12.5511 -12.1939 -12.1939 -12.1939 -12.1939 -12.1432 -12.1432 -12.1432 -12.1432 -0.6965 -0.6965 -0.6965 -0.6965 3.4886 3.4886 3.4886 3.4886 4.3575 4.3575 4.3579 4.3579 4.4883 4.4883 4.4887 4.4887 5.6605 5.6605 5.6617 5.6617 5.7820 5.7820 5.7829 5.7829 7.8931 7.8931 7.8934 7.8934 9.5049 9.5049 9.5606 9.5606 9.9549 9.9549 10.0731 10.0731 10.6537 10.6537 10.7178 10.7178 12.3280 12.3280 12.3814 12.3814 12.4223 12.4223 k = 0.0217 0.0377 0.2957 ( 5076 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5511 -12.5511 -12.5511 -12.5511 -12.1939 -12.1939 -12.1939 -12.1939 -12.1430 -12.1430 -12.1430 -12.1430 -0.7042 -0.7042 -0.7042 -0.7042 3.4869 3.4869 3.4869 3.4869 4.3581 4.3581 4.3583 4.3583 4.4887 4.4887 4.4888 4.4888 5.6748 5.6748 5.6755 5.6755 5.7672 5.7672 5.7677 5.7677 7.8856 7.8856 7.8856 7.8856 9.6445 9.6445 9.6846 9.6846 10.0121 10.0121 10.0954 10.0954 10.5480 10.5480 10.5920 10.5920 12.3509 12.3509 12.3840 12.3840 12.4205 12.4205 k = 0.0145 0.0251 0.2957 ( 5080 PWs) bands (ev): -31.2677 -31.2677 -31.2677 -31.2677 -12.5510 -12.5510 -12.5510 -12.5510 -12.1938 -12.1938 -12.1938 -12.1938 -12.1429 -12.1429 -12.1429 -12.1429 -0.7097 -0.7097 -0.7097 -0.7097 3.4856 3.4856 3.4856 3.4856 4.3585 4.3585 4.3586 4.3586 4.4889 4.4889 4.4890 4.4890 5.6892 5.6892 5.6894 5.6894 5.7525 5.7525 5.7528 5.7528 7.8800 7.8800 7.8800 7.8800 9.7720 9.7720 9.7935 9.7935 10.0706 10.0706 10.1164 10.1164 10.4398 10.4398 10.4644 10.4644 12.3709 12.3709 12.3853 12.3853 12.4215 12.4215 k = 0.0072 0.0126 0.2957 ( 5080 PWs) bands (ev): -31.2677 -31.2677 -31.2677 -31.2677 -12.5510 -12.5510 -12.5510 -12.5510 -12.1938 -12.1938 -12.1938 -12.1938 -12.1428 -12.1428 -12.1428 -12.1428 -0.7130 -0.7130 -0.7130 -0.7130 3.4849 3.4849 3.4849 3.4849 4.3588 4.3588 4.3588 4.3588 4.4891 4.4891 4.4891 4.4891 5.7029 5.7029 5.7029 5.7029 5.7386 5.7386 5.7387 5.7387 7.8766 7.8766 7.8766 7.8766 9.8686 9.8686 9.8732 9.8732 10.1388 10.1388 10.1514 10.1514 10.3325 10.3325 10.3405 10.3405 12.3848 12.3848 12.3873 12.3873 12.4216 12.4217 k = 0.0000 0.0000 0.2957 ( 5060 PWs) bands (ev): -31.2676 -31.2676 -31.2676 -31.2676 -12.5510 -12.5510 -12.5510 -12.5510 -12.1938 -12.1938 -12.1938 -12.1938 -12.1427 -12.1427 -12.1427 -12.1427 -0.7141 -0.7141 -0.7141 -0.7141 3.4847 3.4847 3.4847 3.4847 4.3589 4.3589 4.3589 4.3589 4.4892 4.4892 4.4892 4.4892 5.7112 5.7112 5.7112 5.7112 5.7302 5.7302 5.7302 5.7302 7.8754 7.8754 7.8754 7.8754 9.9041 9.9041 9.9041 9.9041 10.2084 10.2084 10.2084 10.2084 10.2480 10.2480 10.2480 10.2480 12.3892 12.3892 12.3892 12.3892 12.4207 12.4207 k = 0.5000 0.2887 0.2957 ( 5088 PWs) bands (ev): -31.2666 -31.2666 -31.2666 -31.2666 -12.5569 -12.5569 -12.5569 -12.5569 -12.1980 -12.1980 -12.1980 -12.1980 -12.1585 -12.1585 -12.1585 -12.1585 0.1669 0.1669 0.1669 0.1669 3.8143 3.8143 3.8143 3.8143 4.1649 4.1649 4.1649 4.1649 4.5240 4.5240 4.5240 4.5240 5.4679 5.4679 5.4679 5.4679 5.6528 5.6528 5.6528 5.6528 6.1446 6.1446 6.1446 6.1446 7.8601 7.8601 7.8601 7.8601 9.2850 9.2850 9.2850 9.2850 10.6194 10.6194 10.6194 10.6194 11.8584 11.8584 11.8584 11.8584 13.5456 13.5461 k = 0.5000 0.2887 0.2816 ( 5084 PWs) bands (ev): -31.2668 -31.2668 -31.2664 -31.2664 -12.5579 -12.5579 -12.5559 -12.5559 -12.1998 -12.1998 -12.1962 -12.1962 -12.1589 -12.1589 -12.1580 -12.1580 0.1643 0.1643 0.1692 0.1692 3.7983 3.7983 3.8306 3.8306 4.1621 4.1621 4.1677 4.1677 4.5197 4.5197 4.5294 4.5294 5.4662 5.4662 