Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:49:33 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: ./BaCuSb.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 35 26 7 2067 1354 207 Max 36 27 8 2078 1395 220 Sum 1273 955 283 74453 49403 7631 bravais-lattice index = 14 lattice parameter (alat) = 8.7192 a.u. unit-cell volume = 1171.0198 (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 = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.719196 celldm(2)= 1.000000 celldm(3)= 2.039879 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 2.039879 ) 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 0.490225 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Sb 5.00 121.76000 Sb( 1.00) Cu 11.00 63.54600 Cu( 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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 ) ( 1.0199393 ) 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= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0035971 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0035971 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0035971 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0035971 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0035971 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0035971 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0035971 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0035971 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0035971 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0035971 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0035971 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0035971 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0035971 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0035971 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0035971 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0035971 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0035971 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0035971 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0035971 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0035971 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0035971 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0035971 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0035971 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0035971 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0035971 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0035971 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0035971 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0035971 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0035971 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0035971 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0035971 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0035971 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0035971 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0035971 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0035971 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0035971 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0035971 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0035971 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0035971 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0035971 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0035971 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0035971 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0035971 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0035971 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0035971 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0035971 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0035971 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0035971 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0035971 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0035971 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0035971 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0035971 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0035971 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0035971 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0035971 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0035971 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0035971 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0035971 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0035971 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0035971 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0035971 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0035971 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0035971 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0035971 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0035971 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0035971 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0035971 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0035971 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0035971 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0035971 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0035971 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0035971 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0035971 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0035971 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0035971 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0035971 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0035971 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0035971 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0035971 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0035971 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035971 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0035971 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0035971 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0035971 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0035971 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0035971 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0035971 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0035971 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0035971 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0035971 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0035971 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0035971 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0035971 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0035971 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0035971 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0035971 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0035971 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0035971 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0035971 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0035971 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0035971 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0035971 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 114) = ( 0.0000000 0.0000000 0.0144184), wk = 0.0035971 k( 115) = ( 0.0000000 0.0000000 0.0288368), wk = 0.0035971 k( 116) = ( 0.0000000 0.0000000 0.0432552), wk = 0.0035971 k( 117) = ( 0.0000000 0.0000000 0.0576736), wk = 0.0035971 k( 118) = ( 0.0000000 0.0000000 0.0720919), wk = 0.0035971 k( 119) = ( 0.0000000 0.0000000 0.0865103), wk = 0.0035971 k( 120) = ( 0.0000000 0.0000000 0.1009287), wk = 0.0035971 k( 121) = ( 0.0000000 0.0000000 0.1153471), wk = 0.0035971 k( 122) = ( 0.0000000 0.0000000 0.1297655), wk = 0.0035971 k( 123) = ( 0.0000000 0.0000000 0.1441839), wk = 0.0035971 k( 124) = ( 0.0000000 0.0000000 0.1586023), wk = 0.0035971 k( 125) = ( 0.0000000 0.0000000 0.1730207), wk = 0.0035971 k( 126) = ( 0.0000000 0.0000000 0.1874391), wk = 0.0035971 k( 127) = ( 0.0000000 0.0000000 0.2018575), wk = 0.0035971 k( 128) = ( 0.0000000 0.0000000 0.2162758), wk = 0.0035971 k( 129) = ( 0.0000000 0.0000000 0.2306942), wk = 0.0035971 k( 130) = ( 0.0000000 0.0000000 0.2451126), wk = 0.0035971 k( 131) = ( 0.0000000 0.0000000 0.2451126), wk = 0.0035971 k( 132) = ( 0.0125000 0.0072169 0.2451126), wk = 0.0035971 k( 133) = ( 0.0250000 0.0144338 0.2451126), wk = 0.0035971 k( 134) = ( 0.0375000 0.0216506 0.2451126), wk = 0.0035971 k( 135) = ( 0.0500000 0.0288675 0.2451126), wk = 0.0035971 k( 136) = ( 0.0625000 0.0360844 0.2451126), wk = 0.0035971 k( 137) = ( 0.0750000 0.0433013 0.2451126), wk = 0.0035971 k( 138) = ( 0.0875000 0.0505181 0.2451126), wk = 0.0035971 k( 139) = ( 0.1000000 0.0577350 0.2451126), wk = 0.0035971 k( 140) = ( 0.1125000 0.0649519 0.2451126), wk = 0.0035971 k( 141) = ( 0.1250000 0.0721688 0.2451126), wk = 0.0035971 k( 142) = ( 0.1375000 0.0793857 0.2451126), wk = 0.0035971 k( 143) = ( 0.1500000 0.0866025 0.2451126), wk = 0.0035971 k( 144) = ( 0.1625000 0.0938194 0.2451126), wk = 0.0035971 k( 145) = ( 0.1750000 0.1010363 0.2451126), wk = 0.0035971 k( 146) = ( 0.1875000 0.1082532 0.2451126), wk = 0.0035971 k( 147) = ( 0.2000000 0.1154701 0.2451126), wk = 0.0035971 k( 148) = ( 0.2125000 0.1226869 0.2451126), wk = 0.0035971 k( 149) = ( 0.2250000 0.1299038 0.2451126), wk = 0.0035971 k( 150) = ( 0.2375000 0.1371207 0.2451126), wk = 0.0035971 k( 151) = ( 0.2500000 0.1443376 0.2451126), wk = 0.0035971 k( 152) = ( 0.2625000 0.1515544 0.2451126), wk = 0.0035971 k( 153) = ( 0.2750000 0.1587713 0.2451126), wk = 0.0035971 k( 154) = ( 0.2875000 0.1659882 0.2451126), wk = 0.0035971 k( 155) = ( 0.3000000 0.1732051 0.2451126), wk = 0.0035971 k( 156) = ( 0.3125000 0.1804220 0.2451126), wk = 0.0035971 k( 157) = ( 0.3250000 0.1876388 0.2451126), wk = 0.0035971 k( 158) = ( 0.3375000 0.1948557 0.2451126), wk = 0.0035971 k( 159) = ( 0.3500000 0.2020726 0.2451126), wk = 0.0035971 k( 160) = ( 0.3625000 0.2092895 0.2451126), wk = 0.0035971 k( 161) = ( 0.3750000 0.2165064 0.2451126), wk = 0.0035971 k( 162) = ( 0.3875000 0.2237232 0.2451126), wk = 0.0035971 k( 163) = ( 0.4000000 0.2309401 0.2451126), wk = 0.0035971 k( 164) = ( 0.4125000 0.2381570 0.2451126), wk = 0.0035971 k( 165) = ( 0.4250000 0.2453739 0.2451126), wk = 0.0035971 k( 166) = ( 0.4375000 0.2525907 0.2451126), wk = 0.0035971 k( 167) = ( 0.4500000 0.2598076 0.2451126), wk = 0.0035971 k( 168) = ( 0.4625000 0.2670245 0.2451126), wk = 0.0035971 k( 169) = ( 0.4750000 0.2742414 0.2451126), wk = 0.0035971 k( 170) = ( 0.4875000 0.2814583 0.2451126), wk = 0.0035971 k( 171) = ( 0.5000000 0.2886751 0.2451126), wk = 0.0035971 k( 172) = ( 0.5000000 0.2886751 0.2451126), wk = 0.0035971 k( 173) = ( 0.4927536 0.3012262 0.2451126), wk = 0.0035971 k( 174) = ( 0.4855073 0.3137773 0.2451126), wk = 0.0035971 k( 175) = ( 0.4782609 0.3263284 0.2451126), wk = 0.0035971 k( 176) = ( 0.4710145 0.3388795 0.2451126), wk = 0.0035971 k( 177) = ( 0.4637681 0.3514306 0.2451126), wk = 0.0035971 k( 178) = ( 0.4565217 0.3639817 0.2451126), wk = 0.0035971 k( 179) = ( 0.4492754 0.3765328 0.2451126), wk = 0.0035971 k( 180) = ( 0.4420290 0.3890839 0.2451126), wk = 0.0035971 k( 181) = ( 0.4347826 0.4016350 0.2451126), wk = 0.0035971 k( 182) = ( 0.4275362 0.4141861 0.2451126), wk = 0.0035971 k( 183) = ( 0.4202899 0.4267372 0.2451126), wk = 0.0035971 k( 184) = ( 0.4130435 0.4392882 0.2451126), wk = 0.0035971 k( 185) = ( 0.4057971 0.4518393 0.2451126), wk = 0.0035971 k( 186) = ( 0.3985507 0.4643904 0.2451126), wk = 0.0035971 k( 187) = ( 0.3913044 0.4769415 0.2451126), wk = 0.0035971 k( 188) = ( 0.3840580 0.4894926 0.2451126), wk = 0.0035971 k( 189) = ( 0.3768116 0.5020437 0.2451126), wk = 0.0035971 k( 190) = ( 0.3695652 0.5145948 0.2451126), wk = 0.0035971 k( 191) = ( 0.3623188 0.5271459 0.2451126), wk = 0.0035971 k( 192) = ( 0.3550725 0.5396970 0.2451126), wk = 0.0035971 k( 193) = ( 0.3478261 0.5522481 0.2451126), wk = 0.0035971 k( 194) = ( 0.3405797 0.5647992 0.2451126), wk = 0.0035971 k( 195) = ( 0.3333333 0.5773503 0.2451126), wk = 0.0035971 k( 196) = ( 0.3333333 0.5773503 0.2451126), wk = 0.0035971 k( 197) = ( 0.3260870 0.5647992 0.2451126), wk = 0.0035971 k( 198) = ( 0.3188406 0.5522481 0.2451126), wk = 0.0035971 k( 199) = ( 0.3115942 0.5396970 0.2451126), wk = 0.0035971 k( 200) = ( 0.3043478 0.5271459 0.2451126), wk = 0.0035971 k( 201) = ( 0.2971014 0.5145948 0.2451126), wk = 0.0035971 k( 202) = ( 0.2898551 0.5020437 0.2451126), wk = 0.0035971 k( 203) = ( 0.2826087 0.4894926 0.2451126), wk = 0.0035971 k( 204) = ( 0.2753623 0.4769415 0.2451126), wk = 0.0035971 k( 205) = ( 0.2681159 0.4643904 0.2451126), wk = 0.0035971 k( 206) = ( 0.2608696 0.4518393 0.2451126), wk = 0.0035971 k( 207) = ( 0.2536232 0.4392883 0.2451126), wk = 0.0035971 k( 208) = ( 0.2463768 0.4267372 0.2451126), wk = 0.0035971 k( 209) = ( 0.2391304 0.4141861 0.2451126), wk = 0.0035971 k( 210) = ( 0.2318841 0.4016350 0.2451126), wk = 0.0035971 k( 211) = ( 0.2246377 0.3890839 0.2451126), wk = 0.0035971 k( 212) = ( 0.2173913 0.3765328 0.2451126), wk = 0.0035971 k( 213) = ( 0.2101449 0.3639817 0.2451126), wk = 0.0035971 k( 214) = ( 0.2028986 0.3514306 0.2451126), wk = 0.0035971 k( 215) = ( 0.1956522 0.3388795 0.2451126), wk = 0.0035971 k( 216) = ( 0.1884058 0.3263284 0.2451126), wk = 0.0035971 k( 217) = ( 0.1811594 0.3137773 0.2451126), wk = 0.0035971 k( 218) = ( 0.1739130 0.3012262 0.2451126), wk = 0.0035971 k( 219) = ( 0.1666667 0.2886751 0.2451126), wk = 0.0035971 k( 220) = ( 0.1594203 0.2761240 0.2451126), wk = 0.0035971 k( 221) = ( 0.1521739 0.2635729 0.2451126), wk = 0.0035971 k( 222) = ( 0.1449275 0.2510219 0.2451126), wk = 0.0035971 k( 223) = ( 0.1376812 0.2384708 0.2451126), wk = 0.0035971 k( 224) = ( 0.1304348 0.2259197 0.2451126), wk = 0.0035971 k( 225) = ( 0.1231884 0.2133686 0.2451126), wk = 0.0035971 k( 226) = ( 0.1159420 0.2008175 0.2451126), wk = 0.0035971 k( 227) = ( 0.1086957 0.1882664 0.2451126), wk = 0.0035971 k( 228) = ( 0.1014493 0.1757153 0.2451126), wk = 0.0035971 k( 229) = ( 0.0942029 0.1631642 0.2451126), wk = 0.0035971 k( 230) = ( 0.0869565 0.1506131 0.2451126), wk = 0.0035971 k( 231) = ( 0.0797101 0.1380620 0.2451126), wk = 0.0035971 k( 232) = ( 0.0724638 0.1255109 0.2451126), wk = 0.0035971 k( 233) = ( 0.0652174 0.1129598 0.2451126), wk = 0.0035971 k( 234) = ( 0.0579710 0.1004087 0.2451126), wk = 0.0035971 k( 235) = ( 0.0507246 0.0878577 0.2451126), wk = 0.0035971 k( 236) = ( 0.0434783 0.0753066 0.2451126), wk = 0.0035971 k( 237) = ( 0.0362319 0.0627555 0.2451126), wk = 0.0035971 k( 238) = ( 0.0289855 0.0502044 0.2451126), wk = 0.0035971 k( 239) = ( 0.0217391 0.0376533 0.2451126), wk = 0.0035971 k( 240) = ( 0.0144928 0.0251022 0.2451126), wk = 0.0035971 k( 241) = ( 0.0072464 0.0125511 0.2451126), wk = 0.0035971 k( 242) = ( 0.0000000 0.0000000 0.2451126), wk = 0.0035971 k( 243) = ( 0.5000000 0.2886751 0.2451126), wk = 0.0035971 k( 244) = ( 0.5000000 0.2886751 0.2306942), wk = 0.0035971 k( 245) = ( 0.5000000 0.2886751 0.2162758), wk = 0.0035971 k( 246) = ( 0.5000000 0.2886751 0.2018575), wk = 0.0035971 k( 247) = ( 0.5000000 0.2886751 0.1874391), wk = 0.0035971 k( 248) = ( 0.5000000 0.2886751 0.1730207), wk = 0.0035971 k( 249) = ( 0.5000000 0.2886751 0.1586023), wk = 0.0035971 k( 250) = ( 0.5000000 0.2886751 0.1441839), wk = 0.0035971 k( 251) = ( 0.5000000 0.2886751 0.1297655), wk = 0.0035971 k( 252) = ( 0.5000000 0.2886751 0.1153471), wk = 0.0035971 k( 253) = ( 0.5000000 0.2886751 0.1009287), wk = 0.0035971 k( 254) = ( 0.5000000 0.2886751 0.0865103), wk = 0.0035971 k( 255) = ( 0.5000000 0.2886751 0.0720919), wk = 0.0035971 k( 256) = ( 0.5000000 0.2886751 0.0576736), wk = 0.0035971 k( 257) = ( 0.5000000 0.2886751 0.0432552), wk = 0.0035971 k( 258) = ( 0.5000000 0.2886751 0.0288368), wk = 0.0035971 k( 259) = ( 0.5000000 0.2886751 0.0144184), wk = 0.0035971 k( 260) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 261) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 262) = ( 0.3333333 0.5773503 0.0144184), wk = 0.0035971 k( 263) = ( 0.3333333 0.5773503 0.0288368), wk = 0.0035971 k( 264) = ( 0.3333333 0.5773503 0.0432552), wk = 0.0035971 k( 265) = ( 0.3333333 0.5773503 0.0576736), wk = 0.0035971 k( 266) = ( 0.3333333 0.5773503 0.0720919), wk = 0.0035971 k( 267) = ( 0.3333333 0.5773503 0.0865103), wk = 0.0035971 k( 268) = ( 0.3333333 0.5773503 0.1009287), wk = 0.0035971 k( 269) = ( 0.3333333 0.5773503 0.1153471), wk = 0.0035971 k( 270) = ( 0.3333333 0.5773503 0.1297655), wk = 0.0035971 k( 271) = ( 0.3333333 0.5773503 0.1441839), wk = 0.0035971 k( 272) = ( 0.3333333 0.5773503 0.1586023), wk = 0.0035971 k( 273) = ( 0.3333333 0.5773503 0.1730207), wk = 0.0035971 k( 274) = ( 0.3333333 0.5773503 0.1874391), wk = 0.0035971 k( 275) = ( 0.3333333 0.5773503 0.2018575), wk = 0.0035971 k( 276) = ( 0.3333333 0.5773503 0.2162758), wk = 0.0035971 k( 277) = ( 0.3333333 0.5773503 0.2306942), wk = 0.0035971 k( 278) = ( 0.3333333 0.5773503 0.2451126), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0125000 0.0000000 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0035971 k( 5) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0035971 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0035971 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0035971 k( 9) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0035971 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0035971 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0035971 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0035971 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0035971 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0035971 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0035971 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0035971 k( 17) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0035971 k( 18) = ( 0.2125000 0.0000000 -0.0000000), wk = 0.0035971 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0035971 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0035971 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0035971 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0035971 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0035971 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0035971 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0035971 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0035971 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0035971 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0035971 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0035971 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0035971 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0035971 k( 32) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0035971 k( 33) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0035971 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0035971 k( 35) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0035971 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0035971 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0035971 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0035971 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0035971 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0035971 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 43) = ( 0.4927536 0.0144928 -0.0000000), wk = 0.0035971 k( 44) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0035971 k( 45) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0035971 k( 46) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0035971 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0035971 k( 48) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0035971 k( 49) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0035971 k( 50) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0035971 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0035971 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0035971 k( 53) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0035971 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0035971 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0035971 k( 56) = ( 0.3985507 0.2028986 0.0000000), wk = 0.0035971 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0035971 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0035971 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0035971 k( 60) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0035971 k( 61) = ( 0.3623188 0.2753623 -0.0000000), wk = 0.0035971 k( 62) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0035971 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0035971 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0035971 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035971 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035971 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0035971 k( 68) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0035971 k( 69) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0035971 k( 70) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0035971 k( 71) = ( 0.2971014 0.2971015 -0.0000000), wk = 0.0035971 k( 72) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0035971 k( 73) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0035971 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0035971 k( 75) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0035971 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0035971 k( 77) = ( 0.2536232 0.2536232 -0.0000000), wk = 0.0035971 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0035971 k( 79) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0035971 k( 80) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0035971 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0035971 k( 82) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0035971 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0035971 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0035971 k( 85) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0035971 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0035971 k( 87) = ( 0.1811594 0.1811594 -0.0000000), wk = 0.0035971 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0035971 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035971 k( 90) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0035971 k( 91) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0035971 k( 92) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0035971 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0035971 k( 94) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0035971 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0035971 k( 96) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0035971 k( 97) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0035971 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0035971 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0035971 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0035971 k( 101) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0035971 k( 102) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0035971 k( 103) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0035971 k( 104) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0035971 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0035971 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0035971 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0035971 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0035971 