5.4699 5.4699 5.6452 5.6452 5.6603 5.6603 6.1401 6.1401 6.1491 6.1491 7.8543 7.8543 7.8658 7.8658 9.2224 9.2224 9.3397 9.3397 10.6039 10.6039 10.6334 10.6334 11.8202 11.8202 11.9116 11.9116 13.5392 13.5476 k = 0.5000 0.2887 0.2675 ( 5088 PWs) bands (ev): -31.2670 -31.2670 -31.2662 -31.2662 -12.5590 -12.5590 -12.5549 -12.5549 -12.2016 -12.2016 -12.1945 -12.1945 -12.1594 -12.1594 -12.1575 -12.1575 0.1617 0.1617 0.1715 0.1715 3.7827 3.7827 3.8470 3.8470 4.1593 4.1593 4.1705 4.1705 4.5163 4.5163 4.5359 4.5359 5.4647 5.4647 5.4720 5.4720 5.6375 5.6375 5.6678 5.6678 6.1359 6.1359 6.1539 6.1539 7.8484 7.8484 7.8715 7.8715 9.1540 9.1540 9.3844 9.3844 10.5879 10.5879 10.6458 10.6458 11.7968 11.7968 11.9792 11.9792 13.5321 13.5513 k = 0.5000 0.2887 0.2534 ( 5082 PWs) bands (ev): -31.2672 -31.2672 -31.2660 -31.2660 -12.5601 -12.5601 -12.5539 -12.5539 -12.2033 -12.2033 -12.1927 -12.1927 -12.1598 -12.1598 -12.1570 -12.1570 0.1590 0.1590 0.1736 0.1736 3.7676 3.7676 3.8635 3.8635 4.1565 4.1565 4.1733 4.1733 4.5139 4.5139 4.5435 4.5435 5.4634 5.4634 5.4742 5.4742 5.6298 5.6298 5.6751 5.6751 6.1320 6.1320 6.1587 6.1587 7.8426 7.8426 7.8770 7.8770 9.0815 9.0815 9.4170 9.4170 10.5725 10.5725 10.6576 10.6576 11.7875 11.7875 12.0601 12.0601 13.5145 13.5221 k = 0.5000 0.2887 0.2394 ( 5090 PWs) bands (ev): -31.2674 -31.2674 -31.2658 -31.2658 -12.5611 -12.5611 -12.5530 -12.5530 -12.2050 -12.2050 -12.1910 -12.1910 -12.1602 -12.1602 -12.1565 -12.1565 0.1562 0.1562 0.1755 0.1755 3.7531 3.7531 3.8799 3.8799 4.1538 4.1538 4.1761 4.1761 4.5124 4.5124 4.5522 4.5522 5.4623 5.4623 5.4766 5.4766 5.6222 5.6222 5.6823 5.6823 6.1283 6.1283 6.1636 6.1636 7.8368 7.8368 7.8823 7.8823 9.0065 9.0065 9.4359 9.4359 10.5584 10.5584 10.6708 10.6708 11.7908 11.7908 12.1526 12.1526 13.4940 13.5181 k = 0.5000 0.2887 0.2253 ( 5078 PWs) bands (ev): -31.2675 -31.2675 -31.2656 -31.2656 -12.5621 -12.5621 -12.5521 -12.5521 -12.2065 -12.2065 -12.1893 -12.1893 -12.1606 -12.1606 -12.1560 -12.1560 0.1534 0.1534 0.1773 0.1773 3.7391 3.7391 3.8961 3.8961 4.1511 4.1511 4.1788 4.1788 4.5116 4.5116 4.5620 4.5620 5.4615 5.4615 5.4790 5.4790 5.6145 5.6145 5.6893 5.6893 6.1250 6.1250 6.1685 6.1685 7.8310 7.8310 7.8874 7.8874 8.9304 8.9304 9.4404 9.4404 10.5458 10.5458 10.6878 10.6878 11.8052 11.8052 12.2550 12.2550 13.4700 13.4939 k = 0.5000 0.2887 0.2112 ( 5082 PWs) bands (ev): -31.2677 -31.2677 -31.2654 -31.2654 -12.5632 -12.5632 -12.5513 -12.5513 -12.2081 -12.2081 -12.1876 -12.1876 -12.1609 -12.1609 -12.1556 -12.1556 0.1506 0.1506 0.1789 0.1789 3.7259 3.7259 3.9121 3.9121 4.1484 4.1484 4.1813 4.1813 4.5116 4.5116 4.5728 4.5728 5.4610 5.4610 5.4815 5.4815 5.6068 5.6068 5.6961 5.6961 6.1220 6.1220 6.1735 6.1735 7.8254 7.8254 7.8923 7.8923 8.8540 8.8540 9.4309 9.4309 10.5338 10.5338 10.7107 10.7107 11.8288 11.8288 12.3651 12.3651 13.4458 13.4466 k = 0.5000 0.2887 0.1971 ( 5092 PWs) bands (ev): -31.2679 -31.2679 -31.2652 -31.2652 -12.5642 -12.5642 -12.5505 -12.5505 -12.2096 -12.2096 -12.1861 -12.1861 -12.1612 -12.1612 -12.1551 -12.1551 0.1478 0.1478 0.1803 0.1803 3.7134 3.7134 3.9276 3.9276 4.1458 4.1458 4.1838 4.1838 4.5121 4.5121 4.5847 4.5847 5.4606 5.4606 5.4841 5.4841 5.5993 5.5993 5.7026 5.7026 6.1194 6.1194 6.1784 6.1784 7.8199 7.8199 7.8970 7.8970 8.7785 8.7785 9.4091 9.4091 10.5216 10.5216 10.7406 10.7406 11.8599 11.8599 12.4810 12.4810 13.4242 13.4253 k = 0.5000 0.2887 0.1830 ( 5088 PWs) bands (ev): -31.2681 -31.2681 -31.2650 -31.2650 -12.5652 -12.5652 -12.5498 -12.5498 -12.2110 -12.2110 -12.1847 -12.1847 -12.1615 -12.1615 -12.1546 -12.1546 0.1450 0.1450 0.1816 0.1816 3.7017 3.7017 3.9425 3.9425 4.1432 4.1432 4.1862 4.1862 4.5132 4.5132 4.5974 4.5974 5.4605 5.4605 5.4866 5.4866 5.5918 5.5918 5.7089 5.7089 6.1172 6.1172 6.1832 6.1832 7.8145 7.8145 7.9013 7.9013 8.7046 8.7046 9.3773 9.3773 10.5089 10.5089 10.7772 10.7772 11.8970 11.8970 12.6000 12.6000 13.4065 13.4066 k = 0.5000 0.2887 0.1690 ( 5094 PWs) bands (ev): -31.2683 -31.2683 -31.2649 -31.2649 -12.5662 -12.5662 -12.5490 -12.5490 -12.2123 -12.2123 -12.1833 -12.1833 -12.1617 -12.1617 -12.1542 -12.1542 0.1422 0.1422 0.1828 0.1828 3.6908 3.6908 3.9569 3.9569 4.1406 4.1406 4.1884 4.1884 4.5148 4.5148 4.6109 4.6109 5.4607 5.4607 5.4891 5.4891 5.5844 5.5844 5.7148 5.7148 6.1154 6.1154 6.1880 6.1880 7.8094 7.8094 7.9053 7.9053 8.6332 8.6332 9.3382 9.3382 10.4956 10.4956 10.8192 10.8192 11.9385 11.9385 12.7192 12.7192 13.3946 13.3947 k = 0.5000 0.2887 0.1549 ( 5090 PWs) bands (ev): -31.2684 -31.2684 -31.2647 -31.2647 -12.5670 -12.5670 -12.5484 -12.5484 -12.2135 -12.2135 -12.1820 -12.1820 -12.1618 -12.1618 -12.1538 -12.1538 0.1396 0.1396 0.1838 0.1838 3.6807 3.6807 3.9705 3.9705 4.1379 4.1379 4.1905 4.1905 4.5167 4.5167 4.6249 4.6249 5.4610 5.4610 5.4915 5.4915 5.5773 5.5773 5.7203 5.7203 6.1141 6.1141 6.1926 6.1926 7.8045 7.8045 7.9090 7.9090 8.5648 8.5648 9.2944 9.2944 10.4820 10.4820 10.8648 10.8648 11.9832 11.9832 12.8337 12.8337 13.3917 13.3917 k = 0.5000 0.2887 0.1408 ( 5090 PWs) bands (ev): -31.2686 -31.2686 -31.2646 -31.2646 -12.5679 -12.5679 -12.5478 -12.5478 -12.2147 -12.2147 -12.1809 -12.1809 -12.1618 -12.1618 -12.1534 -12.1534 0.1371 0.1371 0.1846 0.1846 3.6714 3.6714 3.9834 3.9834 4.1353 4.1353 4.1923 4.1923 4.5188 4.5188 4.6393 4.6393 5.4614 5.4614 5.4938 5.4938 5.5704 5.5704 5.7254 5.7254 6.1133 6.1133 6.1970 6.1970 7.7998 7.7998 7.9123 7.9123 8.5002 8.5002 9.2481 9.2481 10.4684 10.4684 10.9123 10.9123 12.0297 12.0297 12.9365 12.9365 13.4027 13.4028 k = 0.5000 0.2887 0.1267 ( 5088 PWs) bands (ev): -31.2687 -31.2687 -31.2644 -31.2644 -12.5687 -12.5687 -12.5473 -12.5473 -12.2157 -12.2157 -12.1799 -12.1799 -12.1618 -12.1618 -12.1530 -12.1530 0.1347 0.1347 0.1853 0.1853 3.6631 3.6631 3.9955 3.9955 4.1326 4.1326 4.1940 4.1940 4.5210 4.5210 4.6537 4.6537 5.4620 5.4620 5.4960 5.4960 5.5637 5.5637 5.7301 5.7301 6.1129 6.1129 6.2011 6.2011 7.7955 7.7955 7.9151 7.9151 8.4398 8.4398 9.2015 9.2015 10.4552 10.4552 10.9598 10.9598 12.0769 12.0769 13.0181 13.0181 13.4309 13.4310 k = 0.5000 0.2887 0.1126 ( 5086 PWs) bands (ev): -31.2688 -31.2688 -31.2643 -31.2643 -12.5695 -12.5695 -12.5467 -12.5467 -12.2167 -12.2167 -12.1790 -12.1790 -12.1618 -12.1618 -12.1527 -12.1527 0.1325 0.1325 0.1859 0.1859 3.6556 3.6556 4.0066 4.0066 4.1300 4.1300 4.1956 4.1956 4.5234 4.5234 4.6678 4.6678 5.4627 5.4627 5.4979 5.4979 5.5575 5.5575 5.7342 5.7342 6.1129 6.1129 6.2050 6.2050 7.7915 7.7915 7.9175 7.9175 8.3844 8.3844 9.1561 9.1561 10.4428 10.4428 11.0060 11.0060 12.1236 12.1236 13.0715 13.0715 13.4560 13.4579 k = 0.5000 0.2887 0.0986 ( 5086 PWs) bands (ev): -31.2689 -31.2689 -31.2642 -31.2642 -12.5701 -12.5701 -12.5463 -12.5463 -12.2175 -12.2175 -12.1783 -12.1783 -12.1617 -12.1617 -12.1524 -12.1524 0.1305 0.1305 0.1864 0.1864 3.6489 3.6489 4.0169 4.0169 4.1272 4.1272 4.1969 