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0035971 k( 110) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0035971 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 114) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0035971 k( 115) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0035971 k( 116) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0035971 k( 117) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0035971 k( 118) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0035971 k( 119) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0035971 k( 120) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0035971 k( 121) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0035971 k( 122) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0035971 k( 123) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0035971 k( 124) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0035971 k( 125) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0035971 k( 126) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0035971 k( 127) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0035971 k( 128) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0035971 k( 129) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0035971 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 132) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0035971 k( 133) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0035971 k( 134) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0035971 k( 135) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0035971 k( 136) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0035971 k( 137) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0035971 k( 138) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0035971 k( 139) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0035971 k( 140) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0035971 k( 141) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0035971 k( 142) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0035971 k( 143) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0035971 k( 144) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0035971 k( 145) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0035971 k( 146) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0035971 k( 147) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0035971 k( 148) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0035971 k( 149) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0035971 k( 150) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0035971 k( 151) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0035971 k( 152) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0035971 k( 153) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0035971 k( 154) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0035971 k( 155) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0035971 k( 156) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0035971 k( 157) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0035971 k( 158) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0035971 k( 159) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0035971 k( 160) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0035971 k( 161) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0035971 k( 162) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0035971 k( 163) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0035971 k( 164) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0035971 k( 165) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0035971 k( 166) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0035971 k( 167) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0035971 k( 168) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0035971 k( 169) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0035971 k( 170) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0035971 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 173) = ( 0.4927536 0.0144928 0.5000000), wk = 0.0035971 k( 174) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0035971 k( 175) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0035971 k( 176) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0035971 k( 177) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0035971 k( 178) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0035971 k( 179) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0035971 k( 180) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0035971 k( 181) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0035971 k( 182) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0035971 k( 183) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0035971 k( 184) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0035971 k( 185) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0035971 k( 186) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0035971 k( 187) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0035971 k( 188) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0035971 k( 189) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0035971 k( 190) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0035971 k( 191) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0035971 k( 192) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0035971 k( 193) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0035971 k( 194) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0035971 k( 195) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 k( 196) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 k( 197) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0035971 k( 198) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0035971 k( 199) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0035971 k( 200) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0035971 k( 201) = ( 0.2971014 0.2971015 0.5000000), wk = 0.0035971 k( 202) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0035971 k( 203) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0035971 k( 204) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0035971 k( 205) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0035971 k( 206) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0035971 k( 207) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0035971 k( 208) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0035971 k( 209) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0035971 k( 210) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0035971 k( 211) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0035971 k( 212) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0035971 k( 213) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0035971 k( 214) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0035971 k( 215) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0035971 k( 216) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0035971 k( 217) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0035971 k( 218) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0035971 k( 219) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035971 k( 220) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0035971 k( 221) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0035971 k( 222) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0035971 k( 223) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0035971 k( 224) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0035971 k( 225) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0035971 k( 226) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0035971 k( 227) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0035971 k( 228) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0035971 k( 229) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0035971 k( 230) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0035971 k( 231) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0035971 k( 232) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0035971 k( 233) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0035971 k( 234) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0035971 k( 235) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0035971 k( 236) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0035971 k( 237) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0035971 k( 238) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0035971 k( 239) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0035971 k( 240) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0035971 k( 241) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0035971 k( 242) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 243) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 244) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0035971 k( 245) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0035971 k( 246) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0035971 k( 247) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0035971 k( 248) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0035971 k( 249) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0035971 k( 250) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0035971 k( 251) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0035971 k( 252) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0035971 k( 253) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0035971 k( 254) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0035971 k( 255) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0035971 k( 256) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0035971 k( 257) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0035971 k( 258) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0035971 k( 259) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0035971 k( 260) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 261) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035971 k( 262) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0035971 k( 263) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0035971 k( 264) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0035971 k( 265) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0035971 k( 266) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0035971 k( 267) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0035971 k( 268) = ( 0.3333333 0.3333333 0.2058824), wk = 0.0035971 k( 269) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0035971 k( 270) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0035971 k( 271) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0035971 k( 272) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0035971 k( 273) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0035971 k( 274) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0035971 k( 275) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0035971 k( 276) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0035971 k( 277) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0035971 k( 278) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 Dense grid: 74453 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 49403 G-vectors FFT dimensions: ( 40, 40, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 370, 62) NL pseudopotentials 0.58 Mb ( 185, 206) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2067) G-vector shells 0.01 Mb ( 997) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.40 Mb ( 370, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 206, 2, 62) The potential is recalculated from file : ./BaCuSb.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.7 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 13.0 secs Computing kpt #: 12 total cpu time spent up to now is 14.1 secs Computing kpt #: 13 total cpu time spent up to now is 15.3 secs Computing kpt #: 14 total cpu time spent up to now is 16.2 secs Computing kpt #: 15 total cpu time spent up to now is 17.2 secs Computing kpt #: 16 total cpu time spent up to now is 18.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.9 secs Computing kpt #: 18 total cpu time spent up to now is 19.9 secs Computing kpt #: 19 total cpu time spent up to now is 20.7 secs Computing kpt #: 20 total cpu time spent up to now is 21.4 secs Computing kpt #: 21 total cpu time spent up to now is 22.3 secs Computing kpt #: 22 total cpu time spent up to now is 23.1 secs Computing kpt #: 23 total cpu time spent up to now is 23.9 secs Computing kpt #: 24 total cpu time spent up to now is 24.7 secs Computing kpt #: 25 total cpu time spent up to now is 25.6 secs Computing kpt #: 26 total cpu time spent up to now is 26.3 secs Computing kpt #: 27 total cpu time spent up to now is 27.1 secs Computing kpt #: 28 total cpu time spent up to now is 27.8 secs Computing kpt #: 29 total cpu time spent up to now is 28.5 secs Computing kpt #: 30 total cpu time spent up to now is 29.3 secs Computing kpt #: 31 total cpu time spent up to now is 30.1 secs Computing kpt #: 32 total cpu time spent up to now is 30.9 secs Computing kpt #: 33 total cpu time spent up to now is 31.6 secs Computing kpt #: 34 total cpu time spent up to now is 32.4 secs Computing kpt #: 35 total cpu time spent up to now is 33.2 secs Computing kpt #: 36 total cpu time spent up to now is 34.0 secs Computing kpt #: 37 total cpu time spent up to now is 34.8 secs Computing kpt #: 38 total cpu time spent up to now is 35.7 secs Computing kpt #: 39 total cpu time spent up to now is 36.6 secs Computing kpt #: 40 total cpu time spent up to now is 37.4 secs Computing kpt #: 41 total cpu time spent up to now is 38.3 secs Computing kpt #: 42 total cpu time spent up to now is 39.1 secs Computing kpt #: 43 total cpu time spent up to now is 40.0 secs Computing kpt #: 44 total cpu time spent up to now is 40.7 secs Computing kpt #: 45 total cpu time spent up to now is 41.5 secs Computing kpt #: 46 total cpu time spent up to now is 42.2 secs Computing kpt #: 47 total cpu time spent up to now is 42.9 secs Computing kpt #: 48 total cpu time spent up to now is 43.6 secs Computing kpt #: 49 total cpu time spent up to now is 44.4 secs Computing kpt #: 50 total cpu time spent up to now is 45.2 secs Computing kpt #: 51 total cpu time spent up to now is 46.1 secs Computing kpt #: 52 total cpu time spent up to now is 46.9 secs Computing kpt #: 53 total cpu time spent up to now is 47.7 secs Computing kpt #: 54 total cpu time spent up to now is 48.6 secs Computing kpt #: 55 total cpu time spent up to now is 49.4 secs Computing kpt #: 56 total cpu time spent up to now is 50.2 secs Computing kpt #: 57 total cpu time spent up to now is 50.9 secs Computing kpt #: 58 total cpu time spent up to now is 51.7 secs Computing kpt #: 59 total cpu time spent up to now is 52.4 secs Computing kpt #: 60 total cpu time spent up to now is 53.1 secs Computing kpt #: 61 total cpu time spent up to now is 53.8 secs Computing kpt #: 62 total cpu time spent up to now is 54.6 secs Computing kpt #: 63 total cpu time spent up to now is 55.3 secs Computing kpt #: 64 total cpu time spent up to now is 56.0 secs Computing kpt #: 65 total cpu time spent up to now is 56.7 secs Computing kpt #: 66 total cpu time spent up to now is 57.3 secs Computing kpt #: 67 total cpu time spent up to now is 58.0 secs Computing kpt #: 68 total cpu time spent up to now is 58.7 secs Computing kpt #: 69 total cpu time spent up to now is 59.5 secs Computing kpt #: 70 total cpu time spent up to now is 60.2 secs Computing kpt #: 71 total cpu time spent up to now is 60.9 secs Computing kpt #: 72 total cpu time spent up to now is 61.7 secs Computing kpt #: 73 total cpu time spent up to now is 62.4 secs Computing kpt #: 74 total cpu time spent up to now is 63.1 secs Computing kpt #: 75 total cpu time spent up to now is 63.8 secs Computing kpt #: 76 total cpu time spent up to now is 64.4 secs Computing kpt #: 77 total cpu time spent up to now is 65.1 secs Computing kpt #: 78 total cpu time spent up to now is 65.8 secs Computing kpt #: 79 total cpu time spent up to now is 66.5 secs Computing kpt #: 80 total cpu time spent up to now is 67.2 secs Computing kpt #: 81 total cpu time spent up to now is 67.9 secs Computing kpt #: 82 total cpu time spent up to now is 68.6 secs Computing kpt #: 83 total cpu time spent up to now is 69.2 secs Computing kpt #: 84 total cpu time spent up to now is 69.9 secs Computing kpt #: 85 total cpu time spent up to now is 70.6 secs Computing kpt #: 86 total cpu time spent up to now is 71.4 secs Computing kpt #: 87 total cpu time spent up to now is 72.1 secs Computing kpt #: 88 total cpu time spent up to now is 72.8 secs Computing kpt #: 89 total cpu time spent up to now is 73.6 secs Computing kpt #: 90 total cpu time spent up to now is 74.4 secs Computing kpt #: 91 total cpu time spent up to now is 75.1 secs Computing kpt #: 92 total cpu time spent up to now is 75.9 secs Computing kpt #: 93 total cpu time spent up to now is 76.6 secs Computing kpt #: 94 total cpu time spent up to now is 77.5 secs Computing kpt #: 95 total cpu time spent up to now is 78.2 secs Computing kpt #: 96 total cpu time spent up to now is 79.0 secs Computing kpt #: 97 total cpu time spent up to now is 79.8 secs Computing kpt #: 98 total cpu time spent up to now is 80.6 secs Computing kpt #: 99 total cpu time spent up to now is 81.3 secs Computing kpt #: 100 total cpu time spent up to now is 82.2 secs Computing kpt #: 101 total cpu time spent up to now is 83.0 secs Computing kpt #: 102 total cpu time spent up to now is 83.9 secs Computing kpt #: 103 total cpu time spent up to now is 85.2 secs Computing kpt #: 104 total cpu time spent up to now is 86.3 secs Computing kpt #: 105 total cpu time spent up to now is 87.3 secs Computing kpt #: 106 total cpu time spent up to now is 88.3 secs Computing kpt #: 107 total cpu time spent up to now is 89.3 secs Computing kpt #: 108 total cpu time spent up to now is 90.2 secs Computing kpt #: 109 total cpu time spent up to now is 91.0 secs Computing kpt #: 110 total cpu time spent up to now is 91.7 secs Computing kpt #: 111 total cpu time spent up to now is 92.5 secs Computing kpt #: 112 total cpu time spent up to now is 93.2 secs Computing kpt #: 113 total cpu time spent up to now is 93.9 secs Computing kpt #: 114 total cpu time spent up to now is 94.7 secs Computing kpt #: 115 total cpu time spent up to now is 95.4 secs Computing kpt #: 116 total cpu time spent up to now is 96.2 secs Computing kpt #: 117 total cpu time spent up to now is 96.9 secs Computing kpt #: 118 total cpu time spent up to now is 97.7 secs Computing kpt #: 119 total cpu time spent up to now is 98.4 secs Computing kpt #: 120 total cpu time spent up to now is 99.2 secs Computing kpt #: 121 total cpu time spent up to now is 99.9 secs Computing kpt #: 122 total cpu time spent up to now is 100.7 secs Computing kpt #: 123 total cpu time spent up to now is 101.5 secs Computing kpt #: 124 total cpu time spent up to now is 102.4 secs Computing kpt #: 125 total cpu time spent up to now is 103.2 secs Computing kpt #: 126 total cpu time spent up to now is 104.1 secs Computing kpt #: 127 total cpu time spent up to now is 104.9 secs Computing kpt #: 128 total cpu time spent up to now is 105.8 secs Computing kpt #: 129 total cpu time spent up to now is 106.7 secs Computing kpt #: 130 total cpu time spent up to now is 107.4 secs Computing kpt #: 131 total cpu time spent up to now is 108.1 secs Computing kpt #: 132 total cpu time spent up to now is 108.9 secs Computing kpt #: 133 total cpu time spent up to now is 109.6 secs Computing kpt #: 134 total cpu time spent up to now is 110.4 secs Computing kpt #: 135 total cpu time spent up to now is 111.2 secs Computing kpt #: 136 total cpu time spent up to now is 112.0 secs Computing kpt #: 137 total cpu time spent up to now is 112.9 secs Computing kpt #: 138 total cpu time spent up to now is 113.7 secs Computing kpt #: 139 total cpu time spent up to now is 114.4 secs Computing kpt #: 140 total cpu time spent up to now is 115.2 secs Computing kpt #: 141 total cpu time spent up to now is 115.9 secs Computing kpt #: 142 total cpu time spent up to now is 116.6 secs Computing kpt #: 143 total cpu time spent up to now is 117.4 secs Computing kpt #: 144 total cpu time spent up to now is 118.1 secs Computing kpt #: 145 total cpu time spent up to now is 118.8 secs Computing kpt #: 146 total cpu time spent up to now is 119.6 secs Computing kpt #: 147 total cpu time spent up to now is 120.5 secs Computing kpt #: 148 total cpu time spent up to now is 121.2 secs Computing kpt #: 149 total cpu time spent up to now is 122.0 secs Computing kpt #: 150 total cpu time spent up to now is 122.7 secs Computing kpt #: 151 total cpu time spent up to now is 123.5 secs Computing kpt #: 152 total cpu time spent up to now is 124.3 secs Computing kpt #: 153 total cpu time spent up to now is 125.1 secs Computing kpt #: 154 total cpu time spent up to now is 125.9 secs Computing kpt #: 155 total cpu time spent up to now is 126.7 secs Computing kpt #: 156 total cpu time spent up to now is 127.4 secs Computing kpt #: 157 total cpu time spent up to now is 128.2 secs Computing kpt #: 158 total cpu time spent up to now is 129.0 secs Computing kpt #: 159 total cpu time spent up to now is 129.8 secs Computing kpt #: 160 total cpu time spent up to now is 130.5 secs Computing kpt #: 161 total cpu time spent up to now is 131.3 secs Computing kpt #: 162 total cpu time spent up to now is 132.1 secs Computing kpt #: 163 total cpu time spent up to now is 132.9 secs Computing kpt #: 164 total cpu time spent up to now is 133.7 secs Computing kpt #: 165 total cpu time spent up to now is 134.4 secs Computing kpt #: 166 total cpu time spent up to now is 135.2 secs Computing kpt #: 167 total cpu time spent up to now is 136.0 secs Computing kpt #: 168 total cpu time spent up to now is 136.8 secs Computing kpt #: 169 total cpu time spent up to now is 137.6 secs Computing kpt #: 170 total cpu time spent up to now is 138.5 secs Computing kpt #: 171 total cpu time spent up to now is 139.4 secs Computing kpt #: 172 total cpu time spent up to now is 140.2 secs Computing kpt #: 173 total cpu time spent up to now is 141.5 secs Computing kpt #: 174 total cpu time spent up to now is 142.8 secs Computing kpt #: 175 total cpu time spent up to now is 143.7 secs Computing kpt #: 176 total cpu time spent up to now is 144.7 secs Computing kpt #: 177 total cpu time spent up to now is 145.6 secs Computing kpt #: 178 total cpu time spent up to now is 146.5 secs Computing kpt #: 179 total cpu time spent up to now is 147.4 secs Computing kpt #: 180 total cpu time spent up to now is 148.3 secs Computing kpt #: 181 total cpu time spent up to now is 149.2 secs Computing kpt #: 182 total cpu time spent up to now is 150.1 secs Computing kpt #: 183 total cpu time spent up to now is 151.0 secs Computing kpt #: 184 total cpu time spent up to now is 151.9 secs Computing kpt #: 185 total cpu time spent up to now is 152.8 secs Computing kpt #: 186 total cpu time spent up to now is 153.7 secs Computing kpt #: 187 total cpu time spent up to now is 154.6 secs Computing kpt #: 188 total cpu time spent up to now is 155.6 secs Computing kpt #: 189 total cpu time spent up to now is 156.5 secs Computing kpt #: 190 total cpu time spent up to now is 157.4 secs Computing kpt #: 191 total cpu time spent up to