4.1969 4.5257 4.5257 4.6814 4.6814 5.4634 5.4634 5.4997 5.4997 5.5517 5.5517 5.7379 5.7379 6.1132 6.1132 6.2085 6.2085 7.7879 7.7879 7.9195 7.9195 8.3343 8.3343 9.1132 9.1132 10.4313 10.4313 11.0495 11.0495 12.1686 12.1686 13.1000 13.1000 13.4594 13.4666 k = 0.5000 0.2887 0.0845 ( 5088 PWs) bands (ev): -31.2690 -31.2690 -31.2641 -31.2641 -12.5707 -12.5707 -12.5459 -12.5459 -12.2183 -12.2183 -12.1777 -12.1777 -12.1615 -12.1615 -12.1522 -12.1522 0.1287 0.1287 0.1869 0.1869 3.6432 3.6432 4.0262 4.0262 4.1245 4.1245 4.1981 4.1981 4.5278 4.5278 4.6941 4.6941 5.4642 5.4642 5.5011 5.5011 5.5465 5.5465 5.7411 5.7411 6.1138 6.1138 6.2117 6.2117 7.7847 7.7847 7.9209 7.9209 8.2901 8.2901 9.0741 9.0741 10.4210 10.4210 11.0893 11.0893 12.2108 12.2108 13.1126 13.1126 13.4576 13.4597 k = 0.5000 0.2887 0.0704 ( 5084 PWs) bands (ev): -31.2691 -31.2691 -31.2640 -31.2640 -12.5712 -12.5712 -12.5456 -12.5456 -12.2189 -12.2189 -12.1772 -12.1772 -12.1614 -12.1614 -12.1520 -12.1520 0.1272 0.1272 0.1872 0.1872 3.6383 3.6383 4.0344 4.0344 4.1219 4.1219 4.1991 4.1991 4.5298 4.5298 4.7056 4.7056 5.4649 5.4649 5.5023 5.5023 5.5419 5.5419 5.7437 5.7437 6.1145 6.1145 6.2144 6.2144 7.7819 7.7819 7.9219 7.9219 8.2521 8.2521 9.0397 9.0397 10.4120 10.4120 11.1245 11.1245 12.2490 12.2490 13.1170 13.1170 13.4551 13.4588 k = 0.5000 0.2887 0.0563 ( 5088 PWs) bands (ev): -31.2692 -31.2692 -31.2640 -31.2640 -12.5716 -12.5716 -12.5454 -12.5454 -12.2194 -12.2194 -12.1768 -12.1768 -12.1613 -12.1613 -12.1518 -12.1518 0.1259 0.1259 0.1874 0.1874 3.6344 3.6344 4.0415 4.0415 4.1193 4.1193 4.1999 4.1999 4.5315 4.5315 4.7155 4.7155 5.4656 5.4656 5.5032 5.5032 5.5382 5.5382 5.7458 5.7458 6.1153 6.1153 6.2167 6.2167 7.7796 7.7796 7.9225 7.9225 8.2207 8.2207 9.0105 9.0105 10.4045 10.4045 11.1543 11.1543 12.2822 12.2822 13.1173 13.1173 13.4532 13.4577 k = 0.5000 0.2887 0.0422 ( 5088 PWs) bands (ev): -31.2692 -31.2692 -31.2639 -31.2639 -12.5720 -12.5720 -12.5452 -12.5452 -12.2198 -12.2198 -12.1765 -12.1765 -12.1611 -12.1611 -12.1517 -12.1517 0.1249 0.1249 0.1876 0.1876 3.6313 3.6313 4.0473 4.0473 4.1170 4.1170 4.2005 4.2005 4.5329 4.5329 4.7235 4.7235 5.4661 5.4661 5.5038 5.5038 5.5352 5.5352 5.7475 5.7475 6.1161 6.1161 6.2186 6.2186 7.7777 7.7777 7.9227 7.9227 8.1961 8.1961 8.9873 8.9873 10.3986 10.3986 11.1782 11.1782 12.3093 12.3093 13.1160 13.1160 13.4515 13.4865 k = 0.5000 0.2887 0.0282 ( 5074 PWs) bands (ev): -31.2692 -31.2692 -31.2639 -31.2639 -12.5722 -12.5722 -12.5450 -12.5450 -12.2200 -12.2200 -12.1763 -12.1763 -12.1610 -12.1610 -12.1515 -12.1515 0.1242 0.1242 0.1877 0.1877 3.6291 3.6291 4.0517 4.0517 4.1152 4.1152 4.2009 4.2009 4.5340 4.5340 4.7295 4.7295 5.4665 5.4665 5.5041 5.5041 5.5331 5.5331 5.7486 5.7486 6.1167 6.1167 6.2199 6.2199 7.7764 7.7764 7.9228 7.9228 8.1785 8.1785 8.9704 8.9704 10.3943 10.3943 11.1956 11.1956 12.3294 12.3294 13.1145 13.1145 13.4488 13.4494 k = 0.5000 0.2887 0.0141 ( 5074 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5723 -12.5723 -12.5449 -12.5449 -12.2202 -12.2202 -12.1762 -12.1762 -12.1610 -12.1610 -12.1515 -12.1515 0.1237 0.1237 0.1878 0.1878 3.6277 3.6277 4.0545 4.0545 4.1139 4.1139 4.2012 4.2012 4.5346 4.5346 4.7331 4.7331 5.4668 5.4668 5.5043 5.5043 5.5319 5.5319 5.7493 5.7493 6.1172 6.1172 6.2207 6.2207 7.7756 7.7756 7.9227 7.9227 8.1679 8.1679 8.9601 8.9601 10.3918 10.3918 11.2062 11.2062 12.3418 12.3418 13.1134 13.1134 13.4478 