now is 158.3 secs Computing kpt #: 192 total cpu time spent up to now is 159.3 secs Computing kpt #: 193 total cpu time spent up to now is 160.3 secs Computing kpt #: 194 total cpu time spent up to now is 161.2 secs Computing kpt #: 195 total cpu time spent up to now is 162.1 secs Computing kpt #: 196 total cpu time spent up to now is 163.0 secs Computing kpt #: 197 total cpu time spent up to now is 163.9 secs Computing kpt #: 198 total cpu time spent up to now is 164.7 secs Computing kpt #: 199 total cpu time spent up to now is 165.5 secs Computing kpt #: 200 total cpu time spent up to now is 166.3 secs Computing kpt #: 201 total cpu time spent up to now is 167.1 secs Computing kpt #: 202 total cpu time spent up to now is 168.1 secs Computing kpt #: 203 total cpu time spent up to now is 169.0 secs Computing kpt #: 204 total cpu time spent up to now is 169.9 secs Computing kpt #: 205 total cpu time spent up to now is 170.8 secs Computing kpt #: 206 total cpu time spent up to now is 171.7 secs Computing kpt #: 207 total cpu time spent up to now is 172.6 secs Computing kpt #: 208 total cpu time spent up to now is 173.4 secs Computing kpt #: 209 total cpu time spent up to now is 174.2 secs Computing kpt #: 210 total cpu time spent up to now is 175.1 secs Computing kpt #: 211 total cpu time spent up to now is 175.8 secs Computing kpt #: 212 total cpu time spent up to now is 176.6 secs Computing kpt #: 213 total cpu time spent up to now is 177.4 secs Computing kpt #: 214 total cpu time spent up to now is 178.2 secs Computing kpt #: 215 total cpu time spent up to now is 179.0 secs Computing kpt #: 216 total cpu time spent up to now is 179.8 secs Computing kpt #: 217 total cpu time spent up to now is 180.6 secs Computing kpt #: 218 total cpu time spent up to now is 181.3 secs Computing kpt #: 219 total cpu time spent up to now is 182.1 secs Computing kpt #: 220 total cpu time spent up to now is 182.8 secs Computing kpt #: 221 total cpu time spent up to now is 183.6 secs Computing kpt #: 222 total cpu time spent up to now is 184.4 secs Computing kpt #: 223 total cpu time spent up to now is 185.4 secs Computing kpt #: 224 total cpu time spent up to now is 186.3 secs Computing kpt #: 225 total cpu time spent up to now is 187.1 secs Computing kpt #: 226 total cpu time spent up to now is 188.2 secs Computing kpt #: 227 total cpu time spent up to now is 189.1 secs Computing kpt #: 228 total cpu time spent up to now is 190.2 secs Computing kpt #: 229 total cpu time spent up to now is 191.4 secs Computing kpt #: 230 total cpu time spent up to now is 192.2 secs Computing kpt #: 231 total cpu time spent up to now is 193.1 secs Computing kpt #: 232 total cpu time spent up to now is 193.9 secs Computing kpt #: 233 total cpu time spent up to now is 194.7 secs Computing kpt #: 234 total cpu time spent up to now is 195.5 secs Computing kpt #: 235 total cpu time spent up to now is 196.3 secs Computing kpt #: 236 total cpu time spent up to now is 197.1 secs Computing kpt #: 237 total cpu time spent up to now is 197.9 secs Computing kpt #: 238 total cpu time spent up to now is 198.9 secs Computing kpt #: 239 total cpu time spent up to now is 199.6 secs Computing kpt #: 240 total cpu time spent up to now is 200.4 secs Computing kpt #: 241 total cpu time spent up to now is 201.2 secs Computing kpt #: 242 total cpu time spent up to now is 201.9 secs Computing kpt #: 243 total cpu time spent up to now is 202.8 secs Computing kpt #: 244 total cpu time spent up to now is 203.7 secs Computing kpt #: 245 total cpu time spent up to now is 204.5 secs Computing kpt #: 246 total cpu time spent up to now is 205.3 secs Computing kpt #: 247 total cpu time spent up to now is 206.1 secs Computing kpt #: 248 total cpu time spent up to now is 206.9 secs Computing kpt #: 249 total cpu time spent up to now is 207.6 secs Computing kpt #: 250 total cpu time spent up to now is 208.4 secs Computing kpt #: 251 total cpu time spent up to now is 209.1 secs Computing kpt #: 252 total cpu time spent up to now is 209.9 secs Computing kpt #: 253 total cpu time spent up to now is 210.6 secs Computing kpt #: 254 total cpu time spent up to now is 211.3 secs Computing kpt #: 255 total cpu time spent up to now is 212.1 secs Computing kpt #: 256 total cpu time spent up to now is 212.9 secs Computing kpt #: 257 total cpu time spent up to now is 213.8 secs Computing kpt #: 258 total cpu time spent up to now is 214.6 secs Computing kpt #: 259 total cpu time spent up to now is 215.4 secs Computing kpt #: 260 total cpu time spent up to now is 216.3 secs Computing kpt #: 261 total cpu time spent up to now is 216.9 secs Computing kpt #: 262 total cpu time spent up to now is 217.6 secs Computing kpt #: 263 total cpu time spent up to now is 218.3 secs Computing kpt #: 264 total cpu time spent up to now is 219.0 secs Computing kpt #: 265 total cpu time spent up to now is 219.7 secs Computing kpt #: 266 total cpu time spent up to now is 220.4 secs Computing kpt #: 267 total cpu time spent up to now is 221.1 secs Computing kpt #: 268 total cpu time spent up to now is 221.8 secs Computing kpt #: 269 total cpu time spent up to now is 222.5 secs Computing kpt #: 270 total cpu time spent up to now is 223.2 secs Computing kpt #: 271 total cpu time spent up to now is 223.9 secs Computing kpt #: 272 total cpu time spent up to now is 224.6 secs Computing kpt #: 273 total cpu time spent up to now is 225.4 secs Computing kpt #: 274 total cpu time spent up to now is 226.1 secs Computing kpt #: 275 total cpu time spent up to now is 226.8 secs Computing kpt #: 276 total cpu time spent up to now is 227.6 secs Computing kpt #: 277 total cpu time spent up to now is 228.4 secs Computing kpt #: 278 total cpu time spent up to now is 229.3 secs ethr = 1.92E-08, avg # of iterations = 20.8 total cpu time spent up to now is 229.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6183 PWs) bands (ev): -19.5929 -19.5929 -19.5830 -19.5830 -6.2978 -6.2978 -6.1997 -6.1997 -4.5260 -4.5260 -4.2066 -4.2066 -4.1382 -4.1382 -4.1095 -4.1095 -1.3865 -1.3865 -0.5195 -0.5195 4.8034 4.8034 4.8349 4.8349 4.9857 4.9857 5.0083 5.0083 5.0441 5.0441 5.4122 5.4122 5.5545 5.5545 5.6570 5.6570 5.6644 5.6644 5.7636 5.7636 5.8501 5.8501 7.3806 7.3806 7.8498 7.8498 7.9788 7.9788 8.5741 8.5741 8.8113 8.8113 8.9341 8.9341 9.3470 9.3470 9.3975 9.3975 10.0950 10.0950 10.1244 10.1244 k = 0.0125 0.0072-0.0000 ( 6189 PWs) bands (ev): -19.5929 -19.5929 -19.5829 -19.5829 -6.2978 -6.2978 -6.1999 -6.1999 -4.5258 -4.5258 -4.2067 -4.2067 -4.1388 -4.1388 -4.1099 -4.1099 -1.3850 -1.3850 -0.5196 -0.5196 4.8040 4.8040 4.8350 4.8350 4.9848 4.9848 5.0098 5.0098 5.0436 5.0436 5.4123 5.4123 5.5548 5.5548 5.6571 5.6571 5.6643 5.6643 5.7639 5.7639 5.8502 5.8502 7.3791 7.3791 7.8433 7.8433 7.9716 7.9716 8.5555 8.5555 8.7855 8.7855 8.9357 8.9357 9.3591 9.3591 9.4274 9.4274 10.1075 10.1075 10.1345 10.1345 k = 0.0250 0.0144-0.0000 ( 6189 PWs) bands (ev): -19.5928 -19.5928 -19.5828 -19.5828 -6.2979 -6.2979 -6.2004 -6.2004 -4.5254 -4.5254 -4.2071 -4.2071 -4.1405 -4.1405 -4.1110 -4.1110 -1.3803 -1.3803 -0.5201 -0.5201 4.8057 4.8057 4.8355 4.8355 4.9823 4.9823 5.0136 5.0136 5.0423 5.0423 5.4129 5.4129 5.5558 5.5558 5.6574 5.6574 5.6642 5.6642 5.7650 5.7650 5.8503 5.8503 7.3746 7.3746 7.8213 7.8213 7.9540 7.9540 8.4989 8.4989 8.7265 8.7265 8.9398 8.9398 9.3934 9.3934 9.5005 9.5005 10.1438 10.1438 10.1661 10.1661 k = 0.0375 0.0217-0.0000 ( 6181 PWs) bands (ev): -19.5926 -19.5926 -19.5827 -19.5827 -6.2980 -6.2980 -6.2012 -6.2012 -4.5248 -4.5248 -4.2077 -4.2077 -4.1432 -4.1432 -4.1128 -4.1128 -1.3726 -1.3726 -0.5210 -0.5210 4.8084 4.8084 4.8366 4.8366 4.9787 4.9787 5.0192 5.0192 5.0406 5.0406 5.4138 5.4138 5.5573 5.5573 5.6578 5.6578 5.6640 5.6640 5.7669 5.7669 5.8505 5.8505 7.3670 7.3670 7.7791 7.7791 7.9347 7.9347 8.4064 8.4064 8.6594 8.6594 8.9462 8.9462 9.4433 9.4433 9.5920 9.5920 10.1961 10.1961 10.2270 10.2270 k = 0.0500 0.0289-0.0000 ( 6187 PWs) bands (ev): -19.5924 -19.5924 -19.5825 -19.5825 -6.2981 -6.2981 -6.2024 -6.2024 -4.5239 -4.5239 -4.2086 -4.2086 -4.1469 -4.1469 -4.1154 -4.1154 -1.3618 -1.3618 -0.5221 -0.5221 4.8115 4.8115 4.8383 4.8383 4.9740 4.9740 5.0253 5.0253 5.0397 5.0397 5.4150 5.4150 5.5594 5.5594 5.6581 5.6581 5.6640 5.6640 5.7694 5.7694 5.8509 5.8509 7.3566 7.3566 7.7163 7.7163 7.9185 7.9185 8.2891 8.2891 8.5918 8.5918 8.9548 8.9548 9.4996 9.4996 9.6900 9.6900 10.2580 10.2580 10.3214 10.3214 k = 0.0625 0.0361-0.0000 ( 6195 PWs) bands (ev): -19.5921 -19.5921 -19.5822 -19.5822 -6.2984 -6.2984 -6.2038 -6.2038 -4.5228 -4.5228 -4.2100 -4.2100 -4.1514 -4.1514 -4.1186 -4.1186 -1.3481 -1.3481 -0.5236 -0.5236 4.8144 4.8144 4.8413 4.8413 4.9675 4.9675 5.0297 5.0297 5.0422 5.0422 5.4165 5.4165 5.5621 5.5621 5.6580 5.6580 5.6645 5.6645 5.7728 5.7728 5.8515 5.8515 7.3432 7.3432 7.6378 7.6378 7.9048 7.9048 8.1589 8.1589 8.5224 8.5224 8.9656 8.9656 9.5534 9.5534 9.7934 9.7934 10.3301 10.3301 10.4411 10.4411 k = 0.0750 0.0433-0.0000 ( 6191 PWs) bands (ev): -19.5917 -19.5917 -19.5818 -19.5818 -6.2986 -6.2986 -6.2056 -6.2056 -4.5214 -4.5214 -4.2118 -4.2118 -4.1566 -4.1566 -4.1225 -4.1225 -1.3315 -1.3315 -0.5253 -0.5253 4.8161 4.8161 4.8459 4.8459 4.9588 4.9588 5.0313 5.0313 5.0500 5.0500 5.4182 5.4182 5.5653 5.5653 5.6573 5.6573 5.6656 5.6656 5.7771 5.7771 5.8526 5.8526 7.3268 7.3268 7.5490 7.5490 7.8919 7.8919 8.0239 8.0239 8.4502 8.4502 8.9783 8.9783 9.5994 9.5994 9.9045 9.9045 10.4055 10.4055 10.4393 10.4393 k = 0.0875 0.0505-0.0000 ( 6211 PWs) bands (ev): -19.5913 -19.5913 -19.5815 -19.5815 -6.2990 -6.2990 -6.2077 -6.2077 -4.5198 -4.5198 -4.2144 -4.2144 -4.1621 -4.1621 -4.1270 -4.1270 -1.3121 -1.3121 -0.5273 -0.5273 4.8162 4.8162 4.8523 4.8523 4.9472 4.9472 5.0328 5.0328 5.0607 5.0607 5.4201 5.4201 5.5690 5.5690 5.6561 5.6561 5.6673 5.6673 5.7822 5.7822 5.8543 5.8543 7.3064 7.3064 7.4545 7.4545 7.8754 7.8754 7.8916 7.8916 8.3754 8.3754 8.9925 8.9925 9.6368 9.6368 10.0236 10.0236 10.3705 10.3705 10.5046 10.5046 k = 0.1000 0.0577-0.0000 ( 6213 PWs) bands (ev): -19.5908 -19.5908 -19.5810 -19.5810 -6.2993 -6.2993 -6.2101 -6.2101 -4.5179 -4.5179 -4.2180 -4.2180 -4.1676 -4.1676 -4.1321 -4.1321 -1.2901 -1.2901 -0.5295 -0.5295 4.8147 4.8147 4.8603 4.8603 4.9327 4.9327 5.0357 5.0357 5.0729 5.0729 5.4222 5.4222 5.5731 5.5731 5.6545 5.6545 5.6695 5.6695 5.7880 5.7880 5.8572 5.8572 7.2782 7.2782 7.3605 7.3605 7.7551 7.7551 7.8650 7.8650 8.2987 8.2987 9.0080 9.0080 9.6676 9.6676 10.1487 10.1487 10.3070 10.3070 10.5990 10.5990 k = 0.1125 0.0650-0.0000 ( 6211 PWs) bands (ev): -19.5903 -19.5903 -19.5805 -19.5805 -6.2998 -6.2998 -6.2127 -6.2127 -4.5159 -4.5159 -4.2228 -4.2228 -4.1729 -4.1729 -4.1378 -4.1378 -1.2657 -1.2657 -0.5319 -0.5319 4.8116 4.8116 4.8696 4.8696 4.9153 4.9153 5.0401 5.0401 5.0863 5.0863 5.4244 5.4244 5.5774 5.5774 5.6525 5.6525 5.6720 5.6720 5.7941 5.7941 5.8619 5.8619 7.2208 7.2208 7.2895 7.2895 7.6283 7.6283 7.8487 7.8487 8.2211 8.2211 9.0242 9.0242 9.6938 9.6938 10.2328 10.2328 10.2835 10.2835 10.6979 10.6979 k = 0.1250 0.0722-0.0000 ( 6209 PWs) bands (ev): -19.5897 -19.5897 -19.5800 -19.5800 -6.3003 -6.3003 -6.2156 -6.2156 -4.5136 -4.5136 -4.2290 -4.2290 -4.1775 -4.1775 -4.1439 -4.1439 -1.2388 -1.2388 -0.5345 -0.5345 4.8069 4.8069 4.8788 4.8788 4.8959 4.8959 5.0459 5.0459 5.1005 5.1005 5.4266 5.4266 5.5819 5.5819 5.6504 5.6504 5.6748 5.6748 5.8000 5.8000 5.8695 5.8695 7.1266 7.1266 7.2485 7.2485 7.5101 7.5101 7.8303 7.8303 8.1435 8.1435 9.0405 9.0405 9.7174 9.7174 10.1645 10.1645 10.4096 10.4096 10.7968 10.7968 k = 0.1375 0.0794-0.0000 ( 6215 PWs) bands (ev): -19.5891 -19.5891 -19.5794 -19.5794 -6.3009 -6.3009 -6.2188 -6.2188 -4.5111 -4.5111 -4.2367 -4.2367 -4.1813 -4.1813 -4.1504 -4.1504 -1.2098 -1.2098 -0.5371 -0.5371 4.8005 4.8005 4.8692 4.8692 4.8932 4.8932 5.0529 5.0529 5.1151 5.1151 5.4288 5.4288 5.5862 5.5862 5.6480 5.6480 5.6780 5.6780 5.8049 5.8049 5.8809 5.8809 7.0232 7.0232 7.2064 7.2064 7.4062 7.4062 7.8091 7.8091 8.0670 8.0670 9.0562 9.0562 9.7398 9.7398 10.0914 10.0914 10.5347 10.5347 10.8644 10.8644 k = 0.1500 0.0866-0.0000 ( 6217 PWs) bands (ev): -19.5884 -19.5884 -19.5787 -19.5787 -6.3016 -6.3016 -6.2222 -6.2222 -4.5085 -4.5085 -4.2458 -4.2458 -4.1843 -4.1843 -4.1573 -4.1573 -1.1788 -1.1788 -0.5398 -0.5398 4.7923 4.7923 4.8436 4.8436 4.9046 4.9046 5.0612 5.0612 5.1298 5.1298 5.4309 5.4309 5.5903 5.5903 5.6454 5.6454 5.6813 5.6813 5.8085 5.8085 5.8972 5.8972 6.9184 6.9184 7.1485 7.1485 7.3252 7.3252 7.7839 7.7839 7.9932 7.9932 9.0703 9.0703 9.7623 9.7623 10.0171 10.0171 10.6507 10.6507 10.9114 10.9114 k = 0.1625 0.0938-0.0000 ( 6212 PWs) bands (ev): -19.5877 -19.5877 -19.5781 -19.5781 -6.3023 -6.3023 -6.2258 -6.2258 -4.5057 -4.5057 -4.2560 -4.2560 -4.1866 -4.1866 -4.1644 -4.1644 -1.1460 -1.1460 -0.5425 -0.5425 4.7814 4.7814 4.8155 4.8155 4.9172 4.9172 5.0703 5.0703 5.1442 5.1442 5.4328 5.4328 5.5940 5.5940 5.6429 5.6429 5.6848 5.6848 5.8107 5.8107 5.9186 5.9186 6.8145 6.8145 7.0705 7.0705 7.2705 7.2705 7.7529 7.7529 7.9244 7.9244 9.0821 9.0821 9.7858 9.7858 9.9423 9.9423 10.7511 10.7511 10.9601 10.9601 k = 0.1750 0.1010-0.0000 ( 6204 PWs) bands (ev): -19.5870 -19.5870 -19.5774 -19.5774 -6.3031 -6.3031 -6.2297 -6.2297 -4.5028 -4.5028 -4.2671 -4.2671 -4.1884 -4.1884 -4.1718 -4.1718 -1.1116 -1.1116 -0.5451 -0.5451 4.7642 4.7642 4.7889 4.7889 4.9305 4.9305 5.0802 5.0802 5.1580 5.1580 5.4345 5.4345 5.5969 5.5969 5.6404 5.6404 5.6884 5.6884 5.8117 5.8117 5.9452 5.9452 6.7132 6.7132 6.9813 6.9813 7.2329 7.2329 7.7134 7.7134 7.8636 7.8636 9.0904 9.0904 9.8112 9.8112 9.8678 9.8678 10.8298 10.8298 11.0117 11.0117 k = 0.1875 0.1083-0.0000 ( 6192 PWs) bands (ev): -19.5862 -19.5862 -19.5766 -19.5766 -6.3041 -6.3041 -6.2337 -6.2337 -4.4998 -4.4998 -4.2789 -4.2789 -4.1899 -4.1899 -4.1792 -4.1792 -1.0759 -1.0759 -0.5475 -0.5475 4.7345 4.7345 4.7700 4.7700 4.9445 4.9445 5.0909 5.0909 5.1710 5.1710 5.4359 5.4359 5.5991 5.5991 5.6382 5.6382 5.6920 5.6920 5.8119 5.8119 5.9769 5.9769 6.6155 6.6155 6.8894 6.8894 7.2038 7.2038 7.6634 7.6634 7.8132 7.8132 9.0945 9.0945 9.7934 9.7934 9.8397 9.8397 10.8849 10.8849 11.0662 11.0662 k = 0.2000 0.1155-0.0000 ( 6174 PWs) bands (ev): -19.5854 -19.5854 -19.5759 -19.5759 -6.3050 -6.3050 -6.2378 -6.2378 -4.4967 -4.4967 -4.2912 -4.2912 -4.1913 -4.1913 -4.1865 -4.1865 -1.0391 -1.0391 -0.5495 -0.5495 4.6961 4.6961 4.7549 4.7549 4.9592 4.9592 5.1021 5.1021 5.1828 5.1828 5.4370 5.4370 5.6002 5.6002 5.6364 5.6364 5.6957 5.6957 5.8115 5.8115 6.0132 6.0132 6.5226 6.5226 6.7987 6.7987 7.1787 7.1787 7.6045 7.6045 7.7721 7.7721 9.0935 9.0935 9.7203 9.7203 9.8712 9.8712 10.9201 10.9201 11.1234 11.1234 k = 0.2125 0.1227-0.0000 ( 6176 PWs) bands (ev): -19.5846 -19.5846 -19.5751 -19.5751 -6.3061 -6.3061 -6.2421 -6.2421 -4.4936 -4.4936 -4.3037 -4.3037 -4.1954 -4.1954 -4.1910 -4.1910 -1.0015 -1.0015 -0.5511 -0.5511 4.6527 4.6527 4.7398 4.7398 4.9743 4.9743 5.1138 5.1138 5.1933 5.1933 5.4377 5.4377 5.6003 5.6003 5.6351 5.6351 5.6992 5.6992 5.8105 5.8105 6.0537 6.0537 6.4357 6.4357 6.7109 6.7109 7.1559 7.1559 7.5405 7.5405 7.7368 7.7368 9.0872 9.0872 9.6482 9.6482 9.9066 9.9066 10.9427 10.9427 11.1831 11.1831 k = 0.2250 0.1299-0.0000 ( 6172 PWs) bands (ev): -19.5837 -19.5837 -19.5743 -19.5743 -6.3072 -6.3072 -6.2464 -6.2464 -4.4906 -4.4906 -4.3164 -4.3164 -4.2026 -4.2026 -4.1921 -4.1921 -0.9635 -0.9635 -0.5521 -0.5521 4.6053 4.6053 4.7240 4.7240 4.9900 4.9900 5.1258 5.1258 5.2024 5.2024 5.4381 5.4381 5.5994 5.5994 5.6343 5.6343 5.7026 5.7026 5.8093 5.8093 6.0973 6.0973 6.3561 6.3561 6.6265 6.6265 7.1344 7.1344 7.4749 7.4749 7.7046 7.7046 9.0752 9.0752 9.5773 9.5773 9.9460 9.9460 10.9599 10.9599 11.2446 11.2446 k = 0.2375 0.1371-0.0000 ( 6170 PWs) bands (ev): -19.5829 -19.5829 -19.5735 -19.5735 -6.3084 -6.3084 -6.2509 -6.2509 -4.4875 -4.4875 -4.3290 -4.3290 -4.2099 -4.2099 -4.1927 -4.1927 -0.9255 -0.9255 -0.5521 -0.5521 4.5541 4.5541 4.7073 4.7073 5.0062 5.0062 5.1378 5.1378 5.2103 5.2103 5.4382 5.4382 5.5976 5.5976 5.6339 5.6339 5.7058 5.7058 5.8079 5.8079 6.1410 6.1410 6.2871 6.2871 6.5456 6.5456 7.1136 7.1136 7.4100 7.4100 7.6737 7.6737 9.0580 9.0580 9.5076 9.5076 9.9893 9.9893 10.9771 10.9771 11.3074 11.3074 k = 0.2500 0.1443-0.0000 ( 6174 PWs) bands (ev): -19.5820 -19.5820 -19.5727 -19.5727 -6.3097 -6.3097 -6.2554 -6.2554 -4.4846 -4.4846 -4.3416 -4.3416 -4.2171 -4.2171 -4.1932 -4.1932 -0.8880 -0.8880 -0.5509 -0.5509 4.4994 4.4994 4.6898 4.6898 5.0227 5.0227 5.1497 5.1497 5.2169 5.2169 5.4381 5.4381 5.5952 5.5952 5.6339 5.6339 5.7088 5.7088 5.8064 5.8064 6.1649 6.1649 6.2482 6.2482 6.4683 6.4683 7.0924 7.0924 7.3476 7.3476 7.6435 7.6435 9.0360 9.0360 9.4392 9.4392 10.0361 10.0361 10.9976 10.9976 11.3706 11.3706 k = 0.2625 0.1516-0.0000 ( 6184 PWs) bands (ev): -19.5812 -19.5812 -19.5719 -19.5719 -6.3110 -6.3110 -6.2599 -6.2599 -4.4818 -4.4818 -4.3539 -4.3539 -4.2240 -4.2240 -4.1936 -4.1936 -0.8518 -0.8518 -0.5479 -0.5479 4.4416 4.4416 4.6717 4.6717 5.0397 5.0397 5.1611 5.1611 5.2227 5.2227 5.4378 5.4378 5.5925 5.5925 5.6340 5.6340 5.7115 5.7115 5.8048 5.8048 6.1315 6.1315 6.2763 6.2763 6.3948 6.3948 7.0698 7.0698 7.2896 7.2896 7.6136 7.6136 9.0098 9.0098 9.3722 9.3722 10.0861 10.0861 11.0237 11.0237 11.4329 11.4329 k = 0.2750 0.1588-0.0000 ( 6188 PWs) bands (ev): -19.5803 -19.5803 -19.5711 -19.5711 -6.3124 -6.3124 -6.2644 -6.2644 -4.4793 -4.4793 -4.3659 -4.3659 -4.2306 -4.2306 -4.1939 -4.1939 -0.8176 -0.8176 -0.5425 -0.5425 4.3811 4.3811 4.6531 4.6531 5.0570 5.0570 5.1715 5.1715 5.2282 5.2282 5.4374 5.4374 5.5894 5.5894 5.6342 5.6342 5.7138 5.7138 5.8033 5.8033 6.0830 6.0830 6.3203 6.3203 6.3334 6.3334 7.0440 7.0440 7.2382 7.2382 7.5841 7.5841 8.9804 8.9804 9.3063 9.3063 10.1384 10.1384 11.0564 11.0564 11.4926 11.4926 k = 0.2875 0.1660-0.0000 ( 6178 PWs) bands (ev): -19.5795 -19.5795 -19.5703 -19.5703 -6.3138 -6.3138 -6.2689 -6.2689 -4.4770 -4.4770 -4.3776 -4.3776 -4.2368 -4.2368 -4.1942 -4.1942 -0.7863 -0.7863 -0.5340 -0.5340 4.3185 4.3185 4.6342 4.6342 5.0745 5.0745 5.1803 5.1803 5.2342 5.2342 5.4371 5.4371 5.5863 5.5863 5.6345 5.6345 5.7159 5.7159 5.8019 5.8019 6.0376 6.0376 6.2580 6.2580 6.3872 6.3872 7.0128 7.0128 7.1958 7.1958 7.5549 7.5549 8.9487 8.9487 9.2416 9.2416 10.1923 10.1923 11.0965 11.0965 11.5477 11.5477 k = 0.3000 0.1732-0.0000 ( 6176 PWs) bands (ev): -19.5787 -19.5787 -19.5695 -19.5695 -6.3153 -6.3153 -6.2733 -6.2733 -4.4750 -4.4750 -4.3887 -4.3887 -4.2426 -4.2426 -4.1944 -4.1944 -0.7591 -0.7591 -0.5216 -0.5216 4.2544 4.2544 4.6152 4.6152 5.0919 5.0919 5.1867 5.1867 5.2412 5.2412 5.4368 5.4368 5.5832 5.5832 5.6348 5.6348 5.7176 5.7176 5.8005 5.8005 5.9971 5.9971 6.1957 6.1957 6.4467 6.4467 6.9752 6.9752 7.1639 7.1639 7.5263 7.5263 8.9153 8.9153 9.1780 9.1780 10.2472 10.2472 11.1442 11.1442 11.5937 11.5937 k = 0.3125 0.1804-0.0000 ( 6160 PWs) bands (ev): -19.5779 -19.5779 -19.5688 -19.5688 -6.3167 -6.3167 -6.2776 -6.2776 -4.4735 -4.4735 -4.3992 -4.3992 -4.2479 -4.2479 -4.1945 -4.1945 -0.7367 -0.7367 -0.5047 -0.5047 4.1895 4.1895 4.5962 4.5962 5.1090 5.1090 5.1909 5.1909 5.2498 5.2498 5.4366 5.4366 5.5801 5.5801 5.6351 5.6351 5.7189 5.7189 5.7991 5.7991 5.9619 5.9619 6.1373 6.1373 6.5067 6.5067 6.9322 6.9322 7.1422 7.1422 7.4985 7.4985 8.8812 8.8812 9.1153 9.1153 10.3023 10.3023 11.1995 11.1995 11.5645 11.5645 k = 0.3250 0.1876-0.0000 ( 6162 PWs) bands (ev): -19.5771 -19.5771 -19.5680 -19.5680 -6.3182 -6.3182 -6.2818 -6.2818 -4.4725 -4.4725 -4.4089 -4.4089 -4.2526 -4.2526 -4.1946 -4.1946 -0.7192 -0.7192 -0.4834 -0.4834 4.1245 4.1245 4.5776 4.5776 5.1250 5.1250 5.1935 5.1935 5.2597 5.2597 5.4366 5.4366 5.5769 5.5769 5.6354 5.6354 5.7199 5.7199 5.7976 5.7976 5.9314 5.9314 6.0830 6.0830 6.5654 6.5654 6.8862 6.8862 7.1288 7.1288 7.4719 7.4719 8.8470 8.8470 9.0535 9.0535 10.3569 10.3569 11.2622 11.2622 11.5294 11.5294 k = 0.3375 0.1949-0.0000 ( 6158 PWs) bands (ev): -19.5764 -19.5764 -19.5673 -19.5673 -6.3196 -6.3196 -6.2858 -6.2858 -4.4720 -4.4720 -4.4179 -4.4179 -4.2568 -4.2568 -4.1947 -4.1947 -0.7064 -0.7064 -0.4582 -0.4582 4.0602 4.0602 4.5594 4.5594 5.1388 5.1388 5.1962 5.1962 5.2703 5.2703 5.4368 5.4368 5.5739 5.5739 5.6358 5.6358 5.7206 5.7206 5.7959 5.7959 5.9053 5.9053 6.0330 6.0330 6.6210 6.6210 6.8402 6.8402 7.1221 7.1221 7.4469 7.4469 8.8132 8.8132 8.9925 8.9925 10.4104 10.4104 11.3316 11.3316 11.4978 11.4978 k = 0.3500 0.2021-0.0000 ( 6166 PWs) bands (ev): -19.5756 -19.5756 -19.5667 -19.5667 -6.3211 -6.3211 -6.2897 -6.2897 -4.4722 -4.4722 -4.4258 -4.4258 -4.2605 -4.2605 -4.1947 -4.1947 -0.6974 -0.6974 -0.4304 -0.4304 3.9973 3.9973 4.5419 4.5419 5.1486 5.1486 5.2013 5.2013 5.2811 5.2811 5.4371 5.4371 5.5708 5.5708 5.6362 5.6362 5.7211 5.7211 5.7935 5.7935 5.8828 5.8828 5.9878 5.9878 6.6692 6.6692 6.7983 6.7983 7.1214 7.1214 7.4242 7.4242 8.7805 8.7805 8.9323 8.9323 10.4623 10.4623 11.4066 11.4066 11.4704 11.4704 k = 0.3625 0.2093-0.0000 ( 6170 PWs) bands (ev): -19.5750 -19.5750 -19.5660 -19.5660 -6.3225 -6.3225 -6.2933 -6.2933 -4.4733 -4.4733 -4.4326 -4.4326 -4.2636 -4.2636 -4.1947 -4.1947 -0.6912 -0.6912 -0.4010 -0.4010 3.9365 3.9365 4.5252 4.5252 5.1530 5.1530 5.2107 5.2107 5.2918 5.2918 5.4376 5.4376 5.5679 5.5679 5.6367 5.6367 5.7215 5.7215 5.7898 5.7898 5.8634 5.8634 5.9481 5.9481 6.6947 6.6947 6.7753 6.7753 7.1260 7.1260 7.4046 7.4046 8.7492 8.7492 8.8730 8.8730 10.5121 10.5121 11.4459 11.4459 11.4872 11.4872 k = 0.3750 0.2165-0.0000 ( 6172 PWs) bands (ev): -19.5743 -19.5743 -19.5654 -19.5654 -6.3238 -6.3238 -6.2967 -6.2967 -4.4752 -4.4752 -4.4382 -4.4382 -4.2662 -4.2662 -4.1947 -4.1947 -0.6871 -0.6871 -0.3712 -0.3712 3.8785 3.8785 4.5095 4.5095 5.1528 5.1528 5.2236 5.2236 5.3021 5.3021 5.4383 5.4383 5.5650 5.5650 5.6373 5.6373 5.7217 5.7217 5.7840 5.7840 5.8469 5.8469 5.9147 5.9147 6.6761 6.6761 6.7919 6.7919 7.1355 7.1355 7.3894 7.3894 8.7195 8.7195 8.8146 8.8146 10.5596 10.5596 11.4275 11.4275 11.5668 11.5668 k = 0.3875 0.2237-0.0000 ( 6166 PWs) bands (ev): -19.5738 -19.5738 -19.5649 -19.5649 -6.3251 -6.3251 -6.2998 -6.2998 -4.4779 -4.4779 -4.4426 -4.4426 -4.2684 -4.2684 -4.1947 -4.1947 -0.6845 -0.6845 -0.3420 -0.3420 3.8238 3.8238 4.4948 4.4948 5.1501 5.1501 5.2380 5.2380 5.3118 5.3118 5.4391 5.4391 5.5623 5.5623 5.6382 5.6382 5.7219 5.7219 5.7749 5.7749 5.8330 5.8330 5.8886 5.8886 6.6405 6.6405 6.8202 6.8202 7.1483 7.1483 7.3806 7.3806 8.6916 8.6916 8.7578 8.7578 10.6044 10.6044 11.4130 11.4130 11.6412 11.6412 k = 0.4000 0.2309-0.0000 ( 6160 PWs) bands (ev): -19.5732 -19.5732 -19.5644 -19.5644 -6.3263 -6.3263 -6.3027 -6.3027 -4.4811 -4.4811 -4.4458 -4.4458 -4.2701 -4.2701 -4.1946 -4.1946 -0.6828 -0.6828 -0.3141 -0.3141 3.7731 3.7731 4.4814 4.4814 5.1461 5.1461 5.2528 5.2528 5.3206 5.3206 5.4401 5.4401 5.5596 5.5596 5.6392 5.6392 5.7217 5.7217 5.7622 5.7622 5.8216 5.8216 5.8699 5.8699 6.6038 6.6038 6.8446 6.8446 7.1613 7.1613 7.3806 7.3806 8.6648 8.6648 8.7036 8.7036 10.6462 10.6462 11.4025 11.4025 11.6941 11.6941 k = 0.4125 0.2382-0.0000 ( 6158 PWs) bands (ev): -19.5728 -19.5728 -19.5639 -19.5639 -6.3274 -6.3274 -6.3053 -6.3053 -4.4846 -4.4846 -4.4482 -4.4482 -4.2714 -4.2714 -4.1946 -4.1946 -0.6819 -0.6819 -0.2880 -0.2880 3.7270 3.7270 4.4693 4.4693 5.1417 5.1417 5.2670 5.2670 5.3286 5.3286 5.4411 5.4411 5.5569 5.5569 5.6404 5.6404 5.7205 5.7205 5.7479 5.7479 5.8123 5.8123 5.8578 5.8578 6.5692 6.5692 6.8632 6.8632 7.1712 7.1712 7.3912 7.3912 8.6335 8.6335 8.6583 8.6583 10.6846 10.6846 11.3957 11.3957 11.7091 11.7091 k = 0.4250 0.2454-0.0000 ( 6164 PWs) bands (ev): -19.5723 -19.5723 -19.5635 -19.5635 -6.3284 -6.3284 -6.3075 -6.3075 -4.4881 -4.4881 -4.4500 -4.4500 -4.2724 -4.2724 -4.1946 -4.1946 -0.6813 -0.6813 -0.2644 -0.2644 3.6859 3.6859 4.4587 4.4587 5.1372 5.1372 5.2800 5.2800 5.3357 5.3357 5.4421 5.4421 5.5544 5.5544 5.6418 5.6418 5.7158 5.7158 5.7363 5.7363 5.8045 5.8045 5.8503 5.8503 6.5378 6.5378 6.8765 6.8765 7.1759 7.1759 7.4123 7.4123 8.5890 8.5890 8.6314 8.6314 10.7193 10.7193 11.3920 11.3920 11.7110 11.7110 k = 0.4375 0.2526-0.0000 ( 6152 PWs) bands (ev): -19.5720 -19.5720 -19.5632 -19.5632 -6.3293 -6.3293 -6.3094 -6.3094 -4.4914 -4.4914 -4.4514 -4.4514 -4.2732 -4.2732 -4.1945 -4.1945 -0.6811 -0.6811 -0.2437 -0.2437 3.6504 3.6504 4.4495 4.4495 5.1331 5.1331 5.2914 5.2914 5.3422 5.3422 5.4432 5.4432 5.5520 5.5520 5.6435 5.6435 5.7051 5.7051 5.7317 5.7317 5.7980 5.7980 5.8459 5.8459 6.5103 6.5103 6.8858 6.8858 7.1761 7.1761 7.4406 7.4406 8.5426 8.5426 8.6130 8.6130 10.7498 10.7498 11.3908 11.3908 11.7104 11.7104 k = 0.4500 0.2598-0.0000 ( 6152 PWs) bands (ev): -19.5717 -19.5717 -19.5629 -19.5629 -6.3300 -6.3300 -6.3110 -6.3110 -4.4942 -4.4942 -4.4524 -4.4524 -4.2737 -4.2737 -4.1945 -4.1945 -0.6810 -0.6810 -0.2262 -0.2262 3.6207 3.6207 4.4420 4.4420 5.1294 5.1294 5.3006 5.3006 5.3478 5.3478 5.4442 5.4442 5.5497 5.5497 5.6453 5.6453 5.6926 5.6926 5.7308 5.7308 5.7926 5.7926 5.8434 5.8434 6.4872 6.4872 6.8921 6.8921 7.1736 7.1736 7.4716 7.4716 8.5000 8.5000 8.5986 8.5986 10.7757 10.7757 11.3913 11.3913 11.7091 11.7091 k = 0.4625 0.2670-0.0000 ( 6152 PWs) bands (ev): -19.5714 -19.5714 -19.5627 -19.5627 -6.3306 -6.3306 -6.3123 -6.3123 -4.4965 -4.4965 -4.4532 -4.4532 -4.2741 -4.2741 -4.1945 -4.1945 -0.6810 -0.6810 -0.2123 -0.2123 3.5972 3.5972 4.4360 4.4360 5.1265 5.1265 5.3077 5.3077 5.3527 5.3527 5.4451 5.4451 5.5478 5.5478 5.6475 5.6475 5.6813 5.6813 5.7309 5.7309 5.7883 5.7883 5.8419 5.8419 6.4687 6.4687 6.8962 6.8962 7.1702 7.1702 7.5011 7.5011 8.4636 8.4636 8.5875 8.5875 10.7964 10.7964 11.3927 11.3927 11.7078 11.7078 k = 0.4750 0.2742-0.0000 ( 6160 PWs) bands (ev): -19.5713 -19.5713 -19.5625 -19.5625 -6.3310 -6.3310 -6.3132 -6.3132 -4.4982 -4.4982 -4.4537 -4.4537 -4.2743 -4.2743 -4.1945 -4.1945 -0.6810 -0.6810 -0.2021 -0.2021 3.5803 3.5803 4.4317 4.4317 5.1243 5.1243 5.3124 5.3124 5.3566 5.3566 5.4457 5.4457 5.5462 5.5462 5.6500 5.6500 5.6721 5.6721 5.7313 5.7313 5.7852 5.7852 5.8410 5.8410 6.4553 6.4553 6.8988 6.8988 7.1670 7.1670 7.5254 7.5254 8.4355 8.4355 8.5796 8.5796 10.8117 10.8117 11.3943 11.3943 11.7066 11.7066 k = 0.4875 0.2815-0.0000 ( 6176 PWs) bands (ev): -19.5712 -19.5712 -19.5625 -19.5625 -6.3313 -6.3313 -6.3137 -6.3137 -4.4992 -4.4992 -4.4540 -4.4540 -4.2744 -4.2744 -4.1944 -4.1944 -0.6810 -0.6810 -0.1960 -0.1960 3.5700 3.5700 4.4292 4.4292 5.1229 5.1229 5.3151 5.3151 5.3591 5.3591 5.4461 5.4461 5.5451 5.5451 5.6529 5.6529 5.6651 5.6651 5.7315 5.7315 5.7833 5.7833 5.8406 5.8406 6.4472 6.4472 6.9002 6.9002 7.1649 7.1649 7.5413 7.5413 8.4177 8.4177 8.5748 8.5748 10.8210 10.8210 11.3956 11.3956 11.7058 11.7058 k = 0.5000 0.2887-0.0000 ( 6182 PWs) bands (ev): -19.5711 -19.5711 -19.5624 -19.5624 -6.3313 -6.3313 -6.3139 -6.3139 -4.4996 -4.4996 -4.4541 -4.4541 -4.2745 -4.2745 -4.1944 -4.1944 -0.6811 -0.6811 -0.1939 -0.1939 3.5666 3.5666 4.4283 4.4283 5.1224 5.1224 5.3160 5.3160 5.3599 5.3599 5.4463 5.4463 5.5448 5.5448 5.6549 5.6549 5.6617 5.6617 5.7316 5.7316 5.7826 5.7826 5.8404 5.8404 6.4444 6.4444 6.9007 6.9007 7.1641 7.1641 7.5468 7.5468 8.4115 8.4115 8.5733 8.5733 10.8241 10.8241 11.3961 11.3961 11.7055 11.7055 k = 0.5000 0.2887-0.0000 ( 6182 PWs) bands (ev): -19.5711 -19.5711 -19.5624 -19.5624 -6.3313 -6.3313 -6.3139 -6.3139 -4.4996 -4.4996 -4.4541 -4.4541 -4.2745 -4.2745 -4.1944 -4.1944 -0.6811 -0.6811 -0.1939 -0.1939 3.5666 3.5666 4.4283 4.4283 5.1224 5.1224 5.3160 5.3160 5.3599 5.3599 5.4463 5.4463 5.5448 5.5448 5.6549 5.6549 5.6617 5.6617 5.7316 5.7316 5.7826 5.7826 5.8404 5.8404 6.4444 6.4444 6.9007 6.9007 7.1641 7.1641 7.5468 7.5468 8.4115 8.4115 8.5733 8.5733 10.8241 10.8241 11.3961 11.3961 11.7055 11.7055 k = 0.4928 0.3012-0.0000 ( 6170 PWs) bands (ev): -19.5711 -19.5711 -19.5624 -19.5624 -6.3313 -6.3313 -6.3139 -6.3139 -4.4994 -4.4994 -4.4540 -4.4540 -4.2748 -4.2748 -4.1948 -4.1948 -0.6801 -0.6801 -0.1942 -0.1942 3.5682 3.5682 4.4261 4.4261 5.1232 5.1232 5.3168 5.3168 5.3601 5.3601 5.4457 5.4457 5.5450 5.5450 5.6548 5.6548 5.6614 5.6614 5.7318 5.7318 5.7828 5.7828 5.8401 5.8401 6.4443 6.4443 6.9015 6.9015 7.1527 7.1527 7.5439 7.5439 8.4139 8.4139 8.5868 8.5868 10.8269 10.8269 11.3508 11.3508 11.7470 11.7470 k = 0.4855 0.3138-0.0000 ( 6166 PWs) bands (ev): -19.5711 -19.5711 -19.5624 -19.5624 -6.3314 -6.3314 -6.3140 -6.3140 -4.4991 -4.4991 -4.4536 -4.4536 -4.2757 -4.2757 -4.1957 -4.1957 -0.6774 -0.6774 -0.1952 -0.1952 3.5729 3.5729 4.4194 4.4194 5.1255 5.1255 5.3188 5.3188 5.3606 5.3606 5.4441 5.4441 5.5455 5.5455 5.6545 5.6545 5.6604 5.6604 5.7321 5.7321 5.7833 5.7833 5.8390 5.8390 6.4438 6.4438 6.9042 6.9042 7.1192 7.1192 7.5363 7.5363 8.4211 8.4211 8.6260 8.6260 10.8349 10.8349 11.2557 11.2557 11.7883 11.7883 k = 0.4783 0.3263-0.0000 ( 6158 PWs) bands (ev): -19.5710 -19.5710 -19.5623 -19.5623 -6.3314 -6.3314 -6.3141 -6.3141 -4.4986 -4.4986 -4.4529 -4.4529 -4.2772 -4.2772 -4.1973 -4.1973 -0.6729 -0.6729 -0.1968 -0.1968 3.5807 3.5807 4.4086 4.4086 5.1291 5.1291 5.3218 5.3218 5.3615 5.3615 5.4415 5.4415 5.5463 5.5463 5.6541 5.6541 5.6587 5.6587 5.7326 5.7326 5.7842 5.7842 5.8371 5.8371 6.4429 6.4429 6.9085 6.9085 7.0662 7.0662 7.5258 7.5258 8.4330 8.4330 8.6865 8.6865 10.8466 10.8466 11.1486 11.1486 11.8195 11.8195 k = 0.4710 0.3389-0.0000 ( 6154 PWs) bands (ev): -19.5710 -19.5710 -19.5623 -19.5623 -6.3314 -6.3314 -6.3143 -6.3143 -4.4978 -4.4978 -4.4519 -4.4519 -4.2793 -4.2793 -4.1994 -4.1994 -0.6667 -0.6667 -0.1990 -0.1990 3.5915 3.5915 4.3940 4.3940 5.1342 5.1342 5.3252 5.3252 5.3630 5.3630 5.4384 5.4384 5.5471 5.5471 5.6537 5.6537 5.6564 5.6564 5.7332 5.7332 5.7854 5.7854 5.8346 5.8346 6.4416 6.4416 6.9141 6.9141 6.9977 6.9977 7.5143 7.5143 8.4493 8.4493 8.7634 8.7634 10.8562 10.8562 11.0457 11.0457 11.8599 11.8599 k = 0.4638 0.3514-0.0000 ( 6144 PWs) bands (ev): -19.5709 -19.5709 -19.5622 -19.5622 -6.3314 -6.3314 -6.3146 -6.3146 -4.4969 -4.4969 -4.4506 -4.4506 -4.2820 -4.2820 -4.2021 -4.2021 -0.6588 -0.6588 -0.2019 -0.2019 3.6053 3.6053 4.3761 4.3761 5.1404 5.1404 5.3284 5.3284 5.3648 5.3648 5.4349 5.4349 5.5479 5.5479 5.6529 5.6529 5.6537 5.6537 5.7339 5.7339 5.7871 5.7871 5.8316 5.8316 6.4395 6.4395 6.9076 6.9076 6.9312 6.9312 7.5024 7.5024 8.4702 8.4702 8.8523 8.8523 10.8385 10.8385 10.9749 10.9749 11.9100 11.9100 k = 0.4565 0.3640-0.0000 ( 6142 PWs) bands (ev): -19.5708 -19.5708 -19.5621 -19.5621 -6.3315 -6.3315 -6.3149 -6.3149 -4.4958 -4.4958 -4.4490 -4.4490 -4.2852 -4.2852 -4.2052 -4.2052 -0.6492 -0.6492 -0.2054 -0.2054 3.6220 3.6220 4.3554 4.3554 5.1478 5.1478 5.3310 5.3310 5.3668 5.3668 5.4319 5.4319 5.5484 5.5484 5.6494 5.6494 5.6532 5.6532 5.7347 5.7347 5.7891 5.7891 5.8281 5.8281 6.4367 6.4367 6.8253 6.8253 6.9346 6.9346 7.4903 7.4903 8.4954 8.4954 8.9495 8.9495 10.7616 10.7616 10.9687 10.9687 11.9687 11.9687 k = 0.4493 0.3765-0.0000 ( 6148 PWs) bands (ev): -19.5706 -19.5706 -19.5619 -19.5619 -6.3315 -6.3315 -6.3153 -6.3153 -4.4947 -4.4947 -4.4471 -4.4471 -4.2889 -4.2889 -4.2088 -4.2088 -0.6381 -0.6381 -0.2096 -0.2096 3.6414 3.6414 4.3324 4.3324 5.1561 5.1561 5.3323 5.3323 5.3680 5.3680 5.4300 5.4300 5.5486 5.5486 5.6449 5.6449 5.6532 5.6532 5.7353 5.7353 5.7915 5.7915 5.8242 5.8242 6.4328 6.4328 6.7329 6.7329 6.9457 6.9457 7.4780 7.4780 8.5247 8.5247 9.0524 9.0524 10.6604 10.6604 10.9915 10.9915 12.0341 12.0341 k = 0.4420 0.3891-0.0000 ( 6140 PWs) bands (ev): -19.5705 -19.5705 -19.5618 -19.5618 -6.3316 -6.3316 -6.3157 -6.3157 -4.4934 -4.4934 -4.4449 -4.4449 -4.2931 -4.2931 -4.2126 -4.2126 -0.6255 -0.6255 -0.2145 -0.2145 3.6633 3.6633 4.3078 4.3078 5.1652 5.1652 5.3323 5.3323 5.3674 5.3674 5.4302 5.4302 5.5483 5.5483 5.6398 5.6398 5.6534 5.6534 5.7360 5.7360 5.7943 5.7943 5.8200 5.8200 6.4275 6.4275 6.6391 6.6391 6.9588 6.9588 7.4653 7.4653 8.5581 8.5581 9.1592 9.1592 10.5555 10.5555 11.0211 11.0211 12.1004 12.1004 k = 0.4348 0.4016-0.0000 ( 6134 PWs) bands (ev): -19.5703 -19.5703 -19.5616 -19.5616 -6.3317 -6.3317 -6.3161 -6.3161 -4.4921 -4.4921 -4.4425 -4.4425 -4.2977 -4.2977 -4.2168 -4.2168 -0.6117 -0.6117 -0.2200 -0.2200 3.6875 3.6875 4.2821 4.2821 5.1748 5.1748 5.3306 5.3306 5.3643 5.3643 5.4328 5.4328 5.5475 5.5475 5.6341 5.6341 5.6540 5.6540 5.7366 5.7366 5.7974 5.7974 5.8159 5.8159 6.4197 6.4197 6.5475 6.5475 6.9736 6.9736 7.4523 7.4523 8.5953 8.5953 9.2687 9.2687 10.4513 10.4513 11.0510 11.0510 12.0773 12.0773 k = 0.4275 0.4142-0.0000 ( 6122 PWs) bands (ev): -19.5701 -19.5701 -19.5615 -19.5615 -6.3318 -6.3318 -6.3166 -6.3166 -4.4908 -4.4908 -4.4397 -4.4397 -4.3026 -4.3026 -4.2211 -4.2211 -0.5966 -0.5966 -0.2262 -0.2262 3.7138 3.7138 4.2558 4.2558 5.1847 5.1847 5.3267 5.3267 5.3590 5.3590 5.4373 5.4373 5.5461 5.5461 5.6279 5.6279 5.6549 5.6549 5.7370 5.7370 5.8008 5.8008 5.8119 5.8119 6.4032 6.4032 6.4664 6.4664 6.9901 6.9901 7.4388 7.4388 8.6361 8.6361 9.3800 9.3800 10.3493 10.3493 11.0768 11.0768 12.0354 12.0354 k = 0.4203 0.4267-0.0000 ( 6136 PWs) bands (ev): -19.5700 -19.5700 -19.5613 -19.5613 -6.3319 -6.3319 -6.3171 -6.3171 -4.4895 -4.4895 -4.4366 -4.4366 -4.3079 -4.3079 -4.2255 -4.2255 -0.5804 -0.5804 -0.2330 -0.2330 3.7419 3.7419 4.2297 4.2297 5.1946 5.1946 5.3196 5.3196 5.3528 5.3528 5.4429 5.4429 5.5442 5.5442 5.6213 5.6213 5.6560 5.6560 5.7373 5.7373 5.8033 5.8033 5.8092 5.8092 6.3507 6.3507 6.4248 6.4248 7.0080 7.0080 7.4249 7.4249 8.6801 8.6801 9.4924 9.4924 10.2503 10.2503 11.0949 11.0949 12.0095 12.0095 k = 0.4130 0.4393-0.0000 ( 6140 PWs) bands (ev): -19.5698 -19.5698 -19.5611 -19.5611 -6.3320 -6.3320 -6.3177 -6.3177 -4.4884 -4.4884 -4.4333 -4.4333 -4.3134 -4.3134 -4.2300 -4.2300 -0.5634 -0.5634 -0.2405 -0.2405 3.7713 3.7713 4.2040 4.2040 5.2043 5.2043 5.3079 5.3079 5.3471 5.3471 5.4486 5.4486 5.5419 5.5419 5.6148 5.6148 5.6572 5.6572 5.7374 5.7374 5.8018 5.8018 5.8111 5.8111 6.2770 6.2770 6.4098 6.4098 7.0273 7.0273 7.4106 7.4106 8.7272 8.7272 9.6054 9.6054 10.1546 10.1546 11.1024 11.1024 12.0020 12.0020 k = 0.4058 0.4518-0.0000 ( 6142 PWs) bands (ev): -19.5696 -19.5696 -19.5610 -19.5610 -6.3321 -6.3321 -6.3182 -6.3182 -4.4873 -4.4873 -4.4297 -4.4297 -4.3191 -4.3191 -4.2343 -4.2343 -0.5456 -0.5456 -0.2487 -0.2487 3.8015 3.8015 4.1795 4.1795 5.2128 5.2128 5.2919 5.2919 5.3423 5.3423 5.4538 5.4538 5.5393 5.5393 5.6088 5.6088 5.6585 5.6585 5.7374 5.7374 5.7987 5.7987 5.8152 5.8152 6.2068 6.2068 6.3983 6.3983 7.0478 7.0478 7.3961 7.3961 8.7769 8.7769 9.7180 9.7180 10.0632 10.0632 11.0977 11.0977 12.0137 12.0137 k = 0.3986 0.4644-0.0000 ( 6144 PWs) bands (ev): -19.5694 -19.5694 -19.5608 -19.5608 -6.3322 -6.3322 -6.3188 -6.3188 -4.4864 -4.4864 -4.4258 -4.4258 -4.3250 -4.3250 -4.2384 -4.2384 -0.5273 -0.5273 -0.2574 -0.2574 3.8321 3.8321 4.1566 4.1566 5.2184 5.2184 5.2733 5.2733 5.3383 5.3383 5.4580 5.4580 5.5364 5.5364 5.6037 5.6037 5.6595 5.6595 5.7372 5.7372 5.7957 5.7957 5.8197 5.8197 6.1446 6.1446 6.3869 6.3869 7.0692 7.0692 7.3814 7.3814 8.8288 8.8288 9.8262 9.8262 9.9802 9.9802 11.0814 11.0814 12.0421 12.0421 k = 0.3913 0.4769-0.0000 ( 6154 PWs) bands (ev): -19.5692 -19.5692 -19.5606 -19.5606 -6.3324 -6.3324 -6.3194 -6.3194 -4.4856 -4.4856 -4.4218 -4.4218 -4.3309 -4.3309 -4.2423 -4.2423 -0.5086 -0.5086 -0.2667 -0.2667 3.8621 3.8621 4.1358 4.1358 5.2145 5.2145 5.2589 5.2589 5.3346 5.3346 5.4612 5.4612 5.5332 5.5332 5.6000 5.6000 5.6601 5.6601 5.7368 5.7368 5.7931 5.7931 5.8243 5.8243 6.0917 6.0917 6.3752 6.3752 7.0914 7.0914 7.3666 7.3666 8.8825 8.8825 9.8638 9.8638 9.9714 9.9714 11.0552 11.0552 12.0319 12.0319 k = 0.3841 0.4895-0.0000 ( 6154 PWs) bands (ev): -19.5691 -19.5691 -19.5605 -19.5605 -6.3325 -6.3325 -6.3199 -6.3199 -4.4850 -4.4850 -4.4175 -4.4175 -4.3368 -4.3368 -4.2458 -4.2458 -0.4899 -0.4899 -0.2766 -0.2766 3.8907 3.8907 4.1178 4.1178 5.1940 5.1940 5.2566 5.2566 5.3313 5.3313 5.4636 5.4636 5.5298 5.5298 5.5980 5.5980 5.6602 5.6602 5.7364 5.7364 5.7910 5.7910 5.8286 5.8286 6.0486 6.0486 6.3632 6.3632 7.1141 7.1141 7.3518 7.3518 8.9377 8.9377 9.7937 9.7937 10.0737 10.0737 11.0219 11.0219 11.9544 11.9544 k = 0.3768 0.5020-0.0000 ( 6160 PWs) bands (ev): -19.5689 -19.5689 -19.5603 -19.5603 -6.3326 -6.3326 -6.3205 -6.3205 -4.4846 -4.4846 -4.4131 -4.4131 -4.3427 -4.3427 -4.2490 -4.2490 -0.4712 -0.4712 -0.2868 -0.2868 3.9165 3.9165 4.1032 4.1032 5.1643 5.1643 5.2604 5.2604 5.3283 5.3283 5.4652 5.4652 5.5262 5.5262 5.5976 5.5976 5.6597 5.6597 5.7360 5.7360 5.7894 5.7894 5.8322 5.8322 6.0150 6.0150 6.3512 6.3512 7.1368 7.1368 7.3371 7.3371 8.9937 8.9937 9.7173 9.7173 10.1850 10.1850 10.9840 10.9840 11.8735 11.8735 k = 0.3696 0.5146-0.0000 ( 6154 PWs) bands (ev): -19.5688 -19.5688 -19.5602 -19.5602 -6.3328 -6.3328 -6.3210 -6.3210 -4.4843 -4.4843 -4.4087 -4.4087 -4.3484 -4.3484 -4.2517 -4.2517 -0.4531 -0.4531 -0.2974 -0.2974 3.9382 3.9382 4.0929 4.0929 5.1323 5.1323 5.2651 5.2651 5.3258 5.3258 5.4665 5.4665 5.5226 5.5226 5.5988 5.5988 5.6585 5.6585 5.7357 5.7357 5.7882 5.7882 5.8349 5.8349 5.9902 5.9902 6.3396 6.3396 7.1592 7.1592 7.3227 7.3227 9.0501 9.0501 9.6433 9.6433 10.2957 10.2957 10.9436 10.9436 11.7937 11.7937 k = 0.3623 0.5271-0.0000 ( 6148 PWs) bands (ev): -19.5687 -19.5687 -19.5601 -19.5601 -6.3329 -6.3329 -6.3214 -6.3214 -4.4841 -4.4841 -4.4043 -4.4043 -4.3539 -4.3539 -4.2540 -4.2540 -0.4358 -0.4358 -0.3081 -0.3081 3.9544 3.9544 4.0873 4.0873 5.1016 5.1016 5.2693 5.2693 5.3238 5.3238 5.4677 5.4677 5.5192 5.5192 5.6009 5.6009 5.6566 5.6566 5.7356 5.7356 5.7872 5.7872 5.8364 5.8364 5.9732 5.9732 6.3288 6.3288 7.1808 7.1808 7.3086 7.3086 9.1064 9.1064 9.5729 9.5729 10.4027 10.4027 10.9029 10.9029 11.7176 11.7176 k = 0.3551 0.5397-0.0000 ( 6144 PWs) bands (ev): -19.5686 -19.5686 -19.5600 -19.5600 -6.3330 -6.3330 -6.3218 -6.3218 -4.4841 -4.4841 -4.4000 -4.4000 -4.3589 -4.3589 -4.2557 -4.2557 -0.4199 -0.4199 -0.3185 -0.3185 3.9647 3.9647 4.0860 4.0860 5.0748 5.0748 5.2723 5.2723 5.3225 5.3225 5.4686 5.4686 5.5162 5.5162 5.6036 5.6036 5.6543 5.6543 5.7355 5.7355 5.7866 5.7866 5.8369 5.8369 5.9626 5.9626 6.3193 6.3193 7.2010 7.2010 7.2951 7.2951 9.1621 9.1621 9.5065 9.5065 10.5025 10.5025 10.8636 10.8636 11.6484 11.6484 k = 0.3478 0.5522-0.0000 ( 6146 PWs) bands (ev): -19.5685 -19.5685 -19.5599 -19.5599 -6.3331 -6.3331 -6.3221 -6.3221 -4.4842 -4.4842 -4.3963 -4.3963 -4.3632 -4.3632 -4.2569 -4.2569 -0.4063 -0.4063 -0.3280 -0.3280 3.9701 3.9701 4.0874 4.0874 5.0543 5.0543 5.2742 5.2742 5.3218 5.3218 5.4695 5.4695 5.5139 5.5139 5.6064 5.6064 5.6519 5.6519 5.7356 5.7356 5.7861 5.7861 5.8366 5.8366 5.9568 5.9568 6.3117 6.3117 7.2191 7.2191 7.2824 7.2824 9.2164 9.2164 9.4446 9.4446 10.5887 10.5887 10.8286 10.8286 11.5907 11.5907 k = 0.3406 0.5648-0.0000 ( 6160 PWs) bands (ev): -19.5684 -19.5684 -19.5599 -19.5599 -6.3331 -6.3331 -6.3223 -6.3223 -4.4842 -4.4842 -4.3935 -4.3935 -4.3664 -4.3664 -4.2577 -4.2577 -0.3965 -0.3965 -0.3352 -0.3352 3.9722 3.9722 4.0893 4.0893 5.0414 5.0414 5.2751 5.2751 5.3215 5.3215 5.4700 5.4700 5.5124 5.5124 5.6085 5.6085 5.6500 5.6500 5.7357 5.7357 5.7859 5.7859 5.8360 5.8360 5.9541 5.9541 6.3068 6.3068 7.2334 7.2334 7.2717 7.2717 9.2677 9.2677 9.3888 9.3888 10.6499 10.6499 10.8037 10.8037 11.5508 11.5508 k = 0.3333 0.5774-0.0000 ( 6162 PWs) bands (ev): -19.5684 -19.5684 -19.5598 -19.5598 -6.3331 -6.3331 -6.3223 -6.3223 -4.4843 -4.4843 -4.3925 -4.3925 -4.3675 -4.3675 -4.2579 -4.2579 -0.3929 -0.3929 -0.3379 -0.3379 3.9727 3.9727 4.0901 4.0901 5.0371 5.0371 5.2754 5.2754 5.3215 5.3215 5.4702 5.4702 5.5119 5.5119 5.6094 5.6094 5.6492 5.6492 5.7357 5.7357 5.7857 5.7857 5.8357 5.8357 5.9534 5.9534 6.3050 6.3050 7.2396 7.2396 7.2669 7.2669 9.3002 9.3002 9.3547 9.3547 10.6707 10.6707 10.7966 10.7966 11.5360 11.5360 k = 0.3333 0.5774-0.0000 ( 6162 PWs) bands (ev): -19.5684 -19.5684 -19.5598 -19.5598 -6.3331 -6.3331 -6.3223 -6.3223 -4.4843 -4.4843 -4.3925 -4.3925 -4.3675 -4.3675 -4.2579 -4.2579 -0.3929 -0.3929 -0.3379 -0.3379 3.9727 3.9727 4.0901 4.0901 5.0371 5.0371 5.2754 5.2754 5.3215 5.3215 5.4702 5.4702 5.5119 5.5119 5.6094 5.6094 5.6492 5.6492 5.7357 5.7357 5.7857 5.7857 5.8357 5.8357 5.9534 5.9534 6.3050 6.3050 7.2396 7.2396 7.2669 7.2669 9.3002 9.3002 9.3547 9.3547 10.6707 10.6707 10.7966 10.7966 11.5360 11.5360 k = 0.3261 0.5648-0.0000 ( 6166 PWs) bands (ev): -19.5684 -19.5684 -19.5599 -19.5599 -6.3331 -6.3331 -6.3223 -6.3223 -4.4842 -4.4842 -4.3935 -4.3935 -4.3664 -4.3664 -4.2577 -4.2577 -0.3962 -0.3962 -0.3355 -0.3355 3.9723 3.9723 4.0895 4.0895 5.0413 5.0413 5.2752 5.2752 5.3214 5.3214 5.4700 5.4700 5.5123 5.5123 5.6084 5.6084 5.6500 5.6500 5.7356 5.7356 5.7858 5.7858 5.8360 5.8360 5.9539 5.9539 6.3069 6.3069 7.2346 7.2346 7.2704 7.2704 9.2701 9.2701 9.3864 9.3864 10.6577 10.6577 10.7948 10.7948 11.5515 11.5515 k = 0.3188 0.5522-0.0000 ( 6158 PWs) bands (ev): -19.5685 -19.5685 -19.5599 -19.5599 -6.3330 -6.3330 -6.3220 -6.3220 -4.4840 -4.4840 -4.3960 -4.3960 -4.3635 -4.3635 -4.2570 -4.2570 -0.4043 -0.4043 -0.3304 -0.3304 3.9712 3.9712 4.0884 4.0884 5.0531 5.0531 5.2750 5.2750 5.3213 5.3213 5.4696 5.4696 5.5137 5.5137 5.6058 5.6058 5.6526 5.6526 5.7355 5.7355 5.7860 5.7860 5.8371 5.8371 5.9556 5.9556 6.3128 6.3128 7.2251 7.2251 7.2750 7.2750 9.2270 9.2270 9.4345 9.4345 10.6318 10.6318 10.7777 10.7777 11.5950 11.5950 k = 0.3116 0.5397-0.0000 ( 6158 PWs) bands (ev): -19.5686 -19.5686 -19.5600 -19.5600 -6.3329 -6.3329 -6.3217 -6.3217 -4.4836 -4.4836 -4.3994 -4.3994 -4.3596 -4.3596 -4.2559 -4.2559 -0.4147 -0.4147 -0.3252 -0.3252 3.9688 3.9688 4.0885 4.0885 5.0711 5.0711 5.2747 5.2747 5.3208 5.3208 5.4691 5.4691 5.5156 5.5156 5.6020 5.6020 5.6562 5.6562 5.7352 5.7352 5.7861 5.7861 5.8387 5.8387 5.9588 5.9588 6.3228 6.3228 7.2147 7.2147 7.2766 7.2766 9.1863 9.1863 9.4840 9.4840 10.6023 10.6023 10.7427 10.7427 11.6562 11.6562 k = 0.3043 0.5271-0.0000 ( 6150 PWs) bands (ev): -19.5687 -19.5687 -19.5601 -19.5601 -6.3327 -6.3327 -6.3211 -6.3211 -4.4829 -4.4829 -4.4030 -4.4030 -4.3552 -4.3552 -4.2545 -4.2545 -0.4262 -0.4262 -0.3213 -0.3213 3.9650 3.9650 4.0916 4.0916 5.0933 5.0933 5.2747 5.2747 5.3202 5.3202 5.4688 5.4688 5.5180 5.5180 5.5980 5.5980 5.6604 5.6604 5.7350 5.7350 5.7862 5.7862 5.8407 5.8407 5.9647 5.9647 6.3369 6.3369 7.2044 7.2044 7.2739 7.2739 9.1494 9.1494 9.5340 9.5340 10.5708 10.5708 10.6963 10.6963 11.7198 11.7198 k = 0.2971 0.5146-0.0000 ( 6148 PWs) bands (ev): -19.5689 -19.5689 -19.5603 -19.5603 -6.3324 -6.3324 -6.3203 -6.3203 -4.4820 -4.4820 -4.4067 -4.4067 -4.3505 -4.3505 -4.2528 -4.2528 -0.4381 -0.4381 -0.3194 -0.3194 3.9599 3.9599 4.0989 4.0989 5.1178 5.1178 5.2750 5.2750 5.3192 5.3192 5.4684 5.4684 5.5205 5.5205 5.5946 5.5946 5.6646 5.6646 5.7348 5.7348 5.7862 5.7862 5.8426 5.8426 5.9745 5.9745 6.3547 6.3547 7.1944 7.1944 7.2661 7.2661 9.1169 9.1169 9.5846 9.5846 10.5357 10.5357 10.6464 10.6464 11.7683 11.7683 k = 0.2899 0.5020-0.0000 ( 6151 PWs) bands (ev): -19.5691 -19.5691 -19.5605 -19.5605 -6.3321 -6.3321 -6.3194 -6.3194 -4.4806 -4.4806 -4.4104 -4.4104 -4.3457 -4.3457 -4.2507 -4.2507 -0.4500 -0.4500 -0.3200 -0.3200 3.9545 3.9545 4.1107 4.1107 5.1423 5.1423 5.2755 5.2755 5.3182 5.3182 5.4676 5.4676 5.5230 5.5230 5.5931 5.5931 5.6685 5.6685 5.7347 5.7347 5.7859 5.7859 5.8442 5.8442 5.9897 5.9897 6.3762 6.3762 7.1849 7.1849 7.2530 7.2530 9.0889 9.0889 9.6364 9.6364 10.4927 10.4927 10.6019 10.6019 11.7862 11.7862 k = 0.2826 0.4895-0.0000 ( 6153 PWs) bands (ev): -19.5694 -19.5694 -19.5608 -19.5608 -6.3316 -6.3316 -6.3182 -6.3182 -4.4789 -4.4789 -4.4140 -4.4140 -4.3408 -4.3408 -4.2485 -4.2485 -0.4618 -0.4618 -0.3234 -0.3234 3.9498 3.9498 4.1268 4.1268 5.1649 5.1649 5.2763 5.2763 5.3171 5.3171 5.4656 5.4656 5.5254 5.5254 5.5948 5.5948 5.6716 5.6716 5.7350 5.7350 5.7856 5.7856 5.8455 5.8455 6.0113 6.0113 6.4008 6.4008 7.1757 7.1757 7.2345 7.2345 9.0654 9.0654 9.6899 9.6899 10.4390 10.4390 10.5682 10.5682 11.7692 11.7692 k = 0.2754 0.4769-0.0000 ( 6151 PWs) bands (ev): -19.5697 -19.5697 -19.5610 -19.5610 -6.3311 -6.3311 -6.3168 -6.3168 -4.4768 -4.4768 -4.4174 -4.4174 -4.3358 -4.3358 -4.2460 -4.2460 -0.4732 -0.4732 -0.3297 -0.3297 3.9471 3.9471 4.1468 4.1468 5.1837 5.1837 5.2773 5.2773 5.3164 5.3164 5.4615 5.4615 5.5277 5.5277 5.6010 5.6010 5.6740 5.6740 5.7358 5.7358 5.7852 5.7852 5.8468 5.8468 6.0399 6.0399 6.4284 6.4284 7.1669 7.1669 7.2106 7.2106 9.0465 9.0465 9.7455 9.7455 10.3770 10.3770 10.5445 10.5445 11.7254 11.7254 k = 0.2681 0.4644-0.0000 ( 6159 PWs) bands (ev): -19.5700 -19.5700 -19.5614 -19.5614 -6.3304 -6.3304 -6.3151 -6.3151 -4.4741 -4.4741 -4.4206 -4.4206 -4.3307 -4.3307 -4.2434 -4.2434 -0.4842 -0.4842 -0.3391 -0.3391 3.9473 3.9473 4.1701 4.1701 5.1977 5.1977 5.2782 5.2782 5.3165 5.3165 5.4545 5.4545 5.5300 5.5300 5.6122 5.6122 5.6755 5.6755 5.7372 5.7372 5.7848 5.7848 5.8486 5.8486 6.0758 6.0758 6.4588 6.4588 7.1576 7.1576 7.1823 7.1823 9.0323 9.0323 9.8036 9.8036 10.3112 10.3112 10.5280 10.5280 11.6653 11.6653 k = 0.2609 0.4518-0.0000 ( 6167 PWs) bands (ev): -19.5705 -19.5705 -19.5618 -19.5618 -6.3297 -6.3297 -6.3133 -6.3133 -4.4711 -4.4711 -4.4237 -4.4237 -4.3256 -4.3256 -4.2407 -4.2407 -0.4947 -0.4947 -0.3517 -0.3517 3.9513 3.9513 4.1965 4.1965 5.2065 5.2065 5.2786 5.2786 5.3181 5.3181 5.4445 5.4445 5.5321 5.5321 5.6281 5.6281 5.6761 5.6761 5.7394 5.7394 5.7847 5.7847 5.8514 5.8514 6.1188 6.1188 6.4916 6.4916 7.1395 7.1395 7.1583 7.1583 9.0228 9.0228 9.8642 9.8642 10.2443 10.2443 10.5167 10.5167 11.5962 11.5962 k = 0.2536 0.4393-0.0000 ( 6163 PWs) bands (ev): -19.5709 -19.5709 -19.5622 -19.5622 -6.3288 -6.3288 -6.3112 -6.3112 -4.4676 -4.4676 -4.4267 -4.4267 -4.3204 -4.3204 -4.2379 -4.2379 -0.5046 -0.5046 -0.3673 -0.3673 3.9594 3.9594 4.2253 4.2253 5.2103 5.2103 5.2780 5.2780 5.3215 5.3215 5.4319 5.4319 5.5341 5.5341 5.6473 5.6473 5.6759 5.6759 5.7426 5.7426 5.7852 5.7852 5.8557 5.8557 6.1686 6.1686 6.5268 6.5268 7.1028 7.1028 7.1486 7.1486 9.0179 9.0179 9.9263 9.9263 10.1790 10.1790 10.5097 10.5097 11.5224 11.5224 k = 0.2464 0.4267-0.0000 ( 6161 PWs) bands (ev): -19.5714 -19.5714 -19.5627 -19.5627 -6.3279 -6.3279 -6.3088 -6.3088 -4.4637 -4.4637 -4.4293 -4.4293 -4.3150 -4.3150 -4.2351 -4.2351 -0.5138 -0.5138 -0.3859 -0.3859 3.9719 3.9719 4.2564 4.2564 5.2099 5.2099 5.2761 5.2761 5.3266 5.3266 5.4175 5.4175 5.5360 5.5360 5.6671 5.6671 5.6759 5.6759 5.7471 5.7471 5.7870 5.7870 5.8618 5.8618 6.2246 6.2246 6.5641 6.5641 7.0591 7.0591 7.1423 7.1423 9.0177 9.0177 9.9849 9.9849 10.1212 10.1212 10.5064 10.5064 11.4464 11.4464 k = 0.2391 0.4142-0.0000 ( 6169 PWs) bands (ev): -19.5719 -19.5719 -19.5632 -19.5632 -6.3269 -6.3269 -6.3062 -6.3062 -4.4597 -4.4597 -4.4315 -4.4315 -4.3096 -4.3096 -4.2322 -4.2322 -0.5224 -0.5224 -0.4075 -0.4075 3.9890 3.9890 4.2893 4.2893 5.2061 5.2061 5.2729 5.2729 5.3330 5.3330 5.4020 5.4020 5.5377 5.5377 5.6726 5.6726 5.6886 5.6886 5.7528 5.7528 5.7916 5.7916 5.8699 5.8699 6.2861 6.2861 6.6035 6.6035 7.0112 7.0112 7.1373 7.1373 9.0222 9.0222 10.0034 10.0034 10.1080 10.1080 10.5067 10.5067 11.3695 11.3695 k = 0.2319 0.4016-0.0000 ( 6169 PWs) bands (ev): -19.5725 -19.5725 -19.5637 -19.5637 -6.3258 -6.3258 -6.3034 -6.3034 -4.4559 -4.4559 -4.4329 -4.4329 -4.3040 -4.3040 -4.2294 -4.2294 -0.5303 -0.5303 -0.4318 -0.4318 4.0106 4.0106 4.3236 4.3236 5.1996 5.1996 5.2687 5.2687 5.3399 5.3399 5.3862 5.3862 5.5394 5.5394 5.6711 5.6711 5.7045 5.7045 5.7588 5.7588 5.8021 5.8021 5.8805 5.8805 6.3520 6.3520 6.6448 6.6448 6.9601 6.9601 7.1335 7.1335 9.0312 9.0312 9.9574 9.9574 10.1639 10.1639 10.5105 10.5105 