13.4485 k = 0.5000 0.2887-0.0000 ( 5074 PWs) bands (ev): -31.2693 -31.2693 -31.2638 -31.2638 -12.5724 -12.5724 -12.5449 -12.5449 -12.2203 -12.2203 -12.1762 -12.1762 -12.1609 -12.1609 -12.1514 -12.1514 0.1236 0.1236 0.1878 0.1878 3.6273 3.6273 4.0555 4.0555 4.1135 4.1135 4.2013 4.2013 4.5348 4.5348 4.7344 4.7344 5.4669 5.4669 5.5043 5.5043 5.5315 5.5315 5.7495 5.7495 6.1173 6.1173 6.2210 6.2210 7.7754 7.7754 7.9227 7.9227 8.1644 8.1644 8.9567 8.9567 10.3909 10.3909 11.2097 11.2097 12.3460 12.3460 13.1129 13.1129 13.4476 13.4652 k = 0.3333 0.5774-0.0000 ( 5076 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5458 -12.5458 -12.2199 -12.2199 -12.1701 -12.1701 -12.1699 -12.1699 -12.1541 -12.1541 0.2863 0.2863 0.2901 0.2901 3.7885 3.7885 3.9029 3.9029 4.0288 4.0288 4.4952 4.4952 4.6202 4.6202 4.8915 4.8915 5.3514 5.3514 5.3881 5.3881 5.7251 5.7251 5.8707 5.8707 5.9922 5.9922 6.2588 6.2588 6.3139 6.3139 6.8682 6.8682 8.5722 8.5722 8.7154 8.7154 12.0964 12.0964 12.1610 12.1610 12.5289 12.5289 12.6179 12.6179 12.6428 12.6428 k = 0.3333 0.5774 0.0141 ( 5070 PWs) bands (ev): -31.2691 -31.2691 -31.2637 -31.2637 -12.5726 -12.5726 -12.5458 -12.5458 -12.2199 -12.2199 -12.1702 -12.1702 -12.1699 -12.1699 -12.1542 -12.1542 0.2863 0.2863 0.2902 0.2902 3.7884 3.7884 3.9028 3.9028 4.0288 4.0288 4.4948 4.4948 4.6202 4.6202 4.8906 4.8906 5.3515 5.3515 5.3880 5.3880 5.7256 5.7256 5.8714 5.8714 5.9921 5.9921 6.2587 6.2587 6.3134 6.3134 6.8667 6.8667 8.5759 8.5759 8.7189 8.7189 12.0853 12.0853 12.1504 12.1504 12.5376 12.5376 12.6185 12.6185 12.6518 12.6518 k = 0.3333 0.5774 0.0282 ( 5064 PWs) bands (ev): -31.2691 -31.2691 -31.2638 -31.2638 -12.5724 -12.5724 -12.5459 -12.5459 -12.2197 -12.2197 -12.1704 -12.1704 -12.1698 -12.1698 -12.1542 -12.1542 0.2865 0.2865 0.2903 0.2903 3.7881 3.7881 3.9026 3.9026 4.0289 4.0289 4.4936 4.4936 4.6203 4.6203 4.8879 4.8879 5.3516 5.3516 5.3879 5.3879 5.7273 5.7273 5.8736 5.8736 5.9918 5.9918 6.2583 6.2583 6.3120 6.3120 6.8623 6.8623 8.5872 8.5872 8.7293 8.7293 12.0539 12.0539 12.1206 12.1206 12.5615 12.5615 12.6216 12.6216 12.6751 12.6751 k = 0.3333 0.5774 0.0422 ( 5067 PWs) bands (ev): -31.2690 -31.2690 -31.2638 -31.2638 -12.5722 -12.5722 -12.5460 -12.5460 -12.2194 -12.2194 -12.1708 -12.1708 -12.1697 -12.1697 -12.1543 -12.1543 0.2868 0.2868 0.2907 0.2907 3.7876 3.7876 3.9022 3.9022 4.0290 4.0290 4.4916 4.4916 4.6204 4.6204 4.8835 4.8835 5.3518 5.3518 5.3878 5.3878 5.7301 5.7301 5.8773 5.8773 5.9912 5.9912 6.2576 6.2576 6.3097 6.3097 6.8550 6.8550 8.6058 8.6058 8.7466 8.7466 12.0074 12.0074 12.0755 12.0755 12.5957 12.5957 12.6283 12.6283 12.7081 12.7081 k = 0.3333 0.5774 0.0563 ( 5064 PWs) bands (ev): -31.2690 -31.2690 -31.2639 -31.2639 -12.5719 -12.5719 -12.5462 -12.5462 -12.2190 -12.2190 -12.1714 -12.1714 -12.1696 -12.1696 -12.1545 -12.1545 0.2872 0.2872 0.2911 0.2911 3.7869 3.7869 3.9016 3.9016 4.0291 4.0291 4.4890 4.4890 4.6206 4.6206 4.8774 4.8774 5.3518 5.3518 5.3878 5.3878 5.7338 5.7338 5.8825 5.8825 5.9905 5.9905 6.2569 6.2569 6.3066 6.3066 6.8447 6.8447 8.6315 8.6315 8.7706 8.7706 11.9501 11.9501 12.0192 12.0192 12.6359 12.6359 12.6383 12.6383 12.7470 12.7470 k = 0.3333 0.5774 0.0704 ( 5058 PWs) bands (ev): -31.2689 -31.2689 -31.2639 -31.2639 -12.5714 -12.5714 -12.5465 -12.5465 -12.2184 -12.2184 -12.1721 -12.1721 -12.1694 -12.1694 -12.1547 -12.1547 0.2878 0.2878 0.2916 0.2916 3.7860 3.7860 3.9009 3.9009 4.0293 