11.2926 11.2926 k = 0.2246 0.3891-0.0000 ( 6173 PWs) bands (ev): -19.5732 -19.5732 -19.5643 -19.5643 -6.3246 -6.3246 -6.3003 -6.3003 -4.4531 -4.4531 -4.4326 -4.4326 -4.2982 -4.2982 -4.2266 -4.2266 -0.5378 -0.5378 -0.4585 -0.4585 4.0366 4.0366 4.3590 4.3590 5.1910 5.1910 5.2635 5.2635 5.3456 5.3456 5.3722 5.3722 5.5410 5.5410 5.6690 5.6690 5.7158 5.7158 5.7631 5.7631 5.8211 5.8211 5.8940 5.8940 6.4212 6.4212 6.6877 6.6877 6.9069 6.9069 7.1309 7.1309 9.0449 9.0449 9.8986 9.8986 10.2369 10.2369 10.5178 10.5178 11.2163 11.2163 k = 0.2174 0.3765-0.0000 ( 6175 PWs) bands (ev): -19.5738 -19.5738 -19.5649 -19.5649 -6.3234 -6.3234 -6.2970 -6.2970 -4.4523 -4.4523 -4.4298 -4.4298 -4.2922 -4.2922 -4.2239 -4.2239 -0.5450 -0.5450 -0.4871 -0.4871 4.0669 4.0669 4.3950 4.3950 5.1807 5.1807 5.2573 5.2573 5.3431 5.3431 5.3670 5.3670 5.5427 5.5427 5.6666 5.6666 5.7230 5.7230 5.7658 5.7658 5.8478 5.8478 5.9108 5.9108 6.4918 6.4918 6.7314 6.7314 6.8540 6.8540 7.1298 7.1298 9.0630 9.0630 9.8388 9.8388 10.3145 10.3145 10.5292 10.5292 11.1410 11.1410 k = 0.2101 0.3640-0.0000 ( 6167 PWs) bands (ev): -19.5745 -19.5745 -19.5656 -19.5656 -6.3221 -6.3221 -6.2935 -6.2935 -4.4533 -4.4533 -4.4246 -4.4246 -4.2861 -4.2861 -4.2213 -4.2213 -0.5535 -0.5535 -0.5159 -0.5159 4.1010 4.1010 4.4313 4.4313 5.1690 5.1690 5.2498 5.2498 5.3310 5.3310 5.3724 5.3724 5.5447 5.5447 5.6641 5.6641 5.7273 5.7273 5.7679 5.7679 5.8798 5.8798 5.9316 5.9316 6.5599 6.5599 6.7675 6.7675 6.8134 6.8134 7.1304 7.1304 9.0855 9.0855 9.7802 9.7802 10.3922 10.3922 10.5464 10.5464 11.0668 11.0668 k = 0.2029 0.3514-0.0000 ( 6159 PWs) bands (ev): -19.5753 -19.5753 -19.5663 -19.5663 -6.3207 -6.3207 -6.2898 -6.2898 -4.4554 -4.4554 -4.4177 -4.4177 -4.2797 -4.2797 -4.2187 -4.2187 -0.5695 -0.5695 -0.5384 -0.5384 4.1386 4.1386 4.4673 4.4673 5.1563 5.1563 5.2410 5.2410 5.3173 5.3173 5.3805 5.3805 5.5469 5.5469 5.6615 5.6615 5.7296 5.7296 5.7699 5.7699 5.9150 5.9150 5.9573 5.9573 6.6112 6.6112 6.7571 6.7571 6.8377 6.8377 7.1332 7.1332 9.1124 9.1124 9.7232 9.7232 10.4627 10.4627 10.5756 10.5756 10.9940 10.9940 k = 0.1957 0.3389-0.0000 ( 6173 PWs) bands (ev): -19.5760 -19.5760 -19.5670 -19.5670 -6.3193 -6.3193 -6.2859 -6.2859 -4.4581 -4.4581 -4.4098 -4.4098 -4.2730 -4.2730 -4.2162 -4.2162 -0.5987 -0.5987 -0.5487 -0.5487 4.1792 4.1792 4.5027 4.5027 5.1427 5.1427 5.2307 5.2307 5.3044 5.3044 5.3891 5.3891 5.5494 5.5494 5.6588 5.6588 5.7302 5.7302 5.7723 5.7723 5.9519 5.9519 5.9893 5.9893 6.6092 6.6092 6.7766 6.7766 6.8860 6.8860 7.1386 7.1386 9.1435 9.1435 9.6682 9.6682 10.5127 10.5127 10.6291 10.6291 10.9227 10.9227 k = 0.1884 0.3263-0.0000 ( 6177 PWs) bands (ev): -19.5768 -19.5768 -19.5678 -19.5678 -6.3179 -6.3179 -6.2819 -6.2819 -4.4611 -4.4611 -4.4010 -4.4010 -4.2662 -4.2662 -4.2138 -4.2138 -0.6340 -0.6340 -0.5536 -0.5536 4.2225 4.2225 4.5371 4.5371 5.1284 5.1284 5.2191 5.2191 5.2926 5.2926 5.3976 5.3976 5.5523 5.5523 5.6560 5.6560 5.7296 5.7296 5.7750 5.7750 5.9897 5.9897 6.0286 6.0286 6.5645 6.5645 6.8347 6.8347 6.9386 6.9386 7.1478 7.1478 9.1788 9.1788 9.6153 9.6153 10.5423 10.5423 10.7056 10.7056 10.8531 10.8531 k = 0.1812 0.3138-0.0000 ( 6177 PWs) bands (ev): -19.5776 -19.5776 -19.5685 -19.5685 -6.3165 -6.3165 -6.2777 -6.2777 -4.4643 -4.4643 -4.3916 -4.3916 -4.2591 -4.2591 -4.2116 -4.2116 -0.6719 -0.6719 -0.5566 -0.5566 4.2678 4.2678 4.5700 4.5700 5.1137 5.1137 5.2064 5.2064 5.2820 5.2820 5.4056 5.4056 5.5558 5.5558 5.6532 5.6532 5.7280 5.7280 5.7781 5.7781 6.0289 6.0289 6.0748 6.0748 6.5081 6.5081 6.8994 6.8994 6.9947 6.9947 7.1622 7.1622 9.2180 9.2180 9.5646 9.5646 10.5625 10.5625 10.7815 10.7815 10.7962 10.7962 k = 0.1739 0.3012-0.0000 ( 6177 PWs) bands (ev): -19.5785 -19.5785 -19.5693 -19.5693 -6.3151 -6.3151 -6.2734 -6.2734 -4.4677 -4.4677 -4.3816 -4.3816 -4.2518 -4.2518 -4.2094 -4.2094 -0.7111 -0.7111 -0.5584 -0.5584 4.3146 4.3146 4.6013 4.6013 5.0985 5.0985 5.1931 5.1931 5.2721 5.2721 5.4130 5.4130 5.5599 5.5599 5.6504 5.6504 5.7257 5.7257 5.7814 5.7814 6.0711 6.0711 6.1269 6.1269 6.4490 6.4490 6.9587 6.9587 7.0553 7.0553 7.1839 7.1839 9.2611 9.2611 9.5162 9.5162 10.5776 10.5776 10.7195 10.7195 10.8838 10.8838 k = 0.1667 0.2887-0.0000 ( 6181 PWs) bands (ev): -19.5793 -19.5793 -19.5701 -19.5701 -6.3137 -6.3137 -6.2690 -6.2690 -4.4712 -4.4712 -4.3710 -4.3710 -4.2443 -4.2443 -4.2074 -4.2074 -0.7513 -0.7513 -0.5594 -0.5594 4.3624 4.3624 4.6305 4.6305 5.0829 5.0829 5.1794 5.1794 5.2627 5.2627 5.4194 5.4194 5.5645 5.5645 5.6475 5.6475 5.7228 5.7228 5.7849 5.7849 6.1168 6.1168 6.1844 6.1844 6.3901 6.3901 7.0073 7.0073 7.1206 7.1206 7.2155 7.2155 9.3078 9.3078 9.4701 9.4701 10.5844 10.5844 10.6612 10.6612 10.9753 10.9753 k = 0.1594 0.2761-0.0000 ( 6193 PWs) bands (ev): -19.5802 -19.5802 -19.5710 -19.5710 -6.3123 -6.3123 -6.2646 -6.2646 -4.4747 -4.4747 -4.3600 -4.3600 -4.2366 -4.2366 -4.2054 -4.2054 -0.7921 -0.7921 -0.5596 -0.5596 4.4106 4.4106 4.6574 4.6574 5.0673 5.0673 5.1659 5.1659 5.2533 5.2533 5.4248 5.4248 5.5696 5.5696 5.6448 5.6448 5.7195 5.7195 5.7883 5.7883 6.1657 6.1657 6.2463 6.2463 6.3343 6.3343 7.0446 7.0446 7.1885 7.1885 7.2584 7.2584 9.3577 9.3577 9.4268 9.4268 10.5626 10.5626 10.6294 10.6294 11.0655 11.0655 k = 0.1522 0.2636-0.0000 ( 6195 PWs) bands (ev): -19.5811 -19.5811 -19.5718 -19.5718 -6.3110 -6.3110 -6.2601 -6.2601 -4.4783 -4.4783 -4.3486 -4.3486 -4.2288 -4.2288 -4.2035 -4.2035 -0.8332 -0.8332 -0.5593 -0.5593 4.4587 4.4587 4.6820 4.6820 5.0515 5.0515 5.1526 5.1526 5.2439 5.2439 5.4292 5.4292 5.5750 5.5750 5.6421 5.6421 5.7159 5.7159 5.7917 5.7917 6.2103 6.2103 6.2822 6.2822 6.3206 6.3206 7.0734 7.0734 7.2564 7.2564 7.3118 7.3118 9.3817 9.3817 9.4150 9.4150 10.5097 10.5097 10.6256 10.6256 11.1502 11.1502 k = 0.1449 0.2510-0.0000 ( 6195 PWs) bands (ev): -19.5819 -19.5819 -19.5726 -19.5726 -6.3097 -6.3097 -6.2556 -6.2556 -4.4819 -4.4819 -4.3370 -4.3370 -4.2208 -4.2208 -4.2017 -4.2017 -0.8744 -0.8744 -0.5584 -0.5584 4.5062 4.5062 4.7041 4.7041 5.0358 5.0358 5.1399 5.1399 5.2340 5.2340 5.4325 5.4325 5.5807 5.5807 5.6397 5.6397 5.7121 5.7121 5.7950 5.7950 6.2000 6.2000 6.3017 6.3017 6.3910 6.3910 7.0971 7.0971 7.3226 7.3226 7.3729 7.3729 9.3439 9.3439 9.4705 9.4705 10.4508 10.4508 10.6235 10.6235 11.2193 11.2193 k = 0.1377 0.2385-0.0000 ( 6197 PWs) bands (ev): -19.5828 -19.5828 -19.5734 -19.5734 -6.3084 -6.3084 -6.2511 -6.2511 -4.4855 -4.4855 -4.3250 -4.3250 -4.2128 -4.2128 -4.1999 -4.1999 -0.9153 -0.9153 -0.5571 -0.5571 4.5526 4.5526 4.7239 4.7239 5.0201 5.0201 5.1277 5.1277 5.2235 5.2235 5.4348 5.4348 5.5861 5.5861 5.6375 5.6375 5.7081 5.7081 5.7981 5.7981 6.1538 6.1538 6.3622 6.3622 6.4694 6.4694 7.1183 7.1183 7.3873 7.3873 7.4386 7.4386 9.3067 9.3067 9.5305 9.5305 10.3918 10.3918 10.6156 10.6156 11.2469 11.2469 k = 0.1304 0.2259-0.0000 ( 6201 PWs) bands (ev): -19.5837 -19.5837 -19.5742 -19.5742 -6.3072 -6.3072 -6.2467 -6.2467 -4.4890 -4.4890 -4.3130 -4.3130 -4.2048 -4.2048 -4.1981 -4.1981 -0.9558 -0.9558 -0.5553 -0.5553 4.5974 4.5974 4.7414 4.7414 5.0047 5.0047 5.1161 5.1161 5.2123 5.2123 5.4362 5.4362 5.5910 5.5910 5.6358 5.6358 5.7041 5.7041 5.8009 5.8009 6.1062 6.1062 6.4321 6.4321 6.5535 6.5535 7.1389 7.1389 7.4506 7.4506 7.5065 7.5065 9.2715 9.2715 9.5936 9.5936 10.3341 10.3341 10.5992 10.5992 11.2219 11.2219 k = 0.1232 0.2134-0.0000 ( 6187 PWs) bands (ev): -19.5845 -19.5845 -19.5750 -19.5750 -6.3061 -6.3061 -6.2423 -6.2423 -4.4925 -4.4925 -4.3009 -4.3009 -4.1975 -4.1975 -4.1956 -4.1956 -0.9956 -0.9956 -0.5532 -0.5532 4.6403 4.6403 4.7568 4.7568 4.9896 4.9896 5.1052 5.1052 5.2003 5.2003 5.4367 5.4367 5.5948 5.5948 5.6349 5.6349 5.7000 5.7000 5.8034 5.8034 6.0613 6.0613 6.5078 6.5078 6.6428 6.6428 7.1598 7.1598 7.5118 7.5118 7.5759 7.5759 9.2381 9.2381 9.6593 9.6593 10.2781 10.2781 10.5727 10.5727 11.1735 11.1735 k = 0.1159 0.2008-0.0000 ( 6191 PWs) bands (ev): -19.5853 -19.5853 -19.5758 -19.5758 -6.3051 -6.3051 -6.2380 -6.2380 -4.4959 -4.4959 -4.2889 -4.2889 -4.1949 -4.1949 -4.1883 -4.1883 -1.0345 -1.0345 -0.5509 -0.5509 4.6808 4.6808 4.7703 4.7703 4.9748 4.9748 5.0948 5.0948 5.1875 5.1875 5.4366 5.4366 5.5971 5.5971 5.6351 5.6351 5.6959 5.6959 5.8055 5.8055 6.0200 6.0200 6.5883 6.5883 6.7370 6.7370 7.1820 7.1820 7.5695 7.5695 7.6469 7.6469 9.2065 9.2065 9.7273 9.7273 10.2242 10.2242 10.5349 10.5349 11.1192 11.1192 k = 0.1087 0.1883-0.0000 ( 6195 PWs) bands (ev): -19.5861 -19.5861 -19.5766 -19.5766 -6.3041 -6.3041 -6.2339 -6.2339 -4.4992 -4.4992 -4.2771 -4.2771 -4.1930 -4.1930 -4.1805 -4.1805 -1.0722 -1.0722 -0.5484 -0.5484 4.7185 4.7185 4.7823 4.7823 4.9605 4.9605 5.0852 5.0852 5.1738 5.1738 5.4358 5.4358 5.5976 5.5976 5.6365 5.6365 5.6919 5.6919 5.8070 5.8070 5.9829 5.9829 6.6733 6.6733 6.8352 6.8352 7.2064 7.2064 7.6228 7.6228 7.7202 7.7202 9.1767 9.1767 9.7974 9.7974 10.1726 10.1726 10.4857 10.4857 11.0645 11.0645 k = 0.1014 0.1757-0.0000 ( 6191 PWs) bands (ev): -19.5869 -19.5869 -19.5773 -19.5773 -6.3032 -6.3032 -6.2299 -6.2299 -4.5024 -4.5024 -4.2658 -4.2658 -4.1909 -4.1909 -4.1727 -4.1727 -1.1087 -1.1087 -0.5457 -0.5457 4.7525 4.7525 4.7935 4.7935 4.9470 4.9470 5.0762 5.0762 5.1595 5.1595 5.4346 5.4346 5.5964 5.5964 5.6388 5.6388 5.6880 5.6880 5.8078 5.8078 5.9505 5.9505 6.7622 6.7622 6.9357 6.9357 7.2347 7.2347 7.6709 7.6709 7.7957 7.7957 9.1484 9.1484 9.8690 9.8690 10.1236 10.1236 10.4254 10.4254 11.0114 11.0114 k = 0.0942 0.1632-0.0000 ( 6199 PWs) bands (ev): -19.5877 -19.5877 -19.5780 -19.5780 -6.3024 -6.3024 -6.2260 -6.2260 -4.5054 -4.5054 -4.2550 -4.2550 -4.1885 -4.1885 -4.1651 -4.1651 -1.1437 -1.1437 -0.5429 -0.5429 4.7801 4.7801 4.8061 4.8061 4.9344 4.9344 5.0678 5.0678 5.1446 5.1446 5.4330 5.4330 5.5938 5.5938 5.6416 5.6416 5.6843 5.6843 5.8077 5.8077 5.9230 5.9230 6.8545 6.8545 7.0345 7.0345 7.2705 7.2705 7.7138 7.7138 7.8733 7.8733 9.1218 9.1218 9.9415 9.9415 10.0772 10.0772 10.3551 10.3551 10.9608 10.9608 k = 0.0870 0.1506-0.0000 ( 6195 PWs) bands (ev): -19.5884 -19.5884 -19.5787 -19.5787 -6.3016 -6.3016 -6.2224 -6.2224 -4.5083 -4.5083 -4.2451 -4.2451 -4.1857 -4.1857 -4.1578 -4.1578 -1.1769 -1.1769 -0.5401 -0.5401 4.7967 4.7967 4.8246 4.8246 4.9236 4.9236 5.0601 5.0601 5.1294 5.1294 5.4311 5.4311 5.5904 5.5904 5.6447 5.6447 5.6808 5.6808 5.8064 5.8064 5.9005 5.9005 6.9495 6.9495 7.1233 7.1233 7.3220 7.3220 7.7515 7.7515 7.9527 7.9527 9.0966 9.0966 10.0097 10.0097 10.0383 10.0383 10.2761 10.2761 10.9130 10.9130 k = 0.0797 0.1381-0.0000 ( 6195 PWs) bands (ev): -19.5891 -19.5891 -19.5793 -19.5793 -6.3009 -6.3009 -6.2190 -6.2190 -4.5110 -4.5110 -4.2363 -4.2363 -4.1823 -4.1823 -4.1508 -4.1508 -1.2083 -1.2083 -0.5373 -0.5373 4.8053 4.8053 4.8445 4.8445 4.9159 4.9159 5.0531 5.0531 5.1142 5.1142 5.4290 5.4290 5.5864 5.5864 5.6476 5.6476 5.6775 5.6775 5.8036 5.8036 5.8833 5.8833 7.0464 7.0464 7.1912 7.1912 7.3997 7.3997 7.7844 7.7844 8.0335 8.0335 9.0730 9.0730 9.9876 9.9876 10.0916 10.0916 10.1900 10.1900 10.8683 10.8683 k = 0.0725 0.1255-0.0000 ( 6203 PWs) bands (ev): -19.5897 -19.5897 -19.5799 -19.5799 -6.3003 -6.3003 -6.2158 -6.2158 -4.5135 -4.5135 -4.2288 -4.2288 -4.1782 -4.1782 -4.1442 -4.1442 -1.2376 -1.2376 -0.5346 -0.5346 4.8106 4.8106 4.8577 4.8577 4.9146 4.9146 5.0470 5.0470 5.0993 5.0993 5.4268 5.4268 5.5820 5.5820 5.6502 5.6502 5.6744 5.6744 5.7993 5.7993 5.8709 5.8709 7.1432 7.1432 7.2391 7.2391 7.5032 7.5032 7.8129 7.8129 8.1152 8.1152 9.0508 9.0508 9.9470 9.9470 10.0984 10.0984 10.1643 10.1643 10.8267 10.8267 k = 0.0652 0.1130-0.0000 ( 6207 PWs) bands (ev): -19.5903 -19.5903 -19.5805 -19.5805 -6.2998 -6.2998 -6.2128 -6.2128 -4.5158 -4.5158 -4.2227 -4.2227 -4.1734 -4.1734 -4.1380 -4.1380 -1.2647 -1.2647 -0.5320 -0.5320 4.8142 4.8142 4.8605 4.8605 4.9222 4.9222 5.0417 5.0417 5.0850 5.0850 5.4245 5.4245 5.5776 5.5776 5.6525 5.6525 5.6717 5.6717 5.7939 5.7939 5.8627 5.8627 7.2311 7.2311 7.2841 7.2841 7.6227 7.6227 7.8375 7.8375 8.1972 8.1972 9.0303 9.0303 9.9056 9.9056 10.0044 10.0044 10.2356 10.2356 10.7854 10.7854 k = 0.0580 0.1004-0.0000 ( 6205 PWs) bands (ev): -19.5908 -19.5908 -19.5810 -19.5810 -6.2994 -6.2994 -6.2102 -6.2102 -4.5179 -4.5179 -4.2180 -4.2180 -4.1680 -4.1680 -4.1323 -4.1323 -1.2894 -1.2894 -0.5296 -0.5296 4.8164 4.8164 4.8566 4.8566 4.9348 4.9348 5.0376 5.0376 5.0716 5.0716 5.4223 5.4223 5.5732 5.5732 5.6545 5.6545 5.6692 5.6692 5.7880 5.7880 5.8576 5.8576 7.2802 7.2802 7.3609 7.3609 7.7502 7.7502 7.8593 7.8593 8.2790 8.2790 9.0114 9.0114 9.8584 9.8584 9.9136 9.9136 10.3044 10.3044 10.6976 10.6976 k = 0.0507 0.0879-0.0000 ( 6205 PWs) bands (ev): -19.5913 -19.5913 -19.5814 -19.5814 -6.2990 -6.2990 -6.2078 -6.2078 -4.5197 -4.5197 -4.2145 -4.2145 -4.1623 -4.1623 -4.1272 -4.1272 -1.3115 -1.3115 -0.5274 -0.5274 4.8172 4.8172 4.8508 4.8508 4.9475 4.9475 5.0347 5.0347 5.0594 5.0594 5.4202 5.4202 5.5691 5.5691 5.6561 5.6561 5.6672 5.6672 5.7823 5.7823 5.8545 5.8545 7.3064 7.3064 7.4551 7.4551 7.8634 7.8634 7.8976 7.8976 8.3598 8.3598 8.9943 8.9943 9.7873 9.7873 9.8442 9.8442 10.3690 10.3690 10.5836 10.5837 k = 0.0435 0.0753-0.0000 ( 6193 PWs) bands (ev): -19.5917 -19.5917 -19.5818 -19.5818 -6.2986 -6.2986 -6.2057 -6.2057 -4.5214 -4.5214 -4.2119 -4.2119 -4.1567 -4.1567 -4.1226 -4.1226 -1.3310 -1.3310 -0.5254 -0.5254 4.8166 4.8166 4.8453 4.8453 4.9586 4.9586 5.0330 5.0330 5.0488 5.0488 5.4183 5.4183 5.5654 5.5654 5.6574 5.6574 5.6655 5.6655 5.7772 5.7772 5.8526 5.8526 7.3265 7.3265 7.5488 7.5488 7.8880 7.8880 8.0243 8.0243 8.4386 8.4386 8.9791 8.9791 9.6970 9.6970 9.7912 9.7912 10.4245 10.4245 10.4797 10.4797 k = 0.0362 0.0628-0.0000 ( 6181 PWs) bands (ev): -19.5921 -19.5921 -19.5822 -19.5822 -6.2984 -6.2984 -6.2039 -6.2039 -4.5228 -4.5228 -4.2100 -4.2100 -4.1515 -4.1515 -4.1187 -4.1187 -1.3478 -1.3478 -0.5236 -0.5236 4.8146 4.8146 4.8411 4.8411 4.9673 4.9673 5.0309 5.0309 5.0413 5.0413 5.4165 5.4165 5.5622 5.5622 5.6580 5.6580 5.6645 5.6645 5.7730 5.7730 5.8516 5.8516 7.3430 7.3430 7.6371 7.6371 7.9031 7.9031 8.1587 8.1587 8.5146 8.5146 8.9660 8.9660 9.6066 9.6066 9.7343 9.7343 10.3725 10.3725 10.4173 10.4173 k = 0.0290 0.0502-0.0000 ( 6197 PWs) bands (ev): -19.5924 -19.5924 -19.5825 -19.5825 -6.2981 -6.2981 -6.2024 -6.2024 -4.5239 -4.5239 -4.2086 -4.2086 -4.1470 -4.1470 -4.1154 -4.1154 -1.3616 -1.3616 -0.5221 -0.5221 4.8116 4.8116 4.8383 4.8383 4.9738 4.9738 5.0257 5.0257 5.0394 5.0394 5.4150 5.4150 5.5595 5.5595 5.6581 5.6581 5.6639 5.6639 5.7695 5.7695 5.8509 5.8509 7.3564 7.3564 7.7155 7.7155 7.9177 7.9177 8.2885 8.2885 8.5873 8.5873 8.9550 8.9550 9.5231 9.5231 9.6662 9.6662 10.2874 10.2874 10.2999 10.2999 k = 0.0217 0.0377-0.0000 ( 6187 PWs) bands (ev): -19.5926 -19.5926 -19.5827 -19.5827 -6.2980 -6.2980 -6.2012 -6.2012 -4.5248 -4.5248 -4.2077 -4.2077 -4.1432 -4.1432 -4.1128 -4.1128 -1.3725 -1.3725 -0.5210 -0.5210 4.8085 4.8085 4.8366 4.8366 4.9787 4.9787 5.0193 5.0193 5.0406 5.0406 5.4138 5.4138 5.5573 5.5573 5.6578 5.6578 5.6640 5.6640 5.7669 5.7669 5.8505 5.8505 7.3669 7.3669 7.7785 7.7785 7.9343 7.9343 8.4057 8.4057 8.6574 8.6574 8.9463 8.9463 9.4510 9.4510 9.5858 9.5858 10.2090 10.2090 10.2169 10.2169 k = 0.0145 0.0251-0.0000 ( 6187 PWs) bands (ev): -19.5928 -19.5928 -19.5828 -19.5828 -6.2979 -6.2979 -6.2004 -6.2004 -4.5254 -4.5254 -4.2071 -4.2071 -4.1405 -4.1405 -4.1110 -4.1110 -1.3803 -1.3803 -0.5201 -0.5201 4.8058 4.8058 4.8355 4.8355 4.9823 4.9823 5.0137 5.0137 5.0423 5.0423 5.4129 5.4129 5.5558 5.5558 5.6574 5.6574 5.6642 5.6642 5.7650 5.7650 5.8503 5.8503 7.3745 7.3745 7.8211 7.8211 7.9539 7.9539 8.4983 8.4983 8.7257 8.7257 8.9399 8.9399 9.3949 9.3949 9.5001 9.5001 10.1454 10.1454 10.1654 10.1654 k = 0.0072 0.0126-0.0000 ( 6187 PWs) bands (ev): -19.5929 -19.5929 -19.5829 -19.5829 -6.2978 -6.2978 -6.1999 -6.1999 -4.5258 -4.5258 -4.2067 -4.2067 -4.1388 -4.1388 -4.1099 -4.1099 -1.3850 -1.3850 -0.5196 -0.5196 4.8040 4.8040 4.8350 4.8350 4.9848 4.9848 5.0098 5.0098 5.0436 5.0436 5.4123 5.4123 5.5548 5.5548 5.6571 5.6571 5.6643 5.6643 5.7639 5.7639 5.8502 5.8502 7.3791 7.3791 7.8433 7.8433 7.9716 7.9716 8.5554 8.5554 8.7853 8.7853 8.9357 8.9357 9.3593 9.3593 9.4276 9.4276 10.1076 10.1076 10.1346 10.1346 k = 0.0000 0.0000 0.0000 ( 6183 PWs) bands (ev): -19.5929 -19.5929 -19.5830 -19.5830 -6.2978 -6.2978 -6.1997 -6.1997 -4.5260 -4.5260 -4.2066 -4.2066 -4.1382 -4.1382 -4.1095 -4.1095 -1.3865 -1.3865 -0.5195 -0.5195 4.8034 4.8034 4.8349 4.8349 4.9857 4.9857 5.0083 5.0083 5.0441 5.0441 5.4122 5.4122 5.5545 5.5545 5.6570 5.6570 5.6644 5.6644 5.7636 5.7636 5.8501 5.8501 7.3806 7.3806 7.8498 7.8498 7.9788 7.9788 8.5741 8.5741 8.8113 8.8113 8.9341 8.9341 9.3470 9.3470 9.3975 9.3975 10.0950 10.0950 10.1244 10.1244 k = 0.0000 0.0000 0.0000 ( 6183 PWs) bands (ev): -19.5929 -19.5929 -19.5830 -19.5830 -6.2978 -6.2978 -6.1997 -6.1997 -4.5260 -4.5260 -4.2066 -4.2066 -4.1382 -4.1382 -4.1095 -4.1095 -1.3865 -1.3865 -0.5195 -0.5195 4.8034 4.8034 4.8349 4.8349 4.9857 4.9857 5.0083 5.0083 5.0441 5.0441 5.4122 5.4122 5.5545 5.5545 5.6570 5.6570 5.6644 5.6644 5.7636 5.7636 5.8501 5.8501 7.3806 7.3806 7.8498 7.8498 7.9788 7.9788 8.5741 8.5741 8.8113 8.8113 8.9341 8.9341 9.3470 9.3470 9.3975 9.3975 10.0950 10.0950 10.1244 10.1244 k = 0.0000 0.0000 0.0144 ( 6177 PWs) bands (ev): -19.5929 -19.5929 -19.5830 -19.5830 -6.2975 -6.2975 -6.1999 -6.1999 -4.5254 -4.5254 -4.2075 -4.2075 -4.1382 -4.1382 -4.1095 -4.1095 -1.3846 -1.3846 -0.5214 -0.5214 4.8046 4.8046 4.8352 4.8352 4.9854 4.9854 5.0101 5.0101 5.0437 5.0437 5.4121 5.4121 5.5548 5.5548 5.6569 5.6569 5.6646 5.6646 5.7634 5.7634 5.8507 5.8507 7.3718 7.3718 7.8508 7.8508 7.9800 7.9800 8.5699 8.5699 8.8079 8.8079 8.9434 8.9434 9.3473 9.3473 9.3999 9.3999 10.0970 10.0970 10.1266 10.1266 k = 0.0000 0.0000 0.0288 ( 6183 PWs) bands (ev): -19.5928 -19.5928 -19.5830 -19.5830 -6.2969 -6.2969 -6.2005 -6.2005 -4.5239 -4.5239 -4.2101 -4.2101 -4.1380 -4.1380 -4.1097 -4.1097 -1.3790 -1.3790 -0.5271 -0.5271 4.8080 4.8080 4.8361 4.8361 4.9844 4.9844 5.0153 5.0153 5.0425 5.0425 5.4120 5.4120 5.5553 5.5553 5.6566 5.6566 5.6651 5.6651 5.7627 5.7627 5.8524 5.8524 7.3459 7.3459 7.8538 7.8538 7.9834 7.9834 8.5582 8.5582 8.7981 8.7981 8.9696 8.9696 9.3482 9.3482 9.4071 9.4071 10.1031 10.1031 10.1329 10.1329 k = 0.0000 0.0000 0.0433 ( 6183 PWs) bands (ev): -19.5927 -19.5927 -19.5831 -19.5831 -6.2957 -6.2957 -6.2014 -6.2014 -4.5212 -4.5212 -4.2145 -4.2145 -4.1377 -4.1377 -4.1100 -4.1100 -1.3696 -1.3696 -0.5365 -0.5365 4.8134 4.8134 4.8377 4.8377 4.9829 4.9829 5.0240 5.0240 5.0406 5.0406 5.4117 5.4117 5.5563 5.5563 5.6561 5.6561 5.6661 5.6661 5.7615 5.7615 5.8552 5.8552 7.3045 7.3045 7.8587 7.8587 7.9891 7.9891 8.5408 8.5408 8.7821 8.7821 9.0090 9.0090 9.3497 9.3497 9.4197 9.4197 10.1132 10.1132 10.1436 10.1436 k = 0.0000 0.0000 0.0577 ( 6177 PWs) bands (ev): -19.5926 -19.5926 -19.5833 -19.5833 -6.2942 -6.2942 -6.2028 -6.2028 -4.5176 -4.5176 -4.2205 -4.2205 -4.1373 -4.1373 -4.1105 -4.1105 -1.3566 -1.3566 -0.5495 -0.5495 4.8205 4.8205 4.8400 4.8400 4.9807 4.9807 5.0365 5.0365 5.0378 5.0378 5.4112 5.4112 5.5578 5.5578 5.6554 5.6554 5.6674 5.6674 5.7599 5.7599 5.8594 5.8594 7.2501 7.2501 7.8656 7.8656 7.9971 7.9971 8.5191 8.5191 8.7606 8.7606 9.0569 9.0569 9.3517 9.3517 9.4389 9.4389 10.1274 10.1274 10.1584 10.1584 k = 0.0000 0.0000 0.0721 ( 6189 PWs) bands (ev): -19.5924 -19.5924 -19.5835 -19.5835 -6.2922 -6.2922 -6.2044 -6.2044 -4.5129 -4.5129 -4.2281 -4.2281 -4.1367 -4.1367 -4.1110 -4.1110 -1.3402 -1.3402 -0.5660 -0.5660 4.8290 4.8290 4.8428 4.8428 4.9779 4.9779 5.0344 5.0344 5.0526 5.0526 5.4105 5.4105 5.5596 5.5596 5.6544 5.6544 5.6690 5.6690 5.7578 5.7578 5.8650 5.8650 7.1851 7.1851 7.8745 7.8745 8.0073 8.0073 8.4943 8.4943 8.7343 8.7343 9.1083 9.1083 9.3542 9.3542 9.4661 9.4661 10.1456 10.1456 10.1775 10.1775 k = 0.0000 0.0000 0.0865 ( 6195 PWs) bands (ev): -19.5921 -19.5921 -19.5837 -19.5837 -6.2898 -6.2898 -6.2065 -6.2065 -4.5072 -4.5072 -4.2371 -4.2371 -4.1361 -4.1361 -4.1117 -4.1117 -1.3204 -1.3204 -0.5859 -0.5859 4.8383 4.8383 4.8463 4.8463 4.9745 4.9745 5.0301 5.0301 5.0722 5.0722 5.4096 5.4096 5.5619 5.5619 5.6532 5.6532 5.6711 5.6711 5.7553 5.7553 5.8726 5.8726 7.1120 7.1120 7.8852 7.8852 8.0198 8.0198 8.4671 8.4671 8.7040 8.7040 9.1587 9.1587 9.3571 9.3571 9.5035 9.5035 10.1678 10.1678 10.2008 10.2008 k = 0.0000 0.0000 0.1009 ( 6194 PWs) bands (ev): -19.5919 -19.5919 -19.5840 -19.5840 -6.2871 -6.2871 -6.2089 -6.2089 -4.5005 -4.5005 -4.2474 -4.2474 -4.1353 -4.1353 -4.1124 -4.1124 -1.2975 -1.2975 -0.6088 -0.6088 4.8481 4.8481 4.8503 4.8503 4.9707 4.9707 5.0252 5.0252 5.0953 5.0953 5.4084 5.4084 5.5648 5.5648 5.6518 5.6518 5.6734 5.6734 5.7525 5.7525 5.8823 5.8823 7.0330 7.0330 7.8979 7.8979 8.0344 8.0344 8.4380 8.4380 8.6706 8.6706 9.2041 9.2041 9.3602 9.3602 9.5527 9.5527 10.1940 10.1940 10.2282 10.2282 k = 0.0000 0.0000 0.1153 ( 6188 PWs) bands (ev): -19.5916 -19.5916 -19.5843 -19.5843 -6.2840 -6.2840 -6.2115 -6.2115 -4.4929 -4.4929 -4.2589 -4.2589 -4.1345 -4.1345 -4.1133 -4.1133 -1.2717 -1.2717 -0.6347 -0.6347 4.8547 4.8547 4.8582 4.8582 4.9663 4.9663 5.0197 5.0197 5.1211 5.1211 5.4069 5.4069 5.5681 5.5681 5.6501 5.6501 5.6761 5.6761 5.7493 5.7493 5.8945 5.8945 6.9498 6.9498 7.9124 7.9124 8.0513 8.0513 8.4074 8.4074 8.6348 8.6348 9.2423 9.2423 9.3636 9.3636 9.6141 9.6141 10.2241 10.2241 10.2599 10.2599 k = 0.0000 0.0000 0.1298 ( 6182 PWs) bands (ev): -19.5913 -19.5913 -19.5846 -19.5846 -6.2806 -6.2806 -6.2146 -6.2146 -4.4843 -4.4843 -4.2713 -4.2713 -4.1336 -4.1336 -4.1142 -4.1142 -1.2433 -1.2433 -0.6632 -0.6632 4.8597 4.8597 4.8684 4.8684 4.9615 4.9615 5.0136 5.0136 5.1492 5.1492 5.4048 5.4048 5.5720 5.5720 5.6481 5.6481 5.6791 5.6791 5.7459 5.7459 5.9098 5.9098 6.8641 6.8641 7.9287 7.9287 8.0702 8.0702 8.3757 8.3757 8.5972 8.5972 9.2733 9.2733 9.3670 9.3670 9.6862 9.6862 10.2581 10.2581 10.2957 10.2957 k = 0.0000 0.0000 0.1442 ( 6188 PWs) bands (ev): -19.5909 -19.5909 -19.5849 -19.5849 -6.2770 -6.2770 -6.2178 -6.2178 -4.4747 -4.4747 -4.2846 -4.2846 -4.1326 -4.1326 -4.1152 -4.1152 -1.2124 -1.2124 -0.6942 -0.6942 4.8651 4.8651 4.8786 4.8786 4.9562 4.9562 5.0069 5.0069 5.1786 5.1786 5.4020 5.4020 5.5765 5.5765 5.6457 5.6457 5.6824 5.6824 5.7421 5.7421 5.9290 5.9290 6.7772 6.7772 7.9469 7.9469 8.0913 8.0913 8.3432 8.3432 8.5586 8.5586 9.2980 9.2980 9.3703 9.3703 9.7670 9.7670 10.2959 10.2959 10.3356 10.3356 k = 0.0000 0.0000 0.1586 ( 6194 PWs) bands (ev): -19.5905 -19.5905 -19.5853 -19.5853 -6.2730 -6.2730 -6.2214 -6.2214 -4.4644 -4.4644 -4.2985 -4.2985 -4.1315 -4.1315 -4.1163 -4.1163 -1.1795 -1.1795 -0.7272 -0.7272 4.8709 4.8709 4.8888 4.8888 4.9505 4.9505 4.9996 4.9996 5.2083 5.2083 5.3986 5.3986 5.5814 5.5814 5.6429 5.6429 5.6859 5.6859 5.7381 5.7381 5.9526 5.9526 6.6903 6.6903 7.9668 7.9668 8.1144 8.1144 8.3103 8.3103 8.5193 8.5193 9.3179 9.3179 9.3734 9.3734 9.8540 9.8540 10.3374 10.3374 10.3796 10.3796 k = 0.0000 0.0000 0.1730 ( 6182 PWs) bands (ev): -19.5901 -19.5901 -19.5857 -19.5857 -6.2689 -6.2689 -6.2252 -6.2252 -4.4532 -4.4532 -4.3129 -4.3129 -4.1303 -4.1303 -4.1175 -4.1175 -1.1447 -1.1447 -0.7621 -0.7621 4.8771 4.8771 4.8989 4.8989 4.9444 4.9444 4.9919 4.9919 5.2375 5.2375 5.3941 5.3941 5.5869 5.5869 5.6398 5.6398 5.6898 5.6898 5.7339 5.7339 5.9816 5.9816 6.6044 6.6044 7.9884 7.9884 8.1396 8.1396 8.2772 8.2772 8.4799 8.4799 9.3340 9.3340 9.3760 9.3760 9.9456 9.9456 10.3822 10.3822 10.4277 10.4277 k = 0.0000 0.0000 0.1874 ( 6164 PWs) bands (ev): -19.5897 -19.5897 -19.5861 -19.5861 -6.2646 -6.2646 -6.2292 -6.2292 -4.4412 -4.4412 -4.3277 -4.3277 -4.1291 -4.1291 -4.1187 -4.1187 -1.1083 -1.1083 -0.7986 -0.7986 4.8836 4.8836 4.9090 4.9090 4.9381 4.9381 4.9838 4.9838 5.2650 5.2650 5.3885 5.3885 5.5928 5.5928 5.6363 5.6363 5.6938 5.6938 5.7296 5.7296 6.0165 6.0165 6.5205 