4.0293 4.4856 4.4856 4.6208 4.6208 4.8700 4.8700 5.3514 5.3514 5.3881 5.3881 5.7383 5.7383 5.8892 5.8892 5.9896 5.9896 6.2560 6.2560 6.3028 6.3028 6.8317 6.8317 8.6640 8.6640 8.8011 8.8011 11.8851 11.8851 11.9546 11.9546 12.6513 12.6513 12.6793 12.6793 12.7894 12.7894 k = 0.3333 0.5774 0.0845 ( 5037 PWs) bands (ev): -31.2688 -31.2688 -31.2640 -31.2640 -12.5709 -12.5709 -12.5467 -12.5467 -12.2177 -12.2177 -12.1729 -12.1729 -12.1691 -12.1691 -12.1549 -12.1549 0.2884 0.2884 0.2922 0.2922 3.7850 3.7850 3.9001 3.9001 4.0294 4.0294 4.4818 4.4818 4.6211 4.6211 4.8614 4.8614 5.3505 5.3505 5.3888 5.3888 5.7435 5.7435 5.8975 5.8975 5.9886 5.9886 6.2551 6.2551 6.2985 6.2985 6.8161 6.8161 8.7029 8.7029 8.8377 8.8377 11.8144 11.8144 11.8838 11.8838 12.6673 12.6673 12.7241 12.7241 12.8335 12.8335 k = 0.3333 0.5774 0.0986 ( 5043 PWs) bands (ev): -31.2687 -31.2687 -31.2641 -31.2641 -12.5703 -12.5703 -12.5471 -12.5471 -12.2170 -12.2170 -12.1739 -12.1739 -12.1688 -12.1688 -12.1551 -12.1551 0.2891 0.2891 0.2930 0.2930 3.7839 3.7839 3.8991 3.8991 4.0296 4.0296 4.4774 4.4774 4.6214 4.6214 4.8518 4.8518 5.3491 5.3491 5.3899 5.3899 5.7492 5.7492 5.9073 5.9073 5.9874 5.9874 6.2544 6.2544 6.2938 6.2938 6.7978 6.7978 8.7477 8.7477 8.8801 8.8801 11.7394 11.7394 11.8081 11.8081 12.6861 12.6861 12.7693 12.7693 12.8783 12.8783 k = 0.3333 0.5774 0.1126 ( 5058 PWs) bands (ev): -31.2686 -31.2686 -31.2642 -31.2642 -12.5697 -12.5697 -12.5476 -12.5476 -12.2162 -12.2162 -12.1750 -12.1750 -12.1686 -12.1686 -12.1555 -12.1555 0.2898 0.2898 0.2937 0.2937 3.7826 3.7826 3.8980 3.8980 4.0298 4.0298 4.4727 4.4727 4.6219 4.6219 4.8415 4.8415 5.3472 5.3472 5.3914 5.3914 5.7551 5.7551 5.9187 5.9187 5.9861 5.9861 6.2540 6.2540 6.2888 6.2888 6.7772 6.7772 8.7979 8.7979 8.9278 8.9278 11.6610 11.6610 11.7287 11.7287 12.7077 12.7077 12.8144 12.8144 12.9232 12.9232 k = 0.3333 0.5774 0.1267 ( 5064 PWs) bands (ev): -31.2685 -31.2685 -31.2643 -31.2643 -12.5689 -12.5689 -12.5481 -12.5481 -12.2152 -12.2152 -12.1763 -12.1763 -12.1682 -12.1682 -12.1558 -12.1558 0.2906 0.2906 0.2945 0.2945 3.7812 3.7812 3.8969 3.8969 4.0301 4.0301 4.4677 4.4677 4.6224 4.6224 4.8307 4.8307 5.3450 5.3450 5.3931 5.3931 5.7611 5.7611 5.9315 5.9315 5.9847 5.9847 6.2540 6.2540 6.2837 6.2837 6.7543 6.7543 8.8529 8.8529 8.9804 8.9804 11.5800 11.5800 11.6464 11.6464 12.7318 12.7318 12.8590 12.8590 12.9679 12.9679 k = 0.3333 0.5774 0.1408 ( 5061 PWs) bands (ev): -31.2684 -31.2684 -31.2644 -31.2644 -12.5681 -12.5681 -12.5486 -12.5486 -12.2141 -12.2141 -12.1777 -12.1777 -12.1679 -12.1679 -12.1562 -12.1562 0.2915 0.2915 0.2954 0.2954 3.7798 3.7798 3.8957 3.8957 4.0303 4.0303 4.4626 4.4626 4.6231 4.6231 4.8196 4.8196 5.3425 5.3425 5.3950 5.3950 5.7671 5.7671 5.9457 5.9457 5.9832 5.9832 6.2547 6.2547 6.2786 6.2786 6.7294 6.7294 8.9119 8.9119 9.0372 9.0372 11.4971 11.4971 11.5621 11.5621 12.7585 12.7585 12.9029 12.9029 13.0121 13.0121 k = 0.3333 0.5774 0.1549 ( 5067 PWs) bands (ev): -31.2683 -31.2683 -31.2646 -31.2646 -12.5673 -12.5673 -12.5492 -12.5492 -12.2129 -12.2129 -12.1792 -12.1792 -12.1675 -12.1675 -12.1566 -12.1566 0.2923 0.2923 0.2962 0.2962 3.7784 3.7784 3.8945 3.8945 4.0305 4.0305 4.4575 4.4575 4.6239 4.6239 4.8085 4.8085 5.3398 5.3398 5.3969 5.3969 5.7727 5.7727 5.9610 5.9610 5.9818 5.9818 6.2563 6.2563 6.2737 6.2737 6.7027 6.7027 8.9743 8.9743 9.0975 9.0975 11.4132 11.4132 11.4765 11.4765 12.7876 12.7876 