6.5205 8.0116 8.0116 8.1666 8.1666 8.2444 8.2444 8.4408 8.4408 9.3470 9.3470 9.3780 9.3780 10.0405 10.0405 10.4296 10.4296 10.4798 10.4798 k = 0.0000 0.0000 0.2019 ( 6170 PWs) bands (ev): -19.5893 -19.5893 -19.5866 -19.5866 -6.2602 -6.2602 -6.2334 -6.2334 -4.4285 -4.4285 -4.3426 -4.3426 -4.1278 -4.1278 -4.1200 -4.1200 -1.0707 -1.0707 -0.8362 -0.8362 4.8902 4.8902 4.9189 4.9189 4.9315 4.9315 4.9753 4.9753 5.2902 5.2902 5.3814 5.3814 5.5989 5.5989 5.6322 5.6322 5.6980 5.6980 5.7251 5.7251 6.0578 6.0578 6.4395 6.4395 8.0363 8.0363 8.1956 8.1956 8.2119 8.2119 8.4023 8.4023 9.3574 9.3574 9.3792 9.3792 10.1376 10.1376 10.4776 10.4776 10.5359 10.5359 k = 0.0000 0.0000 0.2163 ( 6170 PWs) bands (ev): -19.5888 -19.5888 -19.5870 -19.5870 -6.2557 -6.2557 -6.2377 -6.2377 -4.4152 -4.4152 -4.3576 -4.3576 -4.1266 -4.1266 -4.1213 -4.1213 -1.0322 -1.0322 -0.8748 -0.8748 4.8970 4.8970 4.9248 4.9248 4.9287 4.9287 4.9664 4.9664 5.3125 5.3125 5.3725 5.3725 5.6051 5.6051 5.6276 5.6276 5.7024 5.7024 5.7205 5.7205 6.1059 6.1059 6.3622 6.3622 8.0626 8.0626 8.1801 8.1801 8.2263 8.2263 8.3646 8.3646 9.3655 9.3655 9.3793 9.3793 10.2362 10.2362 10.5173 10.5173 10.5959 10.5959 k = 0.0000 0.0000 0.2307 ( 6170 PWs) bands (ev): -19.5884 -19.5884 -19.5875 -19.5875 -6.2512 -6.2512 -6.2421 -6.2421 -4.4014 -4.4014 -4.3724 -4.3724 -4.1252 -4.1252 -4.1226 -4.1226 -0.9930 -0.9930 -0.9140 -0.9140 4.9039 4.9039 4.9179 4.9179 4.9384 4.9384 4.9573 4.9573 5.3318 5.3318 5.3615 5.3615 5.6112 5.6112 5.6226 5.6226 5.7068 5.7068 5.7159 5.7159 6.1607 6.1607 6.2895 6.2895 8.0902 8.0902 8.1491 8.1491 8.2586 8.2586 8.3279 8.3279 9.3715 9.3715 9.3782 9.3782 10.3349 10.3349 10.5077 10.5077 10.6598 10.6598 k = 0.0000 0.0000 0.2451 ( 6158 PWs) bands (ev): -19.5879 -19.5879 -19.5879 -19.5879 -6.2466 -6.2466 -6.2466 -6.2466 -4.3871 -4.3871 -4.3871 -4.3871 -4.1239 -4.1239 -4.1239 -4.1239 -0.9535 -0.9535 -0.9535 -0.9535 4.9110 4.9110 4.9110 4.9110 4.9480 4.9480 4.9480 4.9480 5.3481 5.3481 5.3481 5.3481 5.6171 5.6171 5.6171 5.6171 5.7114 5.7114 5.7114 5.7114 6.2221 6.2221 6.2221 6.2221 8.1191 8.1191 8.1191 8.1191 8.2926 8.2926 8.2926 8.2926 9.3757 9.3757 9.3757 9.3757 10.4305 10.4305 10.4305 10.4305 10.7038 10.7038 k = 0.0000 0.0000 0.2451 ( 6158 PWs) bands (ev): -19.5879 -19.5879 -19.5879 -19.5879 -6.2466 -6.2466 -6.2466 -6.2466 -4.3871 -4.3871 -4.3871 -4.3871 -4.1239 -4.1239 -4.1239 -4.1239 -0.9535 -0.9535 -0.9535 -0.9535 4.9110 4.9110 4.9110 4.9110 4.9480 4.9480 4.9480 4.9480 5.3481 5.3481 5.3481 5.3481 5.6171 5.6171 5.6171 5.6171 5.7114 5.7114 5.7114 5.7114 6.2221 6.2221 6.2221 6.2221 8.1191 8.1191 8.1191 8.1191 8.2926 8.2926 8.2926 8.2926 9.3757 9.3757 9.3757 9.3757 10.4305 10.4305 10.4305 10.4305 10.7038 10.7038 k = 0.0125 0.0072 0.2451 ( 6166 PWs) bands (ev): -19.5879 -19.5879 -19.5879 -19.5879 -6.2467 -6.2467 -6.2467 -6.2467 -4.3871 -4.3871 -4.3871 -4.3871 -4.1243 -4.1243 -4.1243 -4.1243 -0.9528 -0.9528 -0.9528 -0.9528 4.9106 4.9106 4.9106 4.9106 4.9477 4.9477 4.9477 4.9477 5.3482 5.3482 5.3482 5.3482 5.6171 5.6171 5.6171 5.6171 5.7117 5.7117 5.7117 5.7117 6.2232 6.2232 6.2232 6.2232 8.1104 8.1104 8.1104 8.1104 8.2824 8.2824 8.2824 8.2824 9.3912 9.3912 9.3912 9.3912 10.4187 10.4187 10.4187 10.4187 10.7043 10.7043 k = 0.0250 0.0144 0.2451 ( 6176 PWs) bands (ev): -19.5878 -19.5878 -19.5878 -19.5878 -6.2470 -6.2470 -6.2470 -6.2470 -4.3870 -4.3870 -4.3870 -4.3870 -4.1256 -4.1256 -4.1256 -4.1256 -0.9505 -0.9505 -0.9505 -0.9505 4.9091 4.9091 4.9091 4.9091 4.9469 4.9469 4.9469 4.9469 5.3485 5.3485 5.3485 5.3485 5.6172 5.6172 5.6172 5.6172 5.7126 5.7126 5.7126 5.7126 6.2264 6.2264 6.2264 6.2264 8.0826 8.0826 8.0826 8.0826 8.2565 8.2565 8.2565 8.2565 9.4349 9.4349 9.4349 9.4349 10.3882 10.3882 10.3882 10.3882 10.7056 10.7056 k = 0.0375 0.0217 0.2451 ( 6176 PWs) bands (ev): -19.5876 -19.5876 -19.5876 -19.5876 -6.2475 -6.2475 -6.2475 -6.2475 -4.3869 -4.3869 -4.3869 -4.3869 -4.1277 -4.1277 -4.1277 -4.1277 -0.9468 -0.9468 -0.9468 -0.9468 4.9062 4.9062 4.9062 4.9062 4.9463 4.9463 4.9463 4.9463 5.3490 5.3490 5.3490 5.3490 5.6173 5.6173 5.6173 5.6173 5.7141 5.7141 5.7141 5.7141 6.2317 6.2317 6.2317 6.2317 8.0326 8.0326 8.0326 8.0326 8.2242 8.2242 8.2242 8.2242 9.5000 9.5000 9.5000 9.5000 10.3485 10.3485 10.3485 10.3485 10.7077 10.7077 k = 0.0500 0.0289 0.2451 ( 6184 PWs) bands (ev): -19.5874 -19.5874 -19.5874 -19.5874 -6.2481 -6.2481 -6.2481 -6.2481 -4.3869 -4.3869 -4.3869 -4.3869 -4.1306 -4.1306 -4.1306 -4.1306 -0.9416 -0.9416 -0.9416 -0.9416 4.9010 4.9010 4.9010 4.9010 4.9466 4.9466 4.9466 4.9466 5.3497 5.3497 5.3497 5.3497 5.6175 5.6175 5.6175 5.6175 5.7161 5.7161 5.7161 5.7161 6.2390 6.2390 6.2390 6.2390 7.9609 7.9609 7.9609 7.9609 8.1919 8.1919 8.1919 8.1919 9.5783 9.5783 9.5783 9.5783 10.3068 10.3068 10.3068 10.3068 10.7112 10.7112 k = 0.0625 0.0361 0.2451 ( 6196 PWs) bands (ev): -19.5871 -19.5871 -19.5871 -19.5871 -6.2490 -6.2490 -6.2490 -6.2490 -4.3867 -4.3867 -4.3867 -4.3867 -4.1343 -4.1343 -4.1343 -4.1343 -0.9350 -0.9350 -0.9350 -0.9350 4.8932 4.8932 4.8932 4.8932 4.9483 4.9483 4.9483 4.9483 5.3505 5.3505 5.3505 5.3505 5.6177 5.6177 5.6177 5.6177 5.7186 5.7186 5.7186 5.7186 6.2484 6.2484 6.2484 6.2484 7.8730 7.8730 7.8730 7.8730 8.1603 8.1603 8.1603 8.1603 9.6615 9.6615 9.6615 9.6615 10.2691 10.2691 10.2691 10.2691 10.7166 10.7166 k = 0.0750 0.0433 0.2451 ( 6196 PWs) bands (ev): -19.5868 -19.5868 -19.5868 -19.5868 -6.2500 -6.2500 -6.2500 -6.2500 -4.3866 -4.3866 -4.3866 -4.3866 -4.1387 -4.1387 -4.1387 -4.1387 -0.9270 -0.9270 -0.9270 -0.9270 4.8826 4.8826 4.8826 4.8826 4.9515 4.9515 4.9515 4.9515 5.3515 5.3515 5.3515 5.3515 5.6180 5.6180 5.6180 5.6180 5.7216 5.7216 5.7216 5.7216 6.2597 6.2597 6.2597 6.2597 7.7747 7.7747 7.7747 7.7747 8.1278 8.1278 8.1278 8.1278 9.7400 9.7400 9.7400 9.7400 10.2421 10.2421 10.2421 10.2421 10.7242 10.7242 k = 0.0875 0.0505 0.2451 ( 6202 PWs) bands (ev): -19.5864 -19.5864 -19.5864 -19.5864 -6.2513 -6.2513 -6.2513 -6.2513 -4.3865 -4.3865 -4.3865 -4.3865 -4.1437 -4.1437 -4.1437 -4.1437 -0.9176 -0.9176 -0.9176 -0.9176 4.8696 4.8696 4.8696 4.8696 4.9560 4.9560 4.9560 4.9560 5.3525 5.3525 5.3525 5.3525 5.6182 5.6182 5.6182 5.6182 5.7248 5.7248 5.7248 5.7248 6.2729 6.2729 6.2729 6.2729 7.6706 7.6706 7.6706 7.6706 8.0933 8.0933 8.0933 8.0933 9.8008 9.8008 9.8008 9.8008 10.2364 10.2364 10.2364 10.2364 10.7341 10.7341 k = 0.1000 0.0577 0.2451 ( 6202 PWs) bands (ev): -19.5859 -19.5859 -19.5859 -19.5859 -6.2527 -6.2527 -6.2527 -6.2527 -4.3865 -4.3865 -4.3865 -4.3865 -4.1493 -4.1493 -4.1493 -4.1493 -0.9070 -0.9070 -0.9070 -0.9070 4.8542 4.8542 4.8542 4.8542 4.9617 4.9617 4.9617 4.9617 5.3535 5.3535 5.3535 5.3535 5.6185 5.6185 5.6185 5.6185 5.7284 5.7284 5.7284 5.7284 6.2876 6.2876 6.2876 6.2876 7.5637 7.5637 7.5637 7.5637 8.0563 8.0563 8.0563 8.0563 9.8308 9.8308 9.8308 9.8308 10.2636 10.2636 10.2636 10.2636 10.7446 10.7446 k = 0.1125 0.0650 0.2451 ( 6194 PWs) bands (ev): -19.5854 -19.5854 -19.5854 -19.5854 -6.2542 -6.2542 -6.2542 -6.2542 -4.3864 -4.3864 -4.3864 -4.3864 -4.1555 -4.1555 -4.1555 -4.1555 -0.8952 -0.8952 -0.8952 -0.8952 4.8366 4.8366 4.8366 4.8366 4.9686 4.9686 4.9686 4.9686 5.3545 5.3545 5.3545 5.3545 5.6188 5.6188 5.6188 5.6188 5.7321 5.7321 5.7321 5.7321 6.3037 6.3037 6.3037 6.3037 7.4564 7.4564 7.4564 7.4564 8.0167 8.0167 8.0167 8.0167 9.8272 9.8272 9.8272 9.8272 10.3245 10.3245 10.3245 10.3245 10.7411 10.7411 k = 0.1250 0.0722 0.2451 ( 6198 PWs) bands (ev): -19.5848 -19.5848 -19.5848 -19.5848 -6.2560 -6.2560 -6.2560 -6.2560 -4.3865 -4.3865 -4.3865 -4.3865 -4.1620 -4.1620 -4.1620 -4.1620 -0.8822 -0.8822 -0.8822 -0.8822 4.8170 4.8170 4.8170 4.8170 4.9764 4.9764 4.9764 4.9764 5.3555 5.3555 5.3555 5.3555 5.6190 5.6190 5.6190 5.6190 5.7358 5.7358 5.7358 5.7358 6.3209 6.3209 6.3209 6.3209 7.3502 7.3502 7.3502 7.3502 7.9745 7.9745 7.9745 7.9745 9.7995 9.7995 9.7995 9.7995 10.4074 10.4074 10.4074 10.4074 10.7131 10.7131 k = 0.1375 0.0794 0.2451 ( 6196 PWs) bands (ev): -19.5842 -19.5842 -19.5842 -19.5842 -6.2579 -6.2579 -6.2579 -6.2579 -4.3866 -4.3866 -4.3866 -4.3866 -4.1690 -4.1690 -4.1690 -4.1690 -0.8681 -0.8681 -0.8681 -0.8681 4.7955 4.7955 4.7955 4.7955 4.9852 4.9852 4.9852 4.9852 5.3563 5.3563 5.3563 5.3563 5.6192 5.6192 5.6192 5.6192 5.7396 5.7396 5.7396 5.7396 6.3385 6.3385 6.3385 6.3385 7.2468 7.2468 7.2468 7.2468 7.9300 7.9300 7.9300 7.9300 9.7579 9.7579 9.7579 9.7579 10.4971 10.4971 10.4971 10.4971 10.6846 10.6846 k = 0.1500 0.0866 0.2451 ( 6190 PWs) bands (ev): -19.5836 -19.5836 -19.5836 -19.5836 -6.2600 -6.2600 -6.2600 -6.2600 -4.3869 -4.3869 -4.3869 -4.3869 -4.1761 -4.1761 -4.1761 -4.1761 -0.8530 -0.8530 -0.8530 -0.8530 4.7722 4.7722 4.7722 4.7722 4.9948 4.9948 4.9948 4.9948 5.3570 5.3570 5.3570 5.3570 5.6194 5.6194 5.6194 5.6194 5.7433 5.7433 5.7433 5.7433 6.3559 6.3559 6.3559 6.3559 7.1475 7.1475 7.1475 7.1475 7.8834 7.8834 7.8834 7.8834 9.7084 9.7084 9.7084 9.7084 10.5632 10.5632 10.5632 10.5632 10.6863 10.6863 k = 0.1625 0.0938 0.2451 ( 6194 PWs) bands (ev): -19.5829 -19.5829 -19.5829 -19.5829 -6.2622 -6.2622 -6.2622 -6.2622 -4.3873 -4.3873 -4.3873 -4.3873 -4.1834 -4.1834 -4.1834 -4.1834 -0.8370 -0.8370 -0.8370 -0.8370 4.7471 4.7471 4.7471 4.7471 5.0052 5.0052 5.0052 5.0052 5.3576 5.3576 5.3576 5.3576 5.6195 5.6195 5.6195 5.6195 5.7469 5.7469 5.7469 5.7469 6.3718 6.3718 6.3718 6.3718 7.0542 7.0542 7.0542 7.0542 7.8351 7.8351 7.8351 7.8351 9.6541 9.6541 9.6541 9.6541 10.5642 10.5642 10.5642 10.5642 10.7577 10.7577 k = 0.1750 0.1010 0.2451 ( 6192 PWs) bands (ev): -19.5822 -19.5822 -19.5822 -19.5822 -6.2645 -6.2645 -6.2645 -6.2645 -4.3880 -4.3880 -4.3880 -4.3880 -4.1908 -4.1908 -4.1908 -4.1908 -0.8202 -0.8202 -0.8202 -0.8202 4.7204 4.7204 4.7204 4.7204 5.0163 5.0163 5.0163 5.0163 5.3579 5.3579 5.3579 5.3579 5.6196 5.6196 5.6196 5.6196 5.7503 5.7503 5.7503 5.7503 6.3845 6.3845 6.3845 6.3845 6.9691 6.9691 6.9691 6.9691 7.7854 7.7854 7.7854 7.7854 9.5968 9.5968 9.5968 9.5968 10.5404 10.5404 10.5404 10.5404 10.8556 10.8556 k = 0.1875 0.1083 0.2451 ( 6194 PWs) bands (ev): -19.5814 -19.5814 -19.5814 -19.5814 -6.2670 -6.2670 -6.2670 -6.2670 -4.3889 -4.3889 -4.3889 -4.3889 -4.1980 -4.1980 -4.1980 -4.1980 -0.8027 -0.8027 -0.8027 -0.8027 4.6919 4.6919 4.6919 4.6919 5.0282 5.0282 5.0282 5.0282 5.3580 5.3580 5.3580 5.3580 5.6196 5.6196 5.6196 5.6196 5.7535 5.7535 5.7535 5.7535 6.3910 6.3910 6.3910 6.3910 6.8953 6.8953 6.8953 6.8953 7.7347 7.7347 7.7347 7.7347 9.5378 9.5378 9.5378 9.5378 10.5142 10.5142 10.5142 10.5142 10.9444 10.9444 k = 0.2000 0.1155 0.2451 ( 6190 PWs) bands (ev): -19.5806 -19.5806 -19.5806 -19.5806 -6.2696 -6.2696 -6.2696 -6.2696 -4.3900 -4.3900 -4.3900 -4.3900 -4.2051 -4.2051 -4.2051 -4.2051 -0.7845 -0.7845 -0.7845 -0.7845 4.6618 4.6618 4.6618 4.6618 5.0408 5.0408 5.0408 5.0408 5.3579 5.3579 5.3579 5.3579 5.6195 5.6195 5.6195 5.6195 5.7564 5.7564 5.7564 5.7564 6.3876 6.3876 6.3876 6.3876 6.8368 6.8368 6.8368 6.8368 7.6832 7.6832 7.6832 7.6832 9.4780 9.4780 9.4780 9.4780 10.4897 10.4897 10.4897 10.4897 11.0066 11.0066 k = 0.2125 0.1227 0.2451 ( 6200 PWs) bands (ev): -19.5798 -19.5798 -19.5798 -19.5798 -6.2723 -6.2723 -6.2723 -6.2723 -4.3916 -4.3916 -4.3916 -4.3916 -4.2120 -4.2120 -4.2120 -4.2120 -0.7658 -0.7658 -0.7658 -0.7658 4.6301 4.6301 4.6301 4.6301 5.0540 5.0540 5.0540 5.0540 5.3574 5.3574 5.3574 5.3574 5.6193 5.6193 5.6193 5.6193 5.7590 5.7590 5.7590 5.7590 6.3708 6.3708 6.3708 6.3708 6.7973 6.7973 6.7973 6.7973 7.6312 7.6312 7.6312 7.6312 9.4180 9.4180 9.4180 9.4180 10.4678 10.4678 10.4678 10.4678 11.0620 11.0620 k = 0.2250 0.1299 0.2451 ( 6196 PWs) bands (ev): -19.5790 -19.5790 -19.5790 -19.5790 -6.2751 -6.2751 -6.2751 -6.2751 -4.3934 -4.3934 -4.3934 -4.3934 -4.2184 -4.2184 -4.2184 -4.2184 -0.7467 -0.7467 -0.7467 -0.7467 4.5970 4.5970 4.5970 4.5970 5.0678 5.0678 5.0678 5.0678 5.3567 5.3567 5.3567 5.3567 5.6190 5.6190 5.6190 5.6190 5.7614 5.7614 5.7614 5.7614 6.3395 6.3395 6.3395 6.3395 6.7779 6.7779 6.7779 6.7779 7.5792 7.5792 7.5792 7.5792 9.3587 9.3587 9.3587 9.3587 10.4484 10.4484 10.4484 10.4484 11.1189 11.1189 k = 0.2375 0.1371 0.2451 ( 6192 PWs) bands (ev): -19.5782 -19.5782 -19.5782 -19.5782 -6.2779 -6.2779 -6.2779 -6.2779 -4.3957 -4.3957 -4.3957 -4.3957 -4.2244 -4.2244 -4.2244 -4.2244 -0.7272 -0.7272 -0.7272 -0.7272 4.5625 4.5625 4.5625 4.5625 5.0820 5.0820 5.0820 5.0820 5.3557 5.3557 5.3557 5.3557 5.6187 5.6187 5.6187 5.6187 5.7634 5.7634 5.7634 5.7634 6.2965 6.2965 6.2965 6.2965 6.7758 6.7758 6.7758 6.7758 7.5274 7.5274 7.5274 7.5274 9.3004 9.3004 9.3004 9.3004 10.4313 10.4313 10.4313 10.4313 11.1786 11.1787 k = 0.2500 0.1443 0.2451 ( 6184 PWs) bands (ev): -19.5774 -19.5774 -19.5774 -19.5774 -6.2808 -6.2808 -6.2808 -6.2808 -4.3985 -4.3985 -4.3985 -4.3985 -4.2298 -4.2298 -4.2298 -4.2298 -0.7075 -0.7075 -0.7075 -0.7075 4.5267 4.5267 4.5267 4.5267 5.0968 5.0968 5.0968 5.0968 5.3544 5.3544 5.3544 5.3544 5.6182 5.6182 5.6182 5.6182 5.7652 5.7652 5.7652 5.7652 6.2466 6.2466 6.2466 6.2466 6.7861 6.7861 6.7861 6.7861 7.4761 7.4761 7.4761 7.4761 9.2438 9.2438 9.2438 9.2438 10.4158 10.4158 10.4158 10.4158 11.2416 11.2416 k = 0.2625 0.1516 0.2451 ( 6188 PWs) bands (ev): -19.5766 -19.5766 -19.5766 -19.5766 -6.2838 -6.2838 -6.2838 -6.2838 -4.4016 -4.4016 -4.4016 -4.4016 -4.2347 -4.2347 -4.2347 -4.2347 -0.6877 -0.6877 -0.6877 -0.6877 4.4897 4.4897 4.4897 4.4897 5.1119 5.1119 5.1119 5.1119 5.3528 5.3528 5.3528 5.3528 5.6176 5.6176 5.6176 5.6176 5.7667 5.7667 5.7667 5.7667 6.1939 6.1939 6.1939 6.1939 6.8043 6.8043 6.8043 6.8043 7.4258 7.4258 7.4258 7.4258 9.1893 9.1893 9.1893 9.1893 10.4016 10.4016 10.4016 10.4016 11.3077 11.3077 k = 0.2750 0.1588 0.2451 ( 6192 PWs) bands (ev): -19.5757 -19.5757 -19.5757 -19.5757 -6.2867 -6.2867 -6.2867 -6.2867 -4.4051 -4.4051 -4.4051 -4.4051 -4.2389 -4.2389 -4.2389 -4.2389 -0.6679 -0.6679 -0.6679 -0.6679 4.4518 4.4518 4.4518 4.4518 5.1273 5.1273 5.1273 5.1273 5.3509 5.3509 5.3509 5.3509 5.6169 5.6169 5.6169 5.6169 5.7678 5.7678 5.7678 5.7678 6.1414 6.1414 6.1414 6.1414 6.8272 6.8272 6.8272 6.8272 7.3767 7.3767 7.3767 7.3767 9.1373 9.1373 9.1373 9.1373 10.3879 10.3879 10.3879 10.3879 11.3767 11.3767 k = 0.2875 0.1660 0.2451 ( 6192 PWs) bands (ev): -19.5749 -19.5749 -19.5749 -19.5749 -6.2897 -6.2897 -6.2897 -6.2897 -4.4090 -4.4090 -4.4090 -4.4090 -4.2425 -4.2425 -4.2425 -4.2425 -0.6482 -0.6482 -0.6482 -0.6482 4.4131 4.4131 4.4131 4.4131 5.1429 5.1429 5.1429 5.1429 5.3488 5.3488 5.3488 5.3488 5.6161 5.6161 5.6161 5.6161 5.7687 5.7687 5.7687 5.7687 6.0909 6.0909 6.0909 6.0909 6.8524 6.8524 6.8524 6.8524 7.3295 7.3295 7.3295 7.3295 9.0881 9.0881 9.0881 9.0881 10.3743 10.3743 10.3743 10.3743 11.4486 11.4486 k = 0.3000 0.1732 0.2451 ( 6180 PWs) bands (ev): -19.5741 -19.5741 -19.5741 -19.5741 -6.2926 -6.2926 -6.2926 -6.2926 -4.4132 -4.4132 -4.4132 -4.4132 -4.2455 -4.2455 -4.2455 -4.2455 -0.6288 -0.6288 -0.6288 -0.6288 4.3740 4.3740 4.3740 4.3740 5.1587 5.1587 5.1587 5.1587 5.3465 5.3465 5.3465 5.3465 5.6152 5.6152 5.6152 5.6152 5.7694 5.7694 5.7694 5.7694 6.0433 6.0433 6.0433 6.0433 6.8782 6.8782 6.8782 6.8782 7.2848 7.2848 7.2848 7.2848 9.0420 9.0420 9.0420 9.0420 10.3603 10.3603 10.3603 10.3603 11.5229 11.5229 k = 0.3125 0.1804 0.2451 ( 6170 PWs) bands (ev): -19.5733 -19.5733 -19.5733 -19.5733 -6.2955 -6.2955 -6.2955 -6.2955 -4.4177 -4.4177 -4.4177 -4.4177 -4.2480 -4.2480 -4.2480 -4.2480 -0.6097 -0.6097 -0.6097 -0.6097 4.3348 4.3348 4.3348 4.3348 5.1744 5.1744 5.1744 5.1744 5.3441 5.3441 5.3441 5.3441 5.6141 5.6141 5.6141 5.6141 5.7697 5.7697 5.7697 5.7697 5.9994 5.9994 5.9994 5.9994 6.9027 6.9027 6.9027 6.9027 7.2435 7.2435 7.2435 7.2435 8.9992 8.9992 8.9992 8.9992 10.3455 10.3455 10.3455 10.3455 11.5996 11.5996 k = 0.3250 0.1876 0.2451 ( 6162 PWs) bands (ev): -19.5726 -19.5726 -19.5726 -19.5726 -6.2984 -6.2984 -6.2984 -6.2984 -4.4224 -4.4224 -4.4224 -4.4224 -4.2499 -4.2499 -4.2499 -4.2499 -0.5910 -0.5910 -0.5910 -0.5910 4.2957 4.2957 4.2957 4.2957 5.1899 5.1899 5.1899 5.1899 5.3416 5.3416 5.3416 5.3416 5.6130 5.6130 5.6130 5.6130 5.7699 5.7699 5.7699 5.7699 5.9594 5.9594 5.9594 5.9594 6.9241 6.9241 6.9241 6.9241 7.2071 7.2071 7.2071 7.2071 8.9599 8.9599 8.9599 8.9599 10.3296 10.3296 10.3296 10.3296 11.6783 11.6783 k = 0.3375 0.1949 0.2451 ( 6152 PWs) bands (ev): -19.5719 -19.5719 -19.5719 -19.5719 -6.3011 -6.3011 -6.3011 -6.3011 -4.4271 -4.4271 -4.4271 -4.4271 -4.2514 -4.2514 -4.2514 -4.2514 -0.5730 -0.5730 -0.5730 -0.5730 4.2571 4.2571 4.2571 4.2571 5.2051 5.2051 5.2051 5.2051 5.3392 5.3392 5.3392 5.3392 5.6117 5.6117 5.6117 5.6117 5.7697 5.7697 5.7697 5.7697 5.9233 5.9233 5.9233 5.9233 6.9397 6.9397 6.9397 6.9397 7.1779 7.1779 7.1779 7.1779 8.9243 8.9243 8.9243 8.9243 10.3124 10.3124 10.3124 10.3124 11.7587 11.7587 k = 0.3500 0.2021 0.2451 ( 6154 PWs) bands (ev): -19.5712 -19.5712 -19.5712 -19.5712 -6.3038 -6.3038 -6.3038 -6.3038 -4.4318 -4.4318 -4.4318 -4.4318 -4.2524 -4.2524 -4.2524 -4.2524 -0.5556 -0.5556 -0.5556 -0.5556 4.2195 4.2195 4.2195 4.2195 5.2198 5.2198 5.2198 5.2198 5.3369 5.3369 5.3369 5.3369 5.6104 5.6104 5.6104 5.6104 5.7692 5.7692 5.7692 5.7692 5.8913 5.8913 5.8913 5.8913 6.9462 6.9462 6.9462 6.9462 7.1587 7.1587 7.1587 7.1587 8.8924 8.8924 8.8924 8.8924 10.2939 10.2939 10.2939 10.2939 11.8404 11.8404 k = 0.3625 0.2093 0.2451 ( 6148 PWs) bands (ev): -19.5705 -19.5705 -19.5705 -19.5705 -6.3063 -6.3063 -6.3063 -6.3063 -4.4365 -4.4365 -4.4365 -4.4365 -4.2531 -4.2531 -4.2531 -4.2531 -0.5391 -0.5391 -0.5391 -0.5391 4.1831 4.1831 4.1831 4.1831 5.2338 5.2338 5.2338 5.2338 5.3349 5.3349 5.3349 5.3349 5.6090 5.6090 5.6090 5.6090 5.7684 5.7684 5.7684 5.7684 5.8634 5.8634 5.8634 5.8634 6.9418 6.9418 6.9418 6.9418 7.1515 7.1515 7.1515 7.1515 8.8642 8.8642 8.8642 8.8642 10.2743 10.2743 10.2743 10.2743 11.9230 11.9230 k = 0.3750 0.2165 0.2451 ( 6164 PWs) bands (ev): -19.5699 -19.5699 -19.5699 -19.5699 -6.3087 -6.3087 -6.3087 -6.3087 -4.4410 -4.4410 -4.4410 -4.4410 -4.2536 -4.2536 -4.2536 -4.2536 -0.5235 -0.5235 -0.5235 -0.5235 4.1484 4.1484 4.1484 4.1484 5.2468 5.2468 5.2468 5.2468 5.3334 5.3334 5.3334 5.3334 5.6074 5.6074 5.6074 5.6074 5.7670 5.7670 5.7670 5.7670 5.8394 5.8394 5.8394 5.8394 6.9276 6.9276 6.9276 6.9276 7.1548 7.1548 7.1548 7.1548 8.8397 8.8397 8.8397 8.8397 10.2537 10.2537 10.2537 10.2537 12.0062 12.0062 k = 0.3875 0.2237 0.2451 ( 6156 PWs) bands (ev): -19.5693 -19.5693 -19.5693 -19.5693 -6.3109 -6.3109 -6.3109 -6.3109 -4.4452 -4.4452 -4.4452 -4.4452 -4.2538 -4.2538 -4.2538 -4.2538 -0.5090 -0.5090 -0.5090 -0.5090 4.1158 4.1158 4.1158 4.1158 5.2585 5.2585 5.2585 5.2585 5.3325 5.3325 5.3325 5.3325 5.6059 5.6059 5.6059 5.6059 5.7648 5.7648 5.7648 5.7648 5.8195 5.8195 5.8195 5.8195 6.9073 6.9073 6.9073 6.9073 7.1649 7.1649 7.1649 7.1649 8.8187 8.8187 8.8187 8.8187 10.2326 10.2326 10.2326 10.2326 12.0894 12.0894 k = 0.4000 0.2309 0.2451 ( 6168 PWs) bands (ev): -19.5688 -19.5688 -19.5688 -19.5688 -6.3130 -6.3130 -6.3130 -6.3130 -4.4492 -4.4492 -4.4492 -4.4492 -4.2539 -4.2539 -4.2539 -4.2539 -0.4956 -0.4956 -0.4956 -0.4956 4.0856 4.0856 4.0856 4.0856 5.2686 5.2686 5.2686 5.2686 5.3325 5.3325 5.3325 5.3325 5.6044 5.6044 5.6044 5.6044 5.7613 5.7613 5.7613 5.7613 5.8039 5.8039 5.8039 5.8039 6.8845 6.8845 6.8845 6.8845 7.1782 7.1782 7.1782 7.1782 8.8011 8.8011 8.8011 8.8011 10.2115 10.2115 10.2115 10.2115 12.1721 12.1721 k = 0.4125 0.2382 0.2451 ( 6168 PWs) bands (ev): -19.5683 -19.5683 -19.5683 -19.5683 -6.3148 -6.3148 -6.3148 -6.3148 -4.4529 -4.4529 -4.4529 -4.4529 -4.2538 -4.2538 -4.2538 -4.2538 -0.4836 -0.4836 -0.4836 -0.4836 4.0580 4.0580 4.0580 4.0580 5.2767 5.2767 5.2767 5.2767 5.3337 5.3337 5.3337 5.3337 5.6030 5.6030 5.6030 5.6030 5.7562 5.7562 5.7562 5.7562 5.7930 5.7930 5.7930 5.7930 6.8616 6.8616 6.8616 6.8616 7.1924 7.1924 7.1924 7.1924 8.7867 8.7867 8.7867 8.7867 10.1909 10.1909 10.1909 10.1909 12.2536 12.2536 k = 0.4250 0.2454 0.2451 ( 6168 PWs) bands (ev): -19.5679 -19.5679 -19.5679 -19.5679 -6.3164 -6.3164 -6.3164 -6.3164 -4.4561 -4.4561 -4.4561 -4.4561 -4.2537 -4.2537 -4.2537 -4.2537 -0.4729 -0.4729 -0.4729 -0.4729 4.0335 4.0335 4.0335 4.0335 5.2828 5.2828 5.2828 5.2828 5.3359 5.3359 5.3359 5.3359 5.6017 5.6017 5.6017 5.6017 5.7496 5.7496 5.7496 5.7496 5.7861 5.7861 5.7861 5.7861 6.8400 6.8400 6.8400 6.8400 7.2060 7.2060 7.2060 7.2060 8.7752 8.7752 8.7752 8.7752 10.1714 10.1714 10.1714 10.1714 12.3332 12.3332 k = 0.4375 0.2526 0.2451 ( 6168 PWs) bands (ev): -19.5676 -19.5676 -19.5676 -19.5676 -6.3178 -6.3178 -6.3178 -6.3178 -4.4589 -4.4589 -4.4589 -4.4589 -4.2535 -4.2535 -4.2535 -4.2535 -0.4637 -0.4637 -0.4637 -0.4637 4.0123 4.0123 4.0123 4.0123 5.2869 5.2869 5.2869 5.2869 5.3390 5.3390 5.3390 5.3390 5.6005 5.6005 5.6005 5.6005 5.7426 5.7426 5.7426 5.7426 5.7821 5.7821 5.7821 5.7821 6.8207 6.8207 6.8207 6.8207 7.2183 7.2183 7.2183 7.2183 8.7662 8.7662 8.7662 8.7662 10.1536 10.1536 10.1536 10.1536 12.4098 12.4098 k = 0.4500 0.2598 0.2451 ( 6168 PWs) bands (ev): -19.5673 -19.5673 -19.5673 -19.5673 -6.3190 -6.3190 -6.3190 -6.3190 -4.4613 -4.4613 -4.4613 -4.4613 -4.2534 -4.2534 -4.2534 -4.2534 -0.4561 -0.4561 -0.4561 -0.4561 3.9946 3.9946 3.9946 3.9946 5.2895 5.2895 5.2895 5.2895 5.3425 5.3425 5.3425 5.3425 5.5995 5.5995 5.5995 5.5995 5.7363 5.7363 5.7363 5.7363 5.7798 5.7798 5.7798 5.7798 6.8042 6.8042 6.8042 6.8042 7.2288 7.2288 7.2288 7.2288 8.7594 8.7594 8.7594 8.7594 10.1381 10.1381 10.1381 10.1381 12.4820 12.4820 k = 0.4625 0.2670 0.2451 ( 6176 PWs) bands (ev): -19.5671 -19.5671 -19.5671 -19.5671 -6.3199 -6.3199 -6.3199 -6.3199 -4.4631 -4.4631 -4.4631 -4.4631 -4.2532 -4.2532 -4.2532 -4.2532 -0.4501 -0.4501 -0.4501 -0.4501 3.9807 3.9807 3.9807 3.9807 5.2910 5.2910 5.2910 5.2910 5.3457 5.3457 5.3457 5.3457 5.5987 5.5987 5.5987 5.5987 5.7312 5.7312 5.7312 5.7312 5.7783 5.7783 5.7783 5.7783 6.7910 6.7910 6.7910 6.7910 7.2371 7.2371 7.2371 7.2371 8.7546 8.7546 8.7546 8.7546 10.1254 10.1254 10.1254 10.1254 12.5476 12.5476 k = 0.4750 0.2742 0.2451 ( 6182 PWs) bands (ev): -19.5669 -19.5669 -19.5669 -19.5669 -6.3206 -6.3206 -6.3206 -6.3206 -4.4645 -4.4645 -4.4645 -4.4645 -4.2531 -4.2531 -4.2531 -4.2531 -0.4457 -0.4457 -0.4457 -0.4457 3.9706 3.9706 3.9706 3.9706 5.2918 5.2918 5.2918 5.2918 5.3484 5.3484 5.3484 5.3484 5.5981 5.5981 5.5981 5.5981 5.7275 5.7275 5.7275 5.7275 5.7774 5.7774 5.7774 5.7774 6.7814 6.7814 6.7814 6.7814 7.2431 7.2431 7.2431 7.2431 8.7514 8.7514 8.7514 8.7514 10.1160 10.1160 10.1160 10.1160 12.6028 12.6028 k = 0.4875 0.2815 0.2451 ( 6178 PWs) bands (ev): -19.5668 -19.5668 -19.5668 -19.5668 -6.3210 -6.3210 -6.3210 -6.3210 -4.4653 -4.4653 -4.4653 -4.4653 -4.2530 -4.2530 -4.2530 -4.2530 -0.4431 -0.4431 -0.4431 -0.4431 3.9645 3.9645 3.9645 3.9645 5.2922 5.2922 5.2922 5.2922 5.3500 5.3500 5.3500 5.3500 5.5978 5.5978 5.5978 5.5978 5.7252 5.7252 5.7252 5.7252 5.7770 5.7770 5.7770 5.7770 6.7755 6.7755 6.7755 6.7755 7.2468 7.2468 7.2468 7.2468 8.7495 8.7495 8.7495 8.7495 10.1103 10.1103 10.1103 10.1103 12.6416 12.6416 k = 0.5000 0.2887 0.2451 ( 6172 PWs) bands (ev): -19.5668 -19.5668 -19.5668 -19.5668 -6.3211 -6.3211 -6.3211 -6.3211 -4.4655 -4.4655 -4.4655 -4.4655 -4.2530 -4.2530 -4.2530 -4.2530 -0.4422 -0.4422 -0.4422 -0.4422 3.9625 3.9625 3.9625 3.9625 5.2924 5.2924 5.2924 5.2924 5.3506 5.3506 5.3506 5.3506 5.5977 5.5977 5.5977 5.5977 5.7245 5.7245 5.7245 5.7245 5.7768 5.7768 5.7768 5.7768 6.7735 6.7735 6.7735 6.7735 7.2480 7.2480 7.2480 7.2480 8.7490 8.7490 8.7490 8.7490 10.1083 10.1083 10.1083 10.1083 12.6560 12.6560 k = 0.5000 0.2887 0.2451 ( 6172 PWs) bands (ev): -19.5668 -19.5668 -19.5668 -19.5668 -6.3211 -6.3211 -6.3211 -6.3211 -4.4655 -4.4655 -4.4655 -4.4655 -4.2530 -4.2530 -4.2530 -4.2530 -0.4422 -0.4422 -0.4422 -0.4422 3.9625 3.9625 3.9625 3.9625 5.2924 5.2924 5.2924 5.2924 5.3506 5.3506 5.3506 5.3506 5.5977 5.5977 5.5977 5.5977 5.7245 5.7245 5.7245 5.7245 5.7768 5.7768 5.7768 5.7768 6.7735 6.7735 6.7735 6.7735 7.2480 7.2480 7.2480 7.2480 8.7490 8.7490 8.7490 8.7490 10.1083 10.1083 10.1083 10.1083 12.6560 12.6560 k = 0.4928 0.3012 0.2451 ( 6180 PWs) bands (ev): -19.5668 -19.5668 -19.5668 -19.5668 -6.3215 -6.3215 -6.3208 -6.3208 -4.4663 -4.4663 -4.4645 -4.4645 -4.2535 -4.2535 -4.2531 -4.2531 -0.4440 -0.4440 -0.4398 -0.4398 3.9600 3.9600 3.9660 3.9660 5.2847 5.2847 5.2990 5.2990 5.3438 5.3438 5.3582 5.3582 5.5919 5.5919 5.6036 5.6036 5.7236 5.7236 5.7250 5.7250 5.7767 5.7767 5.7772 5.7772 6.7647 6.7647 6.7724 6.7724 7.2472 7.2472 7.2487 7.2487 8.7483 8.7483 8.7538 8.7538 10.1115 10.1115 10.1205 10.1205 12.6272 12.6272 k = 0.4855 0.3138 0.2451 ( 6178 PWs) bands (ev): -19.5667 -19.5667 -19.5667 -19.5667 -6.3219 -6.3219 -6.3205 -6.3205 -4.4668 -4.4668 -4.4631 -4.4631 -4.2546 -4.2546 -4.2539 -4.2539 -0.4450 -0.4450 -0.4367 -0.4367 3.9584 3.9584 3.9705 3.9705 5.2766 5.2766 5.3033 5.3033 5.3390 5.3390 5.3661 5.3661 5.5863 5.5863 5.6094 5.6094 5.7223 5.7223 5.7253 5.7253 5.7767 5.7767 5.7778 5.7778 6.7462 6.7462 6.7615 6.7615 7.2463 7.2463 7.2492 7.2492 8.7517 8.7517 8.7626 8.7626 10.1301 10.1301 10.1480 10.1480 12.5727 12.5727 k = 0.4783 0.3263 0.2451 ( 6182 PWs) bands (ev): -19.5667 -19.5667 -19.5667 -19.5667 -6.3223 -6.3223 -6.3203 -6.3203 -4.4670 -4.4670 -4.4615 -4.4615 -4.2564 -4.2564 -4.2553 -4.2553 -0.4454 -0.4454 -0.4329 -0.4329 3.9578 3.9578 3.9759 3.9759 5.2685 5.2685 5.3034 5.3034 5.3379 5.3379 5.3739 5.3739 5.5808 5.5808 5.6152 5.6152 5.7208 5.7208 5.7252 5.7252 5.7770 5.7770 5.7786 5.7786 6.7188 6.7188 6.7411 6.7411 7.2456 7.2456 7.2497 7.2497 8.7590 8.7590 8.7750 8.7750 10.1636 10.1636 10.1901 10.1901 12.5069 12.5069 k = 0.4710 0.3389 0.2451 ( 6178 PWs) bands (ev): -19.5666 -19.5666 -19.5666 -19.5666 -6.3227 -6.3227 -6.3200 -6.3200 -4.4669 -4.4669 -4.4595 -4.4595 -4.2587 -4.2587 -4.2574 -4.2574 -0.4451 -0.4451 -0.4286 -0.4286 3.9579 3.9579 3.9823 3.9823 5.2606 5.2606 5.2990 5.2990 5.3408 5.3408 5.3817 5.3817 5.5757 5.5757 5.6209 5.6209 5.7188 5.7188 5.7250 5.7250 5.7775 5.7775 5.7795 5.7795 6.6833 6.6833 6.7119 6.7119 7.2452 7.2452 7.2501 7.2501 8.7695 8.7695 8.7905 8.7905 10.2114 10.2114 10.2461 10.2461 12.4374 12.4374 k = 0.4638 0.3514 0.2451 ( 6170 PWs) bands (ev): -19.5665 -19.5665 -19.5665 -19.5665 -6.3232 -6.3232 -6.3199 -6.3199 -4.4666 -4.4666 -4.4573 -4.4573 -4.2616 -4.2616 -4.2600 -4.2600 -0.4441 -0.4441 -0.4237 -0.4237 3.9586 3.9586 3.9895 3.9895 5.2533 5.2533 5.2921 5.2921 5.3459 5.3459 5.3895 5.3895 5.5708 5.5708 5.6264 5.6264 5.7165 5.7165 5.7245 5.7245 5.7782 5.7782 5.7805 5.7805 6.6410 6.6410 6.6750 6.6750 7.2453 7.2453 7.2509 7.2509 8.7827 8.7827 8.8085 8.8085 10.2726 10.2726 10.3150 10.3150 12.3680 12.3680 k = 0.4565 0.3640 0.2451 ( 6170 PWs) bands (ev): -19.5664 -19.5664 -19.5664 -19.5664 -6.3237 -6.3237 -6.3197 -6.3197 -4.4660 -4.4660 -4.4548 -4.4548 -4.2649 -4.2649 -4.2633 -4.2633 -0.4425 -0.4425 -0.4182 -0.4182 3.9598 3.9598 3.9974 3.9974 5.2467 5.2467 5.2842 5.2842 5.3515 5.3515 5.3971 5.3971 5.5663 5.5663 5.6316 5.6316 5.7138 5.7138 5.7238 5.7238 5.7791 5.7791 5.7815 5.7815 6.5932 6.5932 6.6316 6.6316 7.2459 7.2459 7.2519 7.2519 8.7980 8.7980 8.8284 8.8284 10.3459 10.3459 10.3956 10.3956 12.3009 12.3009 k = 0.4493 0.3765 0.2451 ( 6162 PWs) bands (ev): -19.5663 -19.5663 -19.5663 -19.5663 -6.3243 -6.3243 -6.3197 -6.3197 -4.4651 -4.4651 -4.4520 -4.4520 -4.2687 -4.2687 -4.2670 -4.2670 -0.4404 -0.4404 -0.4123 -0.4123 3.9614 3.9614 4.0059 4.0059 5.2410 5.2410 5.2760 5.2760 5.3573 5.3573 5.4047 5.4047 5.5621 5.5621 5.6365 5.6365 5.7108 5.7108 5.7231 5.7231 5.7800 5.7800 5.7825 5.7825 6.5414 6.5414 6.5828 6.5828 7.2471 7.2471 7.2534 7.2534 8.8148 8.8148 8.8497 8.8497 10.4298 10.4298 10.4864 10.4864 12.2376 12.2376 k = 0.4420 0.3891 0.2451 ( 6158 PWs) bands (ev): -19.5661 -19.5661 -19.5661 -19.5661 -6.3248 -6.3248 -6.3196 -6.3196 -4.4641 -4.4641 -4.4490 -4.4490 -4.2728 -4.2728 -4.2713 -4.2713 -0.4377 -0.4377 -0.4060 -0.4060 3.9630 3.9630 4.0147 4.0147 5.2364 5.2364 5.2680 5.2680 5.3626 5.3626 5.4123 5.4123 5.5581 5.5581 5.6410 5.6410 5.7074 5.7074 5.7222 5.7222 5.7811 5.7811 5.7833 5.7833 6.4868 6.4868 6.5300 6.5300 7.2488 7.2488 7.2552 7.2552 8.8326 8.8326 8.8718 8.8718 10.5228 10.5228 10.5860 10.5860 12.1788 12.1788 k = 0.4348 0.4016 0.2451 ( 6154 PWs) bands (ev): -19.5660 -19.5660 -19.5660 -19.5660 -6.3254 -6.3254 -6.3196 -6.3196 -4.4630 -4.4630 -4.4458 -4.4458 -4.2772 -4.2772 -4.2759 -4.2759 -0.4345 -0.4345 -0.3995 -0.3995 3.9647 3.9647 4.0237 4.0237 5.2331 5.2331 5.2606 5.2606 5.3675 5.3675 5.4199 5.4199 5.5543 5.5543 5.6451 5.6451 5.7037 5.7037 5.7214 5.7214 5.7822 5.7822 5.7838 5.7838 6.4308 6.4308 6.4744 6.4744 7.2509 7.2509 7.2575 7.2575 8.8510 8.8510 8.8944 8.8944 10.6231 10.6231 10.6926 10.6926 12.1255 12.1255 k = 0.4275 0.4142 0.2451 ( 6158 PWs) bands (ev): -19.5658 -19.5658 -19.5658 -19.5658 -6.3259 -6.3259 -6.3197 -6.3197 -4.4616 -4.4616 -4.4424 -4.4424 -4.2818 -4.2818 -4.2810 -4.2810 -0.4310 -0.4310 -0.3927 -0.3927 3.9661 3.9661 4.0326 4.0326 5.2312 5.2312 5.2540 5.2540 5.3719 5.3719 5.4276 5.4276 5.5506 5.5506 5.6488 5.6488 5.6997 5.6997 5.7206 5.7206 5.7833 5.7833 5.7840 5.7840 6.3745 6.3745 6.4171 6.4171 7.2534 7.2534 7.2601 7.2601 8.8697 8.8697 8.9171 8.9171 10.7286 10.7286 10.8044 10.8044 12.0784 12.0784 k = 0.4203 0.4267 0.2451 ( 6176 PWs) bands (ev): -19.5656 -19.5656 -19.5656 -19.5656 -6.3265 -6.3265 -6.3197 -6.3197 -4.4602 -4.4602 -4.4388 -4.4388 -4.2866 -4.2866 -4.2863 -4.2863 -0.4271 -0.4271 -0.3857 -0.3857 3.9672 3.9672 4.0412 4.0412 5.2308 5.2308 5.2486 5.2486 5.3755 5.3755 5.4354 5.4354 5.5467 5.5467 5.6518 5.6518 5.6954 5.6954 5.7200 5.7200 5.7838 5.7838 5.7845 5.7845 6.3190 6.3190 6.3592 6.3592 7.2561 7.2561 7.2629 7.2629 8.8881 8.8881 8.9395 8.9395 10.8374 10.8374 10.9195 10.9195 12.0379 12.0379 k = 0.4130 0.4393 0.2451 ( 6172 PWs) bands (ev): -19.5655 -19.5655 -19.5655 -19.5655 -6.3271 -6.3271 -6.3198 -6.3198 -4.4587 -4.4587 -4.4352 -4.4352 -4.2918 -4.2918 -4.2913 -4.2913 -0.4230 -0.4230 -0.3787 -0.3787 3.9678 3.9678 4.0492 4.0492 5.2322 5.2322 5.2448 5.2448 5.3785 5.3785 5.4435 5.4435 5.5426 5.5426 5.6542 5.6542 5.6910 5.6910 5.7196 5.7196 5.7831 5.7831 5.7858 5.7858 6.2652 6.2652 6.3016 6.3016 7.2590 7.2590 7.2659 7.2659 8.9062 8.9062 8.9613 8.9613 10.9471 10.9471 11.0358 11.0358 12.0048 12.0048 k = 0.4058 0.4518 0.2451 ( 6182 PWs) bands (ev): -19.5653 -19.5653 -19.5653 -19.5653 -6.3277 -6.3277 -6.3200 -6.3200 -4.4572 -4.4572 -4.4314 -4.4314 -4.2974 -4.2974 -4.2960 -4.2960 -0.4188 -0.4188 -0.3718 -0.3718 3.9678 3.9678 4.0565 4.0565 5.2351 5.2351 5.2426 5.2426 5.3807 5.3807 5.4518 5.4518 5.5380 5.5380 5.6559 5.6559 5.6865 5.6865 5.7194 5.7194 5.7818 5.7818 5.7872 5.7872 6.2138 6.2138 6.2452 6.2452 7.2621 7.2621 7.2690 7.2690 8.9234 8.9234 8.9822 8.9822 11.0554 11.0554 11.1507 11.1507 11.9792 11.9792 k = 0.3986 0.4644 0.2451 ( 6182 PWs) bands (ev): -19.5651 -19.5651 -19.5651 -19.5651 -6.3282 -6.3282 -6.3201 -6.3201 -4.4558 -4.4558 -4.4276 -4.4276 -4.3031 -4.3031 -4.3006 -4.3006 -0.4144 -0.4144 -0.3651 -0.3651 3.9672 3.9672 4.0629 4.0629 5.2397 5.2397 5.2425 5.2425 5.3821 5.3821 5.4605 5.4605 5.5327 5.5327 5.6569 5.6569 5.6821 5.6821 5.7197 5.7197 5.7798 5.7798 5.7887 5.7887 6.1658 6.1658 6.1908 6.1908 7.2651 7.2651 7.2722 7.2722 8.9397 8.9397 9.0018 9.0018 11.1598 11.1598 11.2620 11.2620 11.9615 11.9615 k = 0.3913 0.4769 0.2451 ( 6174 PWs) bands (ev): -19.5649 -19.5649 -19.5649 -19.5649 -6.3288 -6.3288 -6.3203 -6.3203 -4.4543 -4.4543 -4.4238 -4.4238 -4.3087 -4.3087 -4.3049 -4.3049 -0.4101 -0.4101 -0.3586 -0.3586 3.9660 3.9660 4.0682 4.0682 5.2445 5.2445 5.2456 5.2456 5.3827 5.3827 5.4697 5.4697 5.5265 5.5265 5.6572 5.6572 5.6780 5.6780 5.7202 5.7202 5.7770 5.7770 5.7904 5.7904 6.1215 6.1215 6.1393 6.1393 7.2681 7.2681 7.2752 7.2752 8.9546 8.9546 9.0199 9.0199 11.2582 11.2582 11.3673 11.3673 11.9517 11.9517 k = 0.3841 0.4895 0.2451 ( 6178 PWs) bands (ev): -19.5648 -19.5648 -19.5648 -19.5648 -6.3293 -6.3293 -6.3205 -6.3205 -4.4530 -4.4530 -4.4201 -4.4201 -4.3141 -4.3141 -4.3089 -4.3089 -0.4060 -0.4060 -0.3525 -0.3525 3.9642 3.9642 4.0724 4.0724 5.2488 5.2488 5.2526 5.2526 5.3821 5.3821 5.4793 5.4793 5.5196 5.5196 5.6568 5.6568 5.6741 5.6741 5.7211 5.7211 5.7732 5.7732 5.7922 5.7922 6.0814 6.0814 6.0914 6.0914 7.2710 7.2710 7.2781 7.2781 8.9680 8.9680 9.0362 9.0362 11.3488 11.3488 11.4646 11.4646 11.9493 11.9493 k = 0.3768 0.5020 0.2451 ( 6182 PWs) bands (ev): -19.5646 -19.5646 -19.5646 -19.5646 -6.3298 -6.3298 -6.3208 -6.3208 -4.4519 -4.4519 -4.4166 -4.4166 -4.3192 -4.3192 -4.3125 -4.3125 -0.4021 -0.4021 -0.3469 -0.3469 3.9619 3.9619 4.0755 4.0755 5.2554 5.2554 5.2603 5.2603 5.3803 5.3803 5.4895 5.4895 5.5119 5.5119 5.6558 5.6558 5.6708 5.6708 5.7221 5.7221 5.7683 5.7683 5.7943 5.7943 6.0459 6.0459 6.0480 6.0480 7.2737 7.2737 7.2808 7.2808 8.9797 8.9797 9.0505 9.0505 11.4308 11.4308 11.5531 11.5531 11.9536 11.9536 k = 0.3696 0.5146 0.2451 ( 6176 PWs) bands (ev): -19.5645 -19.5645 -19.5645 -19.5645 -6.3302 -6.3302 -6.3210 -6.3210 -4.4509 -4.4509 -4.4134 -4.4134 -4.3238 -4.3238 -4.3156 -4.3156 -0.3985 -0.3985 -0.3418 -0.3418 3.9594 3.9594 4.0774 4.0774 5.2642 5.2642 5.2684 5.2684 5.3770 5.3770 5.5000 5.5000 5.5038 5.5038 5.6544 5.6544 5.6680 5.6680 5.7233 5.7233 5.7623 5.7623 5.7966 5.7966 6.0100 6.0100 6.0153 6.0153 7.2761 7.2761 7.2833 7.2833 8.9895 8.9895 9.0626 9.0626 11.5040 11.5040 11.6331 11.6331 11.9633 11.9633 k = 0.3623 0.5271 0.2451 ( 6176 PWs) bands (ev): -19.5644 -19.5644 -19.5644 -19.5644 -6.3306 -6.3306 -6.3212 -6.3212 -4.4501 -4.4501 -4.4106 -4.4106 -4.3279 -4.3279 -4.3182 -4.3182 -0.3953 -0.3953 -0.3375 -0.3375 3.9568 3.9568 4.0785 4.0785 5.2749 5.2749 5.2761 5.2761 5.3719 5.3719 5.4960 5.4960 5.5106 5.5106 5.6528 5.6528 5.6658 5.6658 5.7244 5.7244 5.7552 5.7552 5.7991 5.7991 5.9782 5.9782 5.9897 5.9897 7.2781 7.2781 7.2854 7.2854 8.9974 8.9974 9.0723 9.0723 11.5689 11.5689 11.7059 11.7059 11.9773 11.9773 k = 0.3551 0.5397 0.2451 ( 6188 PWs) bands (ev): -19.5643 -19.5643 -19.5643 -19.5643 -6.3309 -6.3309 -6.3213 -6.3213 -4.4496 -4.4496 -4.4082 -4.4082 -4.3312 -4.3312 -4.3202 -4.3202 -0.3927 -0.3927 -0.3340 -0.3340 3.9542 3.9542 4.0788 4.0788 5.2829 5.2829 5.2873 5.2873 5.3648 5.3648 5.4890 5.4890 5.5207 5.5207 5.6510 5.6510 5.6641 5.6641 5.7253 5.7253 5.7475 5.7475 5.8015 5.8015 5.9533 5.9533 5.9692 5.9692 7.2798 7.2798 7.2870 7.2870 9.0033 9.0033 9.0797 9.0797 11.6257 11.6257 11.7734 11.7734 11.9927 11.9927 k = 0.3478 0.5522 0.2451 ( 6188 PWs) bands (ev): -19.5642 -19.5642 -19.5642 -19.5642 -6.3312 -6.3312 -6.3215 -6.3215 -4.4492 -4.4492 -4.4065 -4.4065 -4.3337 -4.3337 -4.3216 -4.3216 -0.3908 -0.3908 -0.3314 -0.3314 3.9521 3.9521 4.0786 4.0786 5.2883 5.2883 5.3007 5.3007 5.3556 5.3556 5.4835 5.4835 5.5293 5.5293 5.6495 5.6495 5.6629 5.6629 5.7259 5.7259 5.7403 5.7403 5.8037 5.8037 5.9356 5.9356 5.9543 5.9543 7.2811 7.2811 7.2883 7.2883 9.0073 9.0073 9.0847 9.0847 11.6733 11.6733 11.8364 11.8364 12.0100 12.0100 k = 0.3406 0.5648 0.2451 ( 6190 PWs) bands (ev): -19.5642 -19.5642 -19.5641 -19.5641 -6.3313 -6.3313 -6.3216 -6.3216 -4.4490 -4.4490 -4.4055 -4.4055 -4.3352 -4.3352 -4.3224 -4.3224 -0.3895 -0.3895 -0.3297 -0.3297 3.9507 3.9507 4.0782 4.0782 5.2918 5.2918 5.3140 5.3140 5.3450 5.3450 5.4800 5.4800 5.5352 5.5352 5.6485 5.6485 5.6622 5.6622 5.7260 5.7260 5.7353 5.7353 5.8052 5.8052 5.9252 5.9252 5.9452 5.9452 7.2819 7.2819 7.2891 7.2891 9.0096 9.0096 9.0876 9.0876 11.7076 11.7076 11.8921 11.8921 12.0268 12.0268 k = 0.3333 0.5774 0.2451 ( 6180 PWs) bands (ev): -19.5641 -19.5641 -19.5641 -19.5641 -6.3314 -6.3314 -6.3216 -6.3216 -4.4489 -4.4489 -4.4051 -4.4051 -4.3357 -4.3357 -4.3227 -4.3227 -0.3891 -0.3891 -0.3292 -0.3292 3.9501 3.9501 4.0780 4.0780 5.2930 5.2930 5.3226 5.3226 5.3375 5.3375 5.4789 5.4789 5.5374 5.5374 5.6482 5.6482 5.6620 5.6620 5.7259 5.7259 5.7335 5.7335 5.8058 5.8058 5.9218 5.9218 5.9421 5.9421 7.2822 7.2822 7.2894 7.2894 9.0103 9.0103 9.0886 9.0886 11.7211 11.7211 11.9218 11.9218 12.0340 12.0340 k = 0.3333 0.5774 0.2451 ( 6180 PWs) bands (ev): -19.5641 -19.5641 -19.5641 -19.5641 -6.3314 -6.3314 -6.3216 -6.3216 -4.4489 -4.4489 -4.4051 -4.4051 -4.3357 -4.3357 -4.3227 -4.3227 -0.3891 -0.3891 -0.3292 -0.3292 3.9501 3.9501 4.0780 4.0780 5.2930 5.2930 5.3226 5.3226 5.3375 5.3375 5.4789 5.4789 5.5374 5.5374 5.6482 5.6482 5.6620 5.6620 5.7259 5.7259 5.7335 5.7335 5.8058 5.8058 5.9218 5.9218 5.9421 5.9421 7.2822 7.2822 7.2894 7.2894 9.0103 9.0103 9.0886 9.0886 11.7211 11.7211 11.9218 11.9218 12.0340 12.0340 k = 0.3261 0.5648 0.2451 ( 6194 PWs) bands (ev): -19.5642 -19.5642 -19.5641 -19.5641 -6.3313 -6.3313 -6.3216 -6.3216 -4.4490 -4.4490 -4.4054 -4.4054 -4.3352 -4.3352 -4.3225 -4.3225 -0.3896 -0.3896 -0.3298 -0.3298 3.9507 3.9507 4.0783 4.0783 5.2918 5.2918 5.3139 5.3139 5.3450 5.3450 5.4800 5.4800 5.5353 5.5353 5.6485 5.6485 5.6622 5.6622 5.7259 5.7259 5.7354 5.7354 5.8052 5.8052 5.9251 5.9251 5.9451 5.9451 7.2819 7.2819 7.2891 7.2891 9.0097 9.0097 9.0877 9.0877 11.7059 11.7059 11.8844 11.8844 12.0333 12.0333 k = 0.3188 0.5522 0.2451 ( 6182 PWs) bands (ev): -19.5642 -19.5642 -19.5642 -19.5642 -6.3312 -6.3312 -6.3214 -6.3214 -4.4490 -4.4490 -4.4062 -4.4062 -4.3339 -4.3339 -4.3217 -4.3217 -0.3910 -0.3910 -0.3316 -0.3316 3.9528 3.9528 4.0795 4.0795 5.2881 5.2881 5.3001 5.3001 5.3556 5.3556 5.4836 5.4836 5.5296 5.5296 5.6493 5.6493 5.6631 5.6631 5.7255 5.7255 5.7408 5.7408 5.8036 5.8036 5.9353 5.9353 5.9543 5.9543 7.2810 7.2810 7.2882 7.2882 9.0081 9.0081 9.0855 9.0855 11.6635 11.6635 11.8087 11.8087 12.0423 12.0423 k = 0.3116 0.5397 0.2451 ( 6182 PWs) bands (ev): -19.5643 -19.5643 -19.5643 -19.5643 -6.3308 -6.3308 -6.3212 -6.3212 -4.4491 -4.4491 -4.4074 -4.4074 -4.3319 -4.3319 -4.3206 -4.3206 -0.3934 -0.3934 -0.3346 -0.3346 3.9565 3.9565 4.0817 4.0817 5.2821 5.2821 5.2856 5.2856 5.3644 5.3644 5.4892 5.4892 5.5214 5.5214 5.6506 5.6506 5.6647 5.6647 5.7248 5.7248 5.7486 5.7486 5.8014 5.8014 5.9522 5.9522 5.9690 5.9690 7.2795 7.2795 7.2868 7.2868 9.0057 9.0057 9.0822 9.0822 11.6031 11.6031 11.7248 11.7248 12.0622 12.0622 k = 0.3043 0.5271 0.2451 ( 6180 PWs) bands (ev): -19.5644 -19.5644 -19.5644 -19.5644 -6.3304 -6.3304 -6.3209 -6.3209 -4.4490 -4.4490 -4.4087 -4.4087 -4.3294 -4.3294 -4.3190 -4.3190 -0.3969 -0.3969 -0.3390 -0.3390 3.9621 3.9621 4.0853 4.0853 5.2713 5.2713 5.2742 5.2742 5.3711 5.3711 5.4963 5.4963 5.5118 5.5118 5.6524 5.6524 5.6673 5.6673 5.7241 5.7241 5.7572 5.7572 5.7988 5.7988 5.9755 5.9755 5.9888 5.9888 7.2773 7.2773 7.2847 7.2847 9.0030 9.0030 9.0782 9.0782 11.5334 11.5334 11.6394 11.6394 12.0880 12.0880 k = 0.2971 0.5146 0.2451 ( 6168 PWs) bands (ev): -19.5646 -19.5646 -19.5646 -19.5646 -6.3298 -6.3298 -6.3204 -6.3204 -4.4488 -4.4488 -4.4101 -4.4101 -4.3264 -4.3264 -4.3172 -4.3172 -0.4015 -0.4015 -0.3446 -0.3446 3.9698 3.9698 4.0906 4.0906 5.2576 5.2576 5.2648 5.2648 5.3756 5.3756 5.5015 5.5015 5.5042 5.5042 5.6544 5.6544 5.6712 5.6712 5.7237 5.7237 5.7655 5.7655 5.7962 5.7962 6.0047 6.0047 6.0134 6.0134 7.2744 7.2744 7.2821 7.2821 9.0003 9.0003 9.0739 9.0739 11.4593 11.4593 11.5541 11.5541 12.1165 12.1165 k = 0.2899 0.5020 0.2451 ( 6166 PWs) bands (ev): -19.5648 -19.5648 -19.5648 -19.5648 -6.3290 -6.3290 -6.3199 -6.3199 -4.4484 -4.4484 -4.4114 -4.4114 -4.3232 -4.3232 -4.3151 -4.3151 -0.4072 -0.4072 -0.3517 -0.3517 3.9796 3.9796 4.0977 4.0977 5.2446 5.2446 5.2544 5.2544 5.3784 5.3784 5.4909 5.4909 5.5120 5.5120 5.6565 5.6565 5.6766 5.6766 5.7240 5.7240 5.7734 5.7734 5.7937 5.7937 6.0389 6.0389 6.0422 6.0422 7.2707 7.2707 7.2788 7.2788 8.9980 8.9980 9.0698 9.0698 11.3833 11.3833 11.4698 11.4698 12.1452 12.1452 k = 0.2826 0.4895 0.2451 ( 6158 PWs) bands (ev): -19.5651 -19.5651 -19.5651 -19.5651 -6.3281 -6.3281 -6.3192 -6.3192 -4.4478 -4.4478 -4.4125 -4.4125 -4.3198 -4.3198 -4.3128 -4.3128 -0.4141 -0.4141 -0.3600 -0.3600 3.9917 3.9917 4.1068 4.1068 5.2325 5.2325 5.2435 5.2435 5.3799 5.3799 5.4802 5.4802 5.5191 5.5191 5.6584 5.6584 5.6838 5.6838 5.7253 5.7253 5.7807 5.7807 5.7916 5.7916 6.0748 6.0748 6.0772 6.0772 7.2664 7.2664 7.2750 7.2750 8.9965 8.9965 9.0662 9.0662 11.3068 11.3068 11.3868 11.3868 12.1703 12.1703 k = 0.2754 0.4769 0.2451 ( 6162 PWs) bands (ev): -19.5654 -19.5654 -19.5654 -19.5654 -6.3269 -6.3269 -6.3183 -6.3183 -4.4468 -4.4468 -4.4134 -4.4134 -4.3163 -4.3163 -4.3103 -4.3103 -0.4221 -0.4221 -0.3697 -0.3697 4.0060 4.0060 4.1179 4.1179 5.2213 5.2213 5.2324 5.2324 5.3803 5.3803 5.4696 5.4696 5.5251 5.5251 5.6595 5.6595 5.6929 5.6929 5.7280 5.7280 5.7878 5.7878 5.7897 5.7897 6.1108 6.1108 6.1186 6.1186 7.2612 7.2612 7.2706 7.2706 8.9961 8.9961 9.0635 9.0635 11.2308 11.2308 11.3054 11.3054 12.1847 12.1847 k = 0.2681 0.4644 0.2451 ( 6162 PWs) bands (ev): -19.5657 -19.5657 -19.5657 -19.5657 -6.3256 -6.3256 -6.3173 -6.3173 -4.4456 -4.4456 -4.4140 -4.4140 -4.3127 -4.3127 -4.3077 -4.3077 -0.4313 -0.4313 -0.3807 -0.3807 4.0228 4.0228 4.1312 4.1312 5.2110 5.2110 5.2216 5.2216 5.3801 5.3801 5.4590 5.4590 5.5299 5.5299 5.6599 5.6599 5.7040 5.7040 5.7323 5.7323 5.7882 5.7882 5.7952 5.7952 6.1496 6.1496 6.1624 6.1624 7.2554 7.2554 7.2658 7.2658 8.9974 8.9974 9.0623 9.0623 11.1557 11.1557 11.2257 11.2257 12.1775 12.1775 k = 0.2609 0.4518 0.2451 ( 6162 PWs) bands (ev): -19.5661 -19.5661 -19.5661 -19.5661 -6.3242 -6.3242 -6.3161 -6.3161 -4.4441 -4.4441 -4.4143 -4.4143 -4.3091 -4.3091 -4.3049 -4.3049 -0.4416 -0.4416 -0.3929 -0.3929 4.0418 4.0418 4.1466 4.1466 5.2015 5.2015 5.2111 5.2111 5.3796 5.3796 5.4486 5.4486 5.5338 5.5338 5.6593 5.6593 5.7171 5.7171 5.7379 5.7379 5.7870 5.7870 5.8032 5.8032 6.1909 6.1909 6.2078 6.2078 7.2489 7.2489 7.2606 7.2606 9.0005 9.0005 9.0628 9.0628 11.0819 11.0819 11.1479 11.1479 12.1449 12.1449 k = 0.2536 0.4393 0.2451 ( 6160 PWs) bands (ev): -19.5666 -19.5666 -19.5666 -19.5666 -6.3225 -6.3225 -6.3148 -6.3148 -4.4423 -4.4423 -4.4143 -4.4143 -4.3054 -4.3054 -4.3021 -4.3021 -0.4530 -0.4530 -0.4064 -0.4064 4.0631 4.0631 4.1641 4.1641 5.1927 5.1927 5.2012 5.2012 5.3788 5.3788 5.4385 5.4385 5.5368 5.5368 5.6579 5.6579 5.7320 5.7320 5.7444 5.7444 5.7862 5.7862 5.8125 5.8125 6.2340 6.2340 6.2540 6.2540 7.2419 7.2419 7.2553 7.2553 9.0059 9.0059 9.0655 9.0655 11.0097 11.0097 11.0720 11.0720 12.0934 12.0934 k = 0.2464 0.4267 0.2451 ( 6160 PWs) bands (ev): -19.5670 -19.5670 -19.5670 -19.5670 -6.3207 -6.3207 -6.3133 -6.3133 -4.4401 -4.4401 -4.4139 -4.4139 -4.3017 -4.3017 -4.2991 -4.2991 -0.4654 -0.4654 -0.4210 -0.4210 4.0866 4.0866 4.1836 4.1836 5.1845 5.1845 5.1920 5.1920 5.3780 5.3780 5.4286 5.4286 5.5394 5.5394 5.6558 5.6558 5.7484 5.7484 5.7511 5.7511 5.7862 5.7862 5.8238 5.8238 6.2783 6.2783 6.3005 6.3005 7.2345 7.2345 7.2502 7.2502 9.0139 9.0139 9.0707 9.0707 10.9392 10.9392 10.9983 10.9983 12.0303 12.0303 k = 0.2391 0.4142 0.2451 ( 6152 PWs) bands (ev): -19.5676 -19.5676 -19.5676 -19.5676 -6.3187 -6.3187 -6.3116 -6.3116 -4.4377 -4.4377 -4.4133 -4.4133 -4.2980 -4.2980 -4.2961 -4.2961 -0.4788 -0.4788 -0.4366 -0.4366 4.1122 4.1122 4.2050 4.2050 5.1767 5.1767 5.1835 5.1835 5.3773 5.3773 5.4191 5.4191 5.5419 5.5419 5.6534 5.6534 5.7574 5.7574 5.7647 5.7647 5.7888 5.7888 5.8378 5.8378 6.3234 6.3234 6.3466 6.3466 7.2270 7.2270 7.2455 7.2455 9.0248 9.0248 9.0788 9.0788 10.8707 10.8707 10.9268 10.9268 11.9602 11.9602 k = 0.2319 0.4016 0.2451 ( 6152 PWs) bands (ev): -19.5681 -19.5681 -19.5681 -19.5681 -6.3165 -6.3165 -6.3098 -6.3098 -4.4350 -4.4350 -4.4123 -4.4123 -4.2942 -4.2942 -4.2929 -4.2929 -0.4932 -0.4932 -0.4533 -0.4533 4.1396 4.1396 4.2282 4.2282 5.1690 5.1690 5.1755 5.1755 5.3768 5.3768 5.4100 5.4100 5.5444 5.5444 5.6506 5.6506 5.7629 5.7629 5.7744 5.7744 5.8004 5.8004 5.8548 5.8548 6.3684 6.3684 6.3914 6.3914 7.2197 7.2197 7.2417 7.2417 9.0389 9.0389 9.0901 9.0901 10.8042 10.8042 10.8575 10.8575 11.8860 11.8860 k = 0.2246 0.3891 0.2451 ( 6162 PWs) bands (ev): -19.5687 -19.5687 -19.5687 -19.5687 -6.3142 -6.3142 -6.3079 -6.3079 -4.4320 -4.4320 -4.4110 -4.4110 -4.2904 -4.2904 -4.2897 -4.2897 -0.5084 -0.5084 -0.4709 -0.4709 4.1687 4.1687 4.2529 4.2529 5.1613 5.1613 5.1681 5.1681 5.3763 5.3763 5.4015 5.4015 5.5472 5.5472 5.6477 5.6477 5.7674 5.7674 5.7767 5.7767 5.8221 5.8221 5.8752 5.8752 6.4126 6.4126 6.4342 6.4342 7.2131 7.2131 7.2395 7.2395 9.0564 9.0564 9.1048 9.1048 10.7400 10.7400 10.7906 10.7906 11.8096 11.8096 k = 0.2174 0.3765 0.2451 ( 6158 PWs) bands (ev): -19.5694 -19.5694 -19.5694 -19.5694 -6.3117 -6.3117 -6.3058 -6.3058 -4.4289 -4.4289 -4.4095 -4.4095 -4.2864 -4.2864 -4.2863 -4.2863 -0.5244 -0.5244 -0.4893 -0.4893 4.1993 4.1993 4.2791 4.2791 5.1536 5.1536 5.1610 5.1610 5.3760 5.3760 5.3937 5.3937 5.5505 5.5505 5.6449 5.6449 5.7710 5.7710 5.7768 5.7768 5.8490 5.8490 5.8992 5.8992 6.4553 6.4553 6.4742 6.4742 7.2079 7.2079 7.2395 7.2395 9.0774 9.0774 9.1233 9.1233 10.6780 10.6780 10.7262 10.7262 11.7323 11.7323 k = 0.2101 0.3640 0.2451 ( 6158 PWs) bands (ev): -19.5701 -19.5701 -19.5701 -19.5701 -6.3091 -6.3091 -6.3035 -6.3035 -4.4256 -4.4256 -4.4078 -4.4078 -4.2827 -4.2827 -4.2824 -4.2824 -0.5412 -0.5412 -0.5085 -0.5085 4.2312 4.2312 4.3065 4.3065 5.1455 5.1455 5.1542 5.1542 5.3758 5.3758 5.3867 5.3867 5.5543 5.5543 5.6421 5.6421 5.7737 5.7737 5.7763 5.7763 5.8798 5.8798 5.9267 5.9267 6.4953 6.4953 6.5103 6.5103 7.2049 7.2049 7.2426 7.2426 9.1023 9.1023 9.1456 9.1456 10.6184 10.6184 10.6644 10.6644 11.6549 11.6549 k = 0.2029 0.3514 0.2451 ( 6162 PWs) bands (ev): -19.5708 -19.5708 -19.5708 -19.5708 -6.3063 -6.3063 -6.3012 -6.3012 -4.4221 -4.4221 -4.4060 -4.4060 -4.2789 -4.2789 -4.2782 -4.2782 -0.5586 -0.5586 -0.5283 -0.5283 4.2641 4.2641 4.3349 4.3349 5.1372 5.1372 5.1473 5.1473 5.3756 5.3756 5.3806 5.3806 5.5586 5.5586 5.6394 5.6394 5.7755 5.7755 5.7758 5.7758 5.9143 5.9143 5.9579 5.9579 6.5317 6.5317 6.5418 6.5418 7.2051 7.2051 7.2497 7.2497 9.1311 9.1311 9.1719 9.1719 10.5614 10.5614 10.6051 10.6051 11.5782 11.5782 k = 0.1957 0.3389 0.2451 ( 6162 PWs) bands (ev): -19.5715 -19.5715 -19.5715 -19.5715 -6.3035 -6.3035 -6.2987 -6.2987 -4.4186 -4.4186 -4.4040 -4.4040 -4.2749 -4.2749 -4.2738 -4.2738 -0.5766 -0.5766 -0.5486 -0.5486 4.2978 4.2978 4.3642 4.3642 5.1285 5.1285 5.1404 5.1404 5.3753 5.3753 5.3753 5.3753 5.5633 5.5633 5.6368 5.6368 5.7745 5.7745 5.7772 5.7772 5.9528 5.9528 5.9929 5.9929 6.5633 6.5633 6.5676 6.5676 7.2096 7.2096 7.2617 7.2617 9.1638 9.1638 9.2023 9.2023 10.5069 10.5069 10.5486 10.5486 11.5024 11.5024 k = 0.1884 0.3263 0.2451 ( 6162 PWs) bands (ev): -19.5723 -19.5723 -19.5723 -19.5723 -6.3006 -6.3006 -6.2962 -6.2962 -4.4151 -4.4151 -4.4020 -4.4020 -4.2706 -4.2706 -4.2692 -4.2692 -0.5951 -0.5951 -0.5694 -0.5694 4.3320 4.3320 4.3940 4.3940 5.1194 5.1194 5.1331 5.1331 5.3710 5.3710 5.3750 5.3750 5.5684 5.5684 5.6345 5.6345 5.7733 5.7733 5.7780 5.7780 5.9955 5.9955 6.0317 6.0317 6.5874 6.5874 6.5890 6.5890 7.2196 7.2196 7.2792 7.2792 9.2006 9.2006 9.2369 9.2369 10.4552 10.4552 10.4950 10.4950 11.4280 11.4280 k = 0.1812 0.3138 0.2451 ( 6174 PWs) bands (ev): -19.5731 -19.5731 -19.5731 -19.5731 -6.2976 -6.2976 -6.2935 -6.2935 -4.4117 -4.4117 -4.4000 -4.4000 -4.2660 -4.2660 -4.2643 -4.2643 -0.6139 -0.6139 -0.5905 -0.5905 4.3665 4.3665 4.4242 4.4242 5.1099 5.1099 5.1255 5.1255 5.3675 5.3675 5.3744 5.3744 5.5738 5.5738 5.6323 5.6323 5.7720 5.7720 5.7784 5.7784 6.0423 6.0423 6.0744 6.0744 6.6008 6.6008 6.6080 6.6080 7.2360 7.2360 7.3025 7.3025 9.2413 9.2413 9.2757 9.2757 10.4063 10.4063 10.4443 10.4443 11.3553 11.3553 k = 0.1739 0.3012 0.2451 ( 6170 