12.9458 12.9458 13.0558 13.0558 k = 0.3333 0.5774 0.1690 ( 5082 PWs) bands (ev): -31.2681 -31.2681 -31.2647 -31.2647 -12.5665 -12.5665 -12.5499 -12.5499 -12.2117 -12.2117 -12.1808 -12.1808 -12.1671 -12.1671 -12.1571 -12.1571 0.2931 0.2931 0.2971 0.2971 3.7769 3.7769 3.8933 3.8933 4.0307 4.0307 4.4525 4.4525 4.6248 4.6248 4.7976 4.7976 5.3372 5.3372 5.3988 5.3988 5.7780 5.7780 5.9771 5.9771 5.9803 5.9803 6.2591 6.2591 6.2690 6.2690 6.6744 6.6744 9.0390 9.0390 9.1605 9.1605 11.3292 11.3292 11.3905 11.3905 12.8188 12.8188 12.9878 12.9878 13.0988 13.0988 k = 0.3333 0.5774 0.1830 ( 5100 PWs) bands (ev): -31.2680 -31.2680 -31.2649 -31.2649 -12.5656 -12.5656 -12.5506 -12.5506 -12.2104 -12.2104 -12.1825 -12.1825 -12.1666 -12.1666 -12.1576 -12.1576 0.2939 0.2939 0.2979 0.2979 3.7755 3.7755 3.8921 3.8921 4.0310 4.0310 4.4477 4.4477 4.6259 4.6259 4.7871 4.7871 5.3346 5.3346 5.4005 5.4005 5.7828 5.7828 5.9789 5.9789 5.9935 5.9935 6.2635 6.2635 6.2646 6.2646 6.6447 6.6447 9.1051 9.1051 9.2252 9.2252 11.2459 11.2459 11.3052 11.3052 12.8522 12.8522 13.0284 13.0284 13.1408 13.1408 k = 0.3333 0.5774 0.1971 ( 5100 PWs) bands (ev): -31.2678 -31.2678 -31.2651 -31.2651 -12.5646 -12.5646 -12.5513 -12.5513 -12.2090 -12.2090 -12.1841 -12.1841 -12.1661 -12.1661 -12.1581 -12.1581 0.2947 0.2947 0.2987 0.2987 3.7741 3.7741 3.8910 3.8910 4.0312 4.0312 4.4432 4.4432 4.6270 4.6270 4.7771 4.7771 5.3321 5.3321 5.4021 5.4021 5.7871 5.7871 5.9775 5.9775 6.0098 6.0098 6.2607 6.2607 6.2698 6.2698 6.6141 6.6141 9.1712 9.1712 9.2905 9.2905 11.1647 11.1647 11.2218 11.2218 12.8874 12.8874 13.0675 13.0675 13.1816 13.1816 k = 0.3333 0.5774 0.2112 ( 5106 PWs) bands (ev): -31.2676 -31.2676 -31.2653 -31.2653 -12.5637 -12.5637 -12.5521 -12.5521 -12.2075 -12.2075 -12.1859 -12.1859 -12.1656 -12.1656 -12.1586 -12.1586 0.2954 0.2954 0.2994 0.2994 3.7728 3.7728 3.8899 3.8899 4.0313 4.0313 4.4390 4.4390 4.6282 4.6282 4.7679 4.7679 5.3299 5.3299 5.4035 5.4035 5.7908 5.7908 5.9763 5.9763 6.0253 6.0253 6.2571 6.2571 6.2786 6.2786 6.5827 6.5827 9.2360 9.2360 9.3547 9.3547 11.0869 11.0869 11.1417 11.1417 12.9241 12.9241 13.1045 13.1045 13.2206 13.2207 k = 0.3333 0.5774 0.2253 ( 5100 PWs) bands (ev): -31.2674 -31.2674 -31.2654 -31.2654 -12.5626 -12.5626 -12.5529 -12.5529 -12.2059 -12.2059 -12.1877 -12.1877 -12.1651 -12.1651 -12.1591 -12.1591 0.2960 0.2960 0.3000 0.3000 3.7717 3.7717 3.8890 3.8890 4.0315 4.0315 4.4354 4.4354 4.6294 4.6294 4.7597 4.7597 5.3280 5.3280 5.4047 5.4047 5.7940 5.7940 5.9752 5.9752 6.0393 6.0393 6.2541 6.2541 6.2900 6.2900 6.5509 6.5509 9.2975 9.2975 9.4163 9.4163 11.0145 11.0145 11.0668 11.0668 12.9622 12.9622 13.1389 13.1389 13.2571 13.2571 k = 0.3333 0.5774 0.2394 ( 5112 PWs) bands (ev): -31.2672 -31.2672 -31.2656 -31.2656 -12.5616 -12.5616 -12.5538 -12.5538 -12.2042 -12.2042 -12.1896 -12.1896 -12.1645 -12.1645 -12.1597 -12.1597 0.2965 0.2965 0.3006 0.3006 3.7707 3.7707 3.8882 3.8882 4.0316 4.0316 4.4323 4.4323 4.6306 4.6306 4.7527 4.7527 5.3264 5.3264 5.4057 5.4057 5.7966 5.7966 5.9743 5.9743 6.0514 6.0514 6.2516 6.2516 6.3046 6.3046 6.5191 6.5191 9.3535 9.3535 9.4727 9.4727 10.9494 10.9494 10.9993 10.9993 13.0011 13.0011 13.1697 13.1697 13.2862 13.2862 k = 0.3333 0.5774 0.2534 ( 5112 PWs) bands (ev): -31.2670 -31.2670 -31.2658 -31.2658 -12.5606 -12.5606 -12.5546 -12.5546 -12.2025 -12.2025 -12.1915 -12.1915 -12.1640 -12.1640 -12.1602 -12.1602 0.2970 0.2970 0.3010 0.3010 3.7699 3.7699 3.8875 3.8875 4.0317 4.0317 4.4299 4.4299 4.6317 4.6317 4.7469 4.7469 5.3251 5.3251 5.4065 5.4065 5.7986 5.7986 5.9735 5.9735 6.0611 6.0611 6.2496 6.2496 6.3222 6.3222 6.4876 6.4876 9.4015 9.4015 9.5215 9.5215 10.8945 10.8945 10.9420 10.9420 13.0406 13.0406 13.1959 13.1959 13.2719 13.2719 k = 0.3333 0.5774 0.2675 ( 5112 PWs) bands (ev): -31.2668 -31.2668 -31.2660 -31.2660 -12.5596 -12.5596 -12.5556 -12.5556 -12.2007 -12.2007 -12.1934 -12.1934 -12.1635 -12.1635 -12.1608 -12.1608 0.2973 0.2973 0.3013 0.3013 3.7694 3.7694 3.8871 3.8871 4.0318 4.0318 4.4281 4.4281 4.6325 4.6325 4.7427 4.7427 5.3241 5.3241 5.4070 5.4070 5.8001 5.8001 5.9730 5.9730 6.0681 6.0681 6.2482 6.2482 6.3427 6.3427 6.4572 6.4572 9.4387 9.4387 9.5595 9.5595 10.8523 10.8523 10.8978 10.8978 13.0799 13.0799 13.2161 13.2161 13.2402 13.2402 k = 0.3333 0.5774 0.2816 ( 5118 PWs) bands (ev): -31.2666 -31.2666 -31.2662 -31.2662 -12.5587 -12.5587 -12.5565 -12.5565 -12.1989 -12.1989 -12.1953 -12.1953 -12.1630 -12.1630 -12.1612 -12.1612 0.2975 0.2975 0.3015 0.3015 3.7690 3.7690 3.8868 3.8868 4.0319 4.0319 4.4270 4.4270 4.6331 4.6331 4.7401 4.7401 5.3236 5.3236 5.4073 5.4073 5.8009 5.8009 5.9726 5.9726 6.0723 6.0723 6.2473 6.2473 6.3647 6.3647 6.4293 6.4293 9.4624 9.4624 9.5839 9.5839 10.8256 10.8256 10.8698 10.8698 13.1172 13.1172 13.2068 13.2068 13.2289 13.2289 k = 0.3333 0.5774 0.2957 ( 5100 PWs) bands (ev): -31.2664 -31.2664 -31.2664 -31.2664 -12.5580 -12.5580 -12.5570 -12.5570 -12.1972 -12.1972 -12.1969 -12.1969 -12.1628 -12.1628 -12.1614 -12.1614 0.2975 0.2975 0.3016 0.3016 3.7689 3.7689 3.8867 3.8867 4.0319 4.0319 4.4267 4.4267 4.6333 4.6333 4.7392 4.7392 5.3234 5.3234 5.4075 5.4075 5.8012 5.8012 5.9725 5.9725 6.0737 6.0737 6.2470 6.2470 6.3792 6.3792 6.4127 6.4127 9.4705 9.4705 9.5923 9.5923 10.8165 10.8165 10.8601 10.8601 13.1403 13.1403 13.1850 13.1850 13.2334 13.2334 Writing output data file CaSbAu.save init_run : 0.47s CPU 0.69s WALL ( 1 calls) electrons : 442.31s CPU 447.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 442.30s CPU 447.90s 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 : 0.16s CPU 0.27s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 290 calls) cegterg : 424.63s CPU 429.68s WALL ( 1089 calls) Called by sum_band: Called by *egterg: h_psi : 184.32s CPU 187.44s WALL ( 21106 calls) s_psi : 17.86s CPU 17.97s WALL ( 21106 calls) g_psi : 0.56s CPU 0.57s WALL ( 19727 calls) cdiaghg : 181.21s CPU 183.69s WALL ( 20017 calls) cegterg:over : 18.99s CPU 18.77s WALL ( 19727 calls) cegterg:upda : 19.29s CPU 19.19s WALL ( 19727 calls) cegterg:last : 7.22s CPU 7.33s WALL ( 2268 calls) cdiaghg:chol : 10.32s CPU 10.47s WALL ( 20017 calls) cdiaghg:inve : 7.25s CPU 7.31s WALL ( 20017 calls) cdiaghg:para : 11.17s CPU 11.61s WALL ( 40034 calls) Called by h_psi: h_psi:vloc : 145.32s CPU 147.92s WALL ( 21106 calls) h_psi:vnl : 38.37s CPU 38.85s WALL ( 21106 calls) add_vuspsi : 20.60s CPU 21.11s WALL ( 21106 calls) General routines calbec : 17.72s CPU 17.69s WALL ( 21106 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 131.18s CPU 133.64s WALL ( 1642984 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.27s WALL ( 580 calls) Parallel routines fft_scatter : 49.00s CPU 49.76s WALL ( 1643007 calls) PWSCF : 7m42.08s CPU 7m57.35s WALL This run was terminated on: 13:38:21 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=