PWs) bands (ev): -19.5739 -19.5739 -19.5739 -19.5739 -6.2945 -6.2945 -6.2908 -6.2908 -4.4084 -4.4084 -4.3980 -4.3980 -4.2610 -4.2610 -4.2592 -4.2592 -0.6331 -0.6331 -0.6119 -0.6119 4.4011 4.4011 4.4547 4.4547 5.1001 5.1001 5.1174 5.1174 5.3649 5.3649 5.3737 5.3737 5.5792 5.5792 5.6303 5.6303 5.7705 5.7705 5.7783 5.7783 6.0934 6.0934 6.1210 6.1210 6.6082 6.6082 6.6203 6.6203 7.2590 7.2590 7.3317 7.3317 9.2860 9.2860 9.3186 9.3186 10.3604 10.3604 10.3966 10.3966 11.2843 11.2843 k = 0.1667 0.2887 0.2451 ( 6178 PWs) bands (ev): -19.5747 -19.5747 -19.5747 -19.5747 -6.2914 -6.2914 -6.2881 -6.2881 -4.4052 -4.4052 -4.3962 -4.3962 -4.2556 -4.2556 -4.2537 -4.2537 -0.6525 -0.6525 -0.6333 -0.6333 4.4356 4.4356 4.4852 4.4852 5.0900 5.0900 5.1089 5.1089 5.3630 5.3630 5.3729 5.3729 5.5846 5.5846 5.6285 5.6285 5.7688 5.7688 5.7778 5.7778 6.1484 6.1484 6.1713 6.1713 6.6104 6.6104 6.6263 6.6263 7.2888 7.2888 7.3664 7.3664 9.3344 9.3344 9.3655 9.3655 10.3175 10.3175 10.3522 10.3522 11.2153 11.2153 k = 0.1594 0.2761 0.2451 ( 6190 PWs) bands (ev): -19.5756 -19.5756 -19.5756 -19.5756 -6.2883 -6.2883 -6.2853 -6.2853 -4.4023 -4.4023 -4.3944 -4.3944 -4.2499 -4.2499 -4.2478 -4.2478 -0.6720 -0.6720 -0.6549 -0.6549 4.4698 4.4698 4.5156 4.5156 5.0797 5.0797 5.0999 5.0999 5.3617 5.3617 5.3719 5.3719 5.5898 5.5898 5.6269 5.6269 5.7669 5.7669 5.7768 5.7768 6.2067 6.2067 6.2247 6.2247 6.6089 6.6089 6.6274 6.6274 7.3247 7.3247 7.4058 7.4058 9.3865 9.3865 9.4163 9.4163 10.2780 10.2780 10.3110 10.3110 11.1483 11.1483 k = 0.1522 0.2636 0.2451 ( 6174 PWs) bands (ev): -19.5764 -19.5764 -19.5764 -19.5764 -6.2852 -6.2852 -6.2825 -6.2825 -4.3996 -4.3996 -4.3928 -4.3928 -4.2438 -4.2438 -4.2417 -4.2417 -0.6916 -0.6916 -0.6763 -0.6763 4.5035 4.5035 4.5457 4.5457 5.0693 5.0693 5.0905 5.0905 5.3609 5.3609 5.3708 5.3708 5.5948 5.5948 5.6255 5.6255 5.7650 5.7650 5.7755 5.7755 6.2672 6.2672 6.2800 6.2800 6.6058 6.6058 6.6256 6.6256 7.3659 7.3659 7.4491 7.4491 9.4419 9.4419 9.4706 9.4706 10.2418 10.2418 10.2735 10.2735 11.0832 11.0832 k = 0.1449 0.2510 0.2451 ( 6170 PWs) bands (ev): -19.5773 -19.5773 -19.5773 -19.5773 -6.2821 -6.2821 -6.2798 -6.2798 -4.3971 -4.3971 -4.3913 -4.3913 -4.2373 -4.2373 -4.2352 -4.2352 -0.7111 -0.7111 -0.6976 -0.6976 4.5366 4.5366 4.5755 4.5755 5.0588 5.0588 5.0807 5.0807 5.3604 5.3604 5.3695 5.3695 5.5994 5.5994 5.6243 5.6243 5.7628 5.7628 5.7738 5.7738 6.3270 6.3270 6.3345 6.3345 6.6047 6.6047 6.6246 6.6246 7.4114 7.4114 7.4957 7.4957 9.5003 9.5003 9.5280 9.5280 10.2093 10.2093 10.2396 10.2396 11.0203 11.0203 k = 0.1377 0.2385 0.2451 ( 6178 PWs) bands (ev): -19.5781 -19.5781 -19.5781 -19.5781 -6.2791 -6.2791 -6.2770 -6.2770 -4.3950 -4.3950 -4.3901 -4.3901 -4.2305 -4.2305 -4.2284 -4.2284 -0.7304 -0.7304 -0.7186 -0.7186 4.5689 4.5689 4.6048 4.6048 5.0483 5.0483 5.0706 5.0706 5.3601 5.3601 5.3682 5.3682 5.6035 5.6035 5.6231 5.6231 5.7605 5.7605 5.7717 5.7717 6.3808 6.3808 6.3824 6.3824 6.6122 6.6122 6.6309 6.6309 7.4602 7.4602 7.5447 7.5447 9.5611 9.5611 9.5883 9.5883 10.1806 10.1806 10.2097 10.2097 10.9593 10.9593 k = 0.1304 0.2259 0.2451 ( 6174 PWs) bands (ev): -19.5790 -19.5790 -19.5789 -19.5789 -6.2761 -6.2761 -6.2743 -6.2743 -4.3931 -4.3931 -4.3890 -4.3890 -4.2233 -4.2233 -4.2213 -4.2213 -0.7495 -0.7495 -0.7393 -0.7393 4.6003 4.6003 4.6334 4.6334 5.0378 5.0378 5.0604 5.0604 5.3599 5.3599 5.3668 5.3668 5.6072 5.6072 5.6221 5.6221 5.7580 5.7580 5.7693 5.7693 6.4148 6.4148 6.4191 6.4191 6.6379 6.6379 6.6546 6.6546 7.5115 7.5115 7.5954 7.5954 9.6237 9.6237 9.6505 9.6505 10.1561 10.1561 10.1841 10.1841 10.9004 10.9004 k = 0.1232 0.2134 0.2451 ( 6174 PWs) bands (ev): -19.5798 -19.5798 -19.5798 -19.5798 -6.2732 -6.2732 -6.2716 -6.2716 -4.3915 -4.3915 -4.3881 -4.3881 -4.2159 -4.2159 -4.2140 -4.2140 -0.7682 -0.7682 -0.7595 -0.7595 4.6308 4.6308 4.6614 4.6614 5.0275 5.0275 5.0501 5.0501 5.3598 5.3598 5.3655 5.3655 5.6104 5.6104 5.6213 5.6213 5.7553 5.7553 5.7665 5.7665 6.4268 6.4268 6.4354 6.4354 6.6872 6.6872 6.7028 6.7028 7.5646 7.5646 7.6472 7.6472 9.6871 9.6871 9.7138 9.7138 10.1360 10.1360 10.1631 10.1631 10.8434 10.8434 k = 0.1159 0.2008 0.2451 ( 6182 PWs) bands (ev): -19.5806 -19.5806 -19.5806 -19.5806 -6.2704 -6.2704 -6.2691 -6.2691 -4.3902 -4.3902 -4.3874 -4.3874 -4.2082 -4.2082 -4.2065 -4.2065 -0.7866 -0.7866 -0.7792 -0.7792 4.6602 4.6602 4.6884 4.6884 5.0174 5.0174 5.0397 5.0397 5.3596 5.3596 5.3640 5.3640 5.6131 5.6131 5.6205 5.6205 5.7525 5.7525 5.7633 5.7633 6.4233 6.4233 6.4337 6.4337 6.7558 6.7558 6.7720 6.7720 7.6187 7.6187 7.6995 7.6995 9.7500 9.7500 9.7769 9.7769 10.1210 10.1210 10.1473 10.1473 10.7887 10.7887 k = 0.1087 0.1883 0.2451 ( 6182 PWs) bands (ev): -19.5814 -19.5814 -19.5814 -19.5814 -6.2677 -6.2677 -6.2666 -6.2666 -4.3891 -4.3891 -4.3869 -4.3869 -4.2005 -4.2005 -4.1990 -4.1990 -0.8044 -0.8044 -0.7982 -0.7982 4.6885 4.6885 4.7146 4.7146 5.0077 5.0077 5.0295 5.0295 5.3593 5.3593 5.3626 5.3626 5.6152 5.6152 5.6199 5.6199 5.7495 5.7495 5.7598 5.7598 6.4111 6.4111 6.4218 6.4218 6.8367 6.8367 6.8548 6.8548 7.6733 7.6733 7.7517 7.7517 9.8104 9.8104 9.8377 9.8377 10.1114 10.1114 10.1374 10.1374 10.7366 10.7366 k = 0.1014 0.1757 0.2451 ( 6170 PWs) bands (ev): -19.5821 -19.5821 -19.5821 -19.5821 -6.2651 -6.2651 -6.2642 -6.2642 -4.3883 -4.3883 -4.3865 -4.3865 -4.1927 -4.1927 -4.1914 -4.1914 -0.8216 -0.8216 -0.8165 -0.8165 4.7156 4.7156 4.7397 4.7397 4.9983 4.9983 5.0194 5.0194 5.3589 5.3589 5.3612 5.3612 5.6169 5.6169 5.6193 5.6193 5.7464 5.7464 5.7560 5.7560 6.3948 6.3948 6.4048 6.4048 6.9259 6.9259 6.9461 6.9461 7.7278 7.7278 7.8034 7.8034 9.8654 9.8654 9.8933 9.8933 10.1080 10.1080 10.1340 10.1340 10.6882 10.6882 k = 0.0942 0.1632 0.2451 ( 6174 PWs) bands (ev): -19.5829 -19.5829 -19.5829 -19.5829 -6.2626 -6.2626 -6.2619 -6.2619 -4.3877 -4.3877 -4.3862 -4.3862 -4.1849 -4.1849 -4.1838 -4.1838 -0.8381 -0.8381 -0.8340 -0.8340 4.7413 4.7413 4.7637 4.7637 4.9893 4.9893 5.0096 5.0096 5.3583 5.3583 5.3599 5.3599 5.6182 5.6182 5.6188 5.6188 5.7432 5.7432 5.7520 5.7520 6.3765 6.3765 6.3854 6.3854 7.0211 7.0211 7.0432 7.0432 7.7817 7.7817 7.8540 7.8540 9.9115 9.9115 9.9398 9.9398 10.1110 10.1110 10.1376 10.1376 10.6453 10.6453 k = 0.0870 0.1506 0.2451 ( 6176 PWs) bands (ev): -19.5836 -19.5836 -19.5836 -19.5836 -6.2603 -6.2603 -6.2598 -6.2598 -4.3872 -4.3872 -4.3861 -4.3861 -4.1773 -4.1773 -4.1763 -4.1763 -0.8538 -0.8538 -0.8505 -0.8505 4.7658 4.7658 4.7864 4.7864 4.9809 4.9809 5.0001 5.0001 5.3576 5.3576 5.3585 5.3585 5.6185 5.6185 5.6190 5.6190 5.7400 5.7400 5.7478 5.7478 6.3575 6.3575 6.3652 6.3652 7.1209 7.1209 7.1448 7.1448 7.8345 7.8345 7.9031 7.9031 9.9448 9.9448 9.9736 9.9736 10.1191 10.1191 10.1462 10.1462 10.6115 10.6116 k = 0.0797 0.1381 0.2451 ( 6186 PWs) bands (ev): -19.5842 -19.5842 -19.5842 -19.5842 -6.2582 -6.2582 -6.2577 -6.2577 -4.3869 -4.3869 -4.3861 -4.3861 -4.1699 -4.1699 -4.1691 -4.1691 -0.8687 -0.8687 -0.8661 -0.8661 4.7888 4.7888 4.8077 4.8077 4.9730 4.9730 4.9911 4.9911 5.3568 5.3568 5.3572 5.3572 5.6181 5.6181 5.6194 5.6194 5.7366 5.7366 5.7434 5.7434 6.3386 6.3386 6.3450 6.3450 7.2244 7.2244 7.2495 7.2495 7.8858 7.8858 7.9502 7.9502 9.9625 9.9625 9.9924 9.9924 10.1287 10.1287 10.1543 10.1543 10.5914 10.5914 k = 0.0725 0.1255 0.2451 ( 6190 PWs) bands (ev): -19.5848 -19.5848 -19.5848 -19.5848 -6.2562 -6.2562 -6.2559 -6.2559 -4.3867 -4.3867 -4.3861 -4.3861 -4.1627 -4.1627 -4.1621 -4.1621 -0.8826 -0.8826 -0.8806 -0.8806 4.8103 4.8103 4.8274 4.8274 4.9658 4.9658 4.9826 4.9826 5.3558 5.3558 5.3559 5.3559 5.6179 5.6179 5.6196 5.6196 5.7333 5.7333 5.7390 5.7390 6.3203 6.3203 6.3254 6.3254 7.3306 7.3306 7.3566 7.3566 7.9351 7.9351 7.9948 7.9948 9.9613 9.9613 9.9930 9.9930 10.1374 10.1374 10.1580 10.1580 10.5865 10.5874 k = 0.0652 0.1130 0.2451 ( 6198 PWs) bands (ev): -19.5854 -19.5854 -19.5854 -19.5854 -6.2544 -6.2544 -6.2542 -6.2542 -4.3866 -4.3866 -4.3862 -4.3862 -4.1560 -4.1560 -4.1555 -4.1555 -0.8954 -0.8954 -0.8940 -0.8940 4.8301 4.8301 4.8454 4.8454 4.9594 4.9594 4.9746 4.9746 5.3547 5.3547 5.3548 5.3548 5.6177 5.6177 5.6195 5.6195 5.7300 5.7300 5.7346 5.7346 6.3030 6.3030 6.3069 6.3069 7.4387 7.4387 7.4650 7.4650 7.9820 7.9820 8.0367 8.0367 9.9373 9.9373 9.9691 9.9691 10.1483 10.1483 10.1622 10.1622 10.5994 10.5995 k = 0.0580 0.1004 0.2451 ( 6198 PWs) bands (ev): -19.5859 -19.5859 -19.5859 -19.5859 -6.2528 -6.2528 -6.2526 -6.2526 -4.3866 -4.3866 -4.3863 -4.3863 -4.1497 -4.1497 -4.1494 -4.1494 -0.9072 -0.9072 -0.9061 -0.9061 4.8481 4.8481 4.8616 4.8616 4.9539 4.9539 4.9674 4.9674 5.3535 5.3535 5.3537 5.3537 5.6176 5.6176 5.6193 5.6193 5.7267 5.7267 5.7304 5.7304 6.2869 6.2869 6.2898 6.2898 7.5476 7.5476 7.5735 7.5735 8.0263 8.0263 8.0755 8.0755 9.8898 9.8898 9.9181 9.9181 10.1660 10.1660 10.1751 10.1751 10.6245 10.6253 k = 0.0507 0.0879 0.2451 ( 6202 PWs) bands (ev): -19.5864 -19.5864 -19.5864 -19.5864 -6.2514 -6.2514 -6.2512 -6.2512 -4.3866 -4.3866 -4.3864 -4.3864 -4.1440 -4.1440 -4.1437 -4.1437 -0.9177 -0.9177 -0.9170 -0.9170 4.8642 4.8642 4.8758 4.8758 4.9495 4.9495 4.9610 4.9610 5.3524 5.3524 5.3526 5.3526 5.6175 5.6175 5.6189 5.6189 5.7236 5.7236 5.7263 5.7263 6.2724 6.2724 6.2744 6.2744 7.6558 7.6558 7.6807 7.6807 8.0678 8.0678 8.1110 8.1110 9.8235 9.8235 9.8462 9.8462 10.1917 10.1917 10.1979 10.1979 10.6522 10.6524 k = 0.0435 0.0753 0.2451 ( 6206 PWs) bands (ev): -19.5868 -19.5868 -19.5868 -19.5868 -6.2501 -6.2501 -6.2500 -6.2500 -4.3867 -4.3867 -4.3866 -4.3866 -4.1388 -4.1388 -4.1387 -4.1387 -0.9270 -0.9270 -0.9266 -0.9266 4.8783 4.8783 4.8875 4.8875 4.9463 4.9463 4.9556 4.9556 5.3514 5.3514 5.3516 5.3516 5.6174 5.6174 5.6185 5.6185 5.7207 5.7207 5.7226 5.7226 6.2594 6.2594 6.2607 6.2607 7.7615 7.7615 7.7845 7.7845 8.1068 8.1068 8.1434 8.1434 9.7452 9.7452 9.7619 9.7619 10.2244 10.2244 10.2287 10.2287 10.6756 10.6757 k = 0.0362 0.0628 0.2451 ( 6206 PWs) bands (ev): -19.5871 -19.5871 -19.5871 -19.5871 -6.2490 -6.2490 -6.2490 -6.2490 -4.3868 -4.3868 -4.3867 -4.3867 -4.1344 -4.1344 -4.1343 -4.1343 -0.9350 -0.9350 -0.9347 -0.9347 4.8899 4.8899 4.8967 4.8967 4.9446 4.9446 4.9514 4.9514 5.3505 5.3505 5.3506 5.3506 5.6173 5.6173 5.6180 5.6180 5.7181 5.7181 5.7193 5.7193 6.2482 6.2482 6.2490 6.2490 7.8618 7.8618 7.8816 7.8816 8.1439 8.1439 8.1731 8.1731 9.6612 9.6612 9.6724 9.6724 10.2625 10.2625 10.2654 10.2654 10.6920 10.6922 k = 0.0290 0.0502 0.2451 ( 6190 PWs) bands (ev): -19.5874 -19.5874 -19.5874 -19.5874 -6.2482 -6.2482 -6.2482 -6.2482 -4.3869 -4.3869 -4.3868 -4.3868 -4.1307 -4.1307 -4.1306 -4.1306 -0.9416 -0.9416 -0.9415 -0.9415 4.8989 4.8989 4.9032 4.9032 4.9443 4.9443 4.9486 4.9486 5.3497 5.3497 5.3497 5.3497 5.6173 5.6173 5.6177 5.6177 5.7158 5.7158 5.7165 5.7165 6.2390 6.2390 6.2394 6.2394 7.9525 7.9525 7.9676 7.9676 8.1803 8.1803 8.2013 8.2013 9.5772 9.5772 9.5839 9.5839 10.3043 10.3043 10.3061 10.3061 10.7012 10.7016 k = 0.0217 0.0377 0.2451 ( 6178 PWs) bands (ev): -19.5876 -19.5876 -19.5876 -19.5876 -6.2475 -6.2475 -6.2475 -6.2475 -4.3870 -4.3870 -4.3869 -4.3869 -4.1278 -4.1278 -4.1277 -4.1277 -0.9468 -0.9468 -0.9467 -0.9467 4.9052 4.9052 4.9072 4.9072 4.9452 4.9452 4.9473 4.9473 5.3490 5.3490 5.3490 5.3490 5.6172 5.6172 5.6174 5.6174 5.7140 5.7140 5.7142 5.7142 6.2317 6.2317 6.2318 6.2318 8.0275 8.0275 8.0365 8.0365 8.2176 8.2176 8.2295 8.2295 9.4994 9.4994 9.5027 9.5027 10.3474 10.3474 10.3483 10.3483 10.7046 10.7047 k = 0.0145 0.0251 0.2451 ( 6174 PWs) bands (ev): -19.5878 -19.5878 -19.5878 -19.5878 -6.2470 -6.2470 -6.2470 -6.2470 -4.3870 -4.3870 -4.3870 -4.3870 -4.1256 -4.1256 -4.1256 -4.1256 -0.9505 -0.9505 -0.9505 -0.9505 4.9088 4.9088 4.9095 4.9095 4.9466 4.9466 4.9472 4.9472 5.3485 5.3485 5.3485 5.3485 5.6172 5.6172 5.6172 5.6172 5.7125 5.7125 5.7126 5.7126 6.2264 6.2264 6.2264 6.2264 8.0807 8.0807 8.0840 8.0840 8.2540 8.2540 8.2584 8.2584 9.4348 9.4348 9.4359 9.4359 10.3877 10.3877 10.3881 10.3881 10.7050 10.7053 k = 0.0072 0.0126 0.2451 ( 6170 PWs) bands (ev): -19.5879 -19.5879 -19.5879 -19.5879 -6.2467 -6.2467 -6.2467 -6.2467 -4.3871 -4.3871 -4.3871 -4.3871 -4.1243 -4.1243 -4.1243 -4.1243 -0.9528 -0.9528 -0.9528 -0.9528 4.9105 4.9105 4.9106 4.9106 4.9476 4.9476 4.9477 4.9477 5.3482 5.3482 5.3482 5.3482 5.6171 5.6171 5.6171 5.6171 5.7117 5.7117 5.7117 5.7117 6.2232 6.2232 6.2232 6.2232 8.1101 8.1101 8.1105 8.1105 8.2821 8.2821 8.2827 8.2827 9.3913 9.3913 9.3914 9.3914 10.4185 10.4185 10.4186 10.4186 10.7043 10.7044 k = 0.0000 0.0000 0.2451 ( 6158 PWs) bands (ev): -19.5879 -19.5879 -19.5879 -19.5879 -6.2466 -6.2466 -6.2466 -6.2466 -4.3871 -4.3871 -4.3871 -4.3871 -4.1239 -4.1239 -4.1239 -4.1239 -0.9535 -0.9535 -0.9535 -0.9535 4.9110 4.9110 4.9110 4.9110 4.9480 4.9480 4.9480 4.9480 5.3481 5.3481 5.3481 5.3481 5.6171 5.6171 5.6171 5.6171 5.7114 5.7114 5.7114 5.7114 6.2221 6.2221 6.2221 6.2221 8.1191 8.1191 8.1191 8.1191 8.2926 8.2926 8.2926 8.2926 9.3757 9.3757 9.3757 9.3757 10.4305 10.4305 10.4305 10.4305 10.7038 10.7038 k = 0.5000 0.2887 0.2451 ( 6172 PWs) bands (ev): -19.5668 -19.5668 -19.5668 -19.5668 -6.3211 -6.3211 -6.3211 -6.3211 -4.4655 -4.4655 -4.4655 -4.4655 -4.2530 -4.2530 -4.2530 -4.2530 -0.4422 -0.4422 -0.4422 -0.4422 3.9625 3.9625 3.9625 3.9625 5.2924 5.2924 5.2924 5.2924 5.3506 5.3506 5.3506 5.3506 5.5977 5.5977 5.5977 5.5977 5.7245 5.7245 5.7245 5.7245 5.7768 5.7768 5.7768 5.7768 6.7735 6.7735 6.7735 6.7735 7.2480 7.2480 7.2480 7.2480 8.7490 8.7490 8.7490 8.7490 10.1083 10.1083 10.1083 10.1083 12.6560 12.6560 k = 0.5000 0.2887 0.2307 ( 6182 PWs) bands (ev): -19.5672 -19.5672 -19.5664 -19.5664 -6.3219 -6.3219 -6.3203 -6.3203 -4.4680 -4.4680 -4.4633 -4.4633 -4.2567 -4.2567 -4.2489 -4.2489 -0.4646 -0.4646 -0.4198 -0.4198 3.9239 3.9239 4.0016 4.0016 5.2807 5.2807 5.3028 5.3028 5.3496 5.3496 5.3526 5.3526 5.5932 5.5932 5.6022 5.6022 5.7199 5.7199 5.7287 5.7287 5.7732 5.7732 5.7808 5.7808 6.7414 6.7414 6.8062 6.8062 7.2191 7.2191 7.2767 7.2767 8.7366 8.7366 8.7554 8.7554 10.1084 10.1084 10.1215 10.1215 12.5628 12.5628 k = 0.5000 0.2887 0.2163 ( 6186 PWs) bands (ev): -19.5676 -19.5676 -19.5660 -19.5660 -6.3228 -6.3228 -6.3196 -6.3196 -4.4706 -4.4706 -4.4612 -4.4612 -4.2602 -4.2602 -4.2445 -4.2445 -0.4867 -0.4867 -0.3975 -0.3975 3.8862 3.8862 4.0409 4.0409 5.2681 5.2681 5.3113 5.3113 5.3494 5.3494 5.3559 5.3559 5.5886 5.5886 5.6068 5.6068 5.7152 5.7152 5.7326 5.7326 5.7701 5.7701 5.7851 5.7851 6.7099 6.7099 6.8390 6.8390 7.1900 7.1900 7.3047 7.3047 8.7190 8.7190 8.7561 8.7561 10.1217 10.1217 10.1478 10.1478 12.4721 12.4721 k = 0.5000 0.2887 0.2019 ( 6164 PWs) bands (ev): -19.5680 -19.5680 -19.5656 -19.5656 -6.3236 -6.3236 -6.3188 -6.3188 -4.4734 -4.4734 -4.4594 -4.4594 -4.2632 -4.2632 -4.2399 -4.2399 -0.5083 -0.5083 -0.3754 -0.3754 3.8495 3.8495 4.0802 4.0802 5.2550 5.2550 5.3174 5.3174 5.3498 5.3498 5.3610 5.3610 5.5842 5.5842 5.6115 5.6115 5.7104 5.7104 5.7360 5.7360 5.7677 5.7677 5.7897 5.7897 6.6794 6.6794 6.8717 6.8717 7.1611 7.1611 7.3320 7.3320 8.6969 8.6969 8.7511 8.7511 10.1472 10.1472 10.1865 10.1865 12.3845 12.3845 k = 0.5000 0.2887 0.1874 ( 6154 PWs) bands (ev): -19.5684 -19.5684 -19.5652 -19.5652 -6.3245 -6.3245 -6.3182 -6.3182 -4.4761 -4.4761 -4.4579 -4.4579 -4.2658 -4.2658 -4.2352 -4.2352 -0.5293 -0.5293 -0.3539 -0.3539 3.8142 3.8142 4.1190 4.1190 5.2417 5.2417 5.3209 5.3209 5.3507 5.3507 5.3679 5.3679 5.5799 5.5799 5.6160 5.6160 5.7055 5.7055 5.7386 5.7386 5.7661 5.7661 5.7944 5.7944 6.6500 6.6500 6.9038 6.9038 7.1327 7.1327 7.3584 7.3584 8.6714 8.6714 8.7415 8.7415 10.1839 10.1839 10.2367 10.2367 12.3006 12.3006 k = 0.5000 0.2887 0.1730 ( 6154 PWs) bands (ev): -19.5687 -19.5687 -19.5648 -19.5648 -6.3253 -6.3253 -6.3175 -6.3175 -4.4790 -4.4790 -4.4567 -4.4567 -4.2680 -4.2680 -4.2305 -4.2305 -0.5495 -0.5495 -0.3330 -0.3330 3.7805 3.7805 4.1572 4.1572 5.2282 5.2282 5.3224 5.3224 5.3517 5.3517 5.3760 5.3760 5.5756 5.5756 5.6204 5.6204 5.7007 5.7007 5.7402 5.7402 5.7655 5.7655 5.7993 5.7993 6.6220 6.6220 6.9350 6.9350 7.1052 7.1052 7.3836 7.3836 8.6435 8.6435 8.7280 8.7280 10.2301 10.2301 10.2975 10.2975 12.2207 12.2207 k = 0.5000 0.2887 0.1586 ( 6160 PWs) bands (ev): -19.5691 -19.5691 -19.5645 -19.5645 -6.3261 -6.3261 -6.3169 -6.3169 -4.4817 -4.4817 -4.4557 -4.4557 -4.2699 -4.2699 -4.2258 -4.2258 -0.5688 -0.5688 -0.3130 -0.3130 3.7486 3.7486 4.1942 4.1942 5.2147 5.2147 5.3228 5.3228 5.3528 5.3528 5.3848 5.3848 5.5715 5.5715 5.6248 5.6248 5.6958 5.6958 5.7408 5.7408 5.7659 5.7659 5.8042 5.8042 6.5955 6.5955 6.9645 6.9645 7.0794 7.0794 7.4076 7.4076 8.6144 8.6144 8.7118 8.7118 10.2841 10.2841 10.3679 10.3679 12.1452 12.1452 k = 0.5000 0.2887 0.1442 ( 6168 PWs) bands (ev): -19.5694 -19.5694 -19.5642 -19.5642 -6.3269 -6.3269 -6.3164 -6.3164 -4.4844 -4.4844 -4.4549 -4.4549 -4.2713 -4.2713 -4.2211 -4.2211 -0.5870 -0.5870 -0.2941 -0.2941 3.7187 3.7187 4.2298 4.2298 5.2015 5.2015 5.3225 5.3225 5.3540 5.3540 5.3937 5.3937 5.5675 5.5675 5.6289 5.6289 5.6911 5.6911 5.7404 5.7404 5.7674 5.7674 5.8091 5.8091 6.5707 6.5707 6.9901 6.9901 7.0572 7.0572 7.4301 7.4301 8.5850 8.5850 8.6940 8.6940 10.3440 10.3440 10.4469 10.4469 12.0744 12.0744 k = 0.5000 0.2887 0.1298 ( 6160 PWs) bands (ev): -19.5697 -19.5697 -19.5638 -19.5638 -6.3277 -6.3277 -6.3159 -6.3159 -4.4870 -4.4870 -4.4544 -4.4544 -4.2724 -4.2724 -4.2166 -4.2166 -0.6039 -0.6039 -0.2763 -0.2763 3.6911 3.6911 4.2636 4.2636 5.1888 5.1888 5.3218 5.3218 5.3550 5.3550 5.4023 5.4023 5.5638 5.5638 5.6329 5.6329 5.6866 5.6866 5.7396 5.7396 5.7694 5.7694 5.8140 5.8140 6.5478 6.5478 7.0025 7.0025 7.0480 7.0480 7.4510 7.4510 8.5562 8.5562 8.6754 8.6754 10.4080 10.4080 10.5336 10.5336 12.0089 12.0089 k = 0.5000 0.2887 0.1153 ( 6160 PWs) bands (ev): -19.5700 -19.5700 -19.5636 -19.5636 -6.3284 -6.3284 -6.3155 -6.3155 -4.4895 -4.4895 -4.4541 -4.4541 -4.2732 -4.2732 -4.2124 -4.2124 -0.6193 -0.6193 -0.2600 -0.2600 3.6659 3.6659 4.2952 4.2952 5.1766 5.1766 5.3209 5.3209 5.3560 5.3560 5.4106 5.4106 5.5603 5.5603 5.6367 5.6367 5.6823 5.6823 5.7384 5.7384 5.7716 5.7716 5.8187 5.8187 6.5269 6.5269 6.9917 6.9917 7.0618 7.0618 7.4701 7.4701 8.5286 8.5286 8.6569 8.6569 10.4739 10.4739 10.6272 10.6272 11.9490 11.9490 k = 0.5000 0.2887 0.1009 ( 6164 PWs) bands (ev): -19.5703 -19.5703 -19.5633 -19.5633 -6.3290 -6.3290 -6.3151 -6.3151 -4.4917 -4.4917 -4.4539 -4.4539 -4.2738 -4.2738 -4.2085 -4.2085 -0.6333 -0.6333 -0.2451 -0.2451 3.6432 3.6432 4.3243 4.3243 5.1652 5.1652 5.3200 5.3200 5.3569 5.3569 5.4182 5.4182 5.5570 5.5570 5.6403 5.6403 5.6783 5.6783 5.7371 5.7371 5.7738 5.7738 5.8232 5.8232 6.5081 6.5081 6.9736 6.9736 7.0825 7.0825 7.4874 7.4874 8.5031 8.5031 8.6392 8.6392 10.5400 10.5400 10.7266 10.7266 11.8949 11.8949 k = 0.5000 0.2887 0.0865 ( 6162 PWs) bands (ev): -19.5705 -19.5705 -19.5631 -19.5631 -6.3296 -6.3296 -6.3148 -6.3148 -4.4937 -4.4937 -4.4538 -4.4538 -4.2741 -4.2741 -4.2050 -4.2050 -0.6457 -0.6457 -0.2319 -0.2319 3.6233 3.6233 4.3505 4.3505 5.1547 5.1547 5.3191 5.3191 5.3577 5.3577 5.4252 5.4252 5.5540 5.5540 5.6435 5.6435 5.6746 5.6746 5.7358 5.7358 5.7760 5.7760 5.8274 5.8274 6.4916 6.4916 6.9558 6.9558 7.1026 7.1026 7.5027 7.5027 8.4800 8.4800 8.6229 8.6229 10.6040 10.6040 10.8310 10.8310 11.8472 11.8472 k = 0.5000 0.2887 0.0721 ( 6152 PWs) bands (ev): -19.5707 -19.5707 -19.5629 -19.5629 -6.3301 -6.3301 -6.3145 -6.3145 -4.4954 -4.4954 -4.4538 -4.4538 -4.2743 -4.2743 -4.2019 -4.2019 -0.6563 -0.6563 -0.2206 -0.2206 3.6062 3.6062 4.3734 4.3734 5.1455 5.1455 5.3183 5.3183 5.3584 5.3584 5.4313 5.4313 5.5514 5.5514 5.6465 5.6465 5.6712 5.6712 5.7347 5.7347 5.7779 5.7779 5.8311 5.8311 6.4774 6.4774 6.9397 6.9397 7.1207 7.1207 7.5159 7.5159 8.4597 8.4597 8.6084 8.6084 10.6639 10.6639 10.9394 10.9394 11.8062 11.8062 k = 0.5000 0.2887 0.0577 ( 6146 PWs) bands (ev): -19.5708 -19.5708 -19.5627 -19.5627 -6.3306 -6.3306 -6.3143 -6.3143 -4.4969 -4.4969 -4.4539 -4.4539 -4.2744 -4.2744 -4.1992 -4.1992 -0.6651 -0.6651 -0.2111 -0.2111 3.5921 3.5921 4.3927 4.3927 5.1375 5.1375 5.3175 5.3175 5.3589 5.3589 5.4366 5.4366 5.5491 5.5491 5.6491 5.6491 5.6683 5.6683 5.7336 5.7336 5.7796 5.7796 5.8344 5.8344 6.4656 6.4656 6.9261 6.9261 7.1359 7.1359 7.5269 7.5269 8.4427 8.4427 8.5961 8.5961 10.7173 10.7173 11.0501 11.0501 11.7720 11.7720 k = 0.5000 0.2887 0.0433 ( 6160 PWs) bands (ev): -19.5710 -19.5710 -19.5626 -19.5626 -6.3309 -6.3309 -6.3141 -6.3141 -4.4980 -4.4980 -4.4540 -4.4540 -4.2745 -4.2745 -4.1972 -4.1972 -0.6720 -0.6720 -0.2036 -0.2036 3.5810 3.5810 4.4080 4.4080 5.1311 5.1311 5.3169 5.3169 5.3594 5.3594 5.4407 5.4407 5.5473 5.5473 5.6513 5.6513 5.6658 5.6658 5.7328 5.7328 5.7809 5.7809 5.8370 5.8370 6.4564 6.4564 6.9151 6.9151 7.1481 7.1481 7.5355 7.5355 8.4292 8.4292 8.5862 8.5862 10.7620 10.7620 11.1611 11.1611 11.7450 11.7450 k = 0.5000 0.2887 0.0288 ( 6164 PWs) bands (ev): -19.5711 -19.5711 -19.5625 -19.5625 -6.3311 -6.3311 -6.3140 -6.3140 -4.4989 -4.4989 -4.4541 -4.4541 -4.2745 -4.2745 -4.1957 -4.1957 -0.6770 -0.6770 -0.1983 -0.1983 3.5730 3.5730 4.4192 4.4192 5.1264 5.1264 5.3164 5.3164 5.3597 5.3597 5.4438 5.4438 5.5459 5.5459 5.6531 5.6531 5.6637 5.6637 5.7321 5.7321 5.7819 5.7819 5.8389 5.8389 6.4498 6.4498 6.9072 6.9072 7.1570 7.1570 7.5418 7.5418 8.4194 8.4194 8.5791 8.5791 10.7958 10.7958 11.2673 11.2673 11.7250 11.7250 k = 0.5000 0.2887 0.0144 ( 6172 PWs) bands (ev): -19.5711 -19.5711 -19.5624 -19.5624 -6.3313 -6.3313 -6.3139 -6.3139 -4.4994 -4.4994 -4.4541 -4.4541 -4.2745 -4.2745 -4.1947 -4.1947 -0.6800 -0.6800 -0.1950 -0.1950 3.5682 3.5682 4.4260 4.4260 5.1235 5.1235 5.3161 5.3161 5.3599 5.3599 5.4457 5.4457 5.5451 5.5451 5.6544 5.6544 5.6622 5.6622 5.7318 5.7318 5.7825 5.7825 5.8401 5.8401 6.4458 6.4458 6.9023 6.9023 7.1623 7.1623 7.5456 7.5456 8.4135 8.4135 8.5747 8.5747 10.8169 10.8169 11.3564 11.3564 11.7117 11.7117 k = 0.5000 0.2887-0.0000 ( 6182 PWs) bands (ev): -19.5711 -19.5711 -19.5624 -19.5624 -6.3313 -6.3313 -6.3139 -6.3139 -4.4996 -4.4996 -4.4541 -4.4541 -4.2745 -4.2745 -4.1944 -4.1944 -0.6811 -0.6811 -0.1939 -0.1939 3.5666 3.5666 4.4283 4.4283 5.1224 5.1224 5.3160 5.3160 5.3599 5.3599 5.4463 5.4463 5.5448 5.5448 5.6549 5.6549 5.6617 5.6617 5.7316 5.7316 5.7826 5.7826 5.8404 5.8404 6.4444 6.4444 6.9007 6.9007 7.1641 7.1641 7.5468 7.5468 8.4115 8.4115 8.5733 8.5733 10.8241 10.8241 11.3961 11.3961 11.7055 11.7055 k = 0.3333 0.5774-0.0000 ( 6162 PWs) bands (ev): -19.5684 -19.5684 -19.5598 -19.5598 -6.3331 -6.3331 -6.3223 -6.3223 -4.4843 -4.4843 -4.3925 -4.3925 -4.3675 -4.3675 -4.2579 -4.2579 -0.3929 -0.3929 -0.3379 -0.3379 3.9727 3.9727 4.0901 4.0901 5.0371 5.0371 5.2754 5.2754 5.3215 5.3215 5.4702 5.4702 5.5119 5.5119 5.6094 5.6094 5.6492 5.6492 5.7357 5.7357 5.7857 5.7857 5.8357 5.8357 5.9534 5.9534 6.3050 6.3050 7.2396 7.2396 7.2669 7.2669 9.3002 9.3002 9.3547 9.3547 10.6707 10.6707 10.7966 10.7966 11.5360 11.5360 k = 0.3333 0.5774 0.0144 ( 6159 PWs) bands (ev): -19.5684 -19.5684 -19.5599 -19.5599 -6.3331 -6.3331 -6.3223 -6.3223 -4.4841 -4.4841 -4.3922 -4.3922 -4.3677 -4.3677 -4.2582 -4.2582 -0.3928 -0.3928 -0.3378 -0.3378 3.9725 3.9725 4.0900 4.0900 5.0390 5.0390 5.2755 5.2755 5.3215 5.3215 5.4702 5.4702 5.5119 5.5119 5.6094 5.6094 5.6492 5.6492 5.7357 5.7357 5.7857 5.7857 5.8356 5.8356 5.9533 5.9533 6.3024 6.3024 7.2400 7.2400 7.2670 7.2670 9.2971 9.2971 9.3517 9.3517 10.6770 10.6770 10.8029 10.8029 11.5379 11.5379 k = 0.3333 0.5774 0.0288 ( 6159 PWs) bands (ev): -19.5683 -19.5683 -19.5599 -19.5599 -6.3331 -6.3331 -6.3223 -6.3223 -4.4834 -4.4834 -4.3915 -4.3915 -4.3684 -4.3684 -4.2592 -4.2592 -0.3927 -0.3927 -0.3376 -0.3376 3.9719 3.9719 4.0897 4.0897 5.0447 5.0447 5.2760 5.2760 5.3216 5.3216 5.4702 5.4702 5.5120 5.5120 5.6095 5.6095 5.6492 5.6492 5.7356 5.7356 5.7855 5.7855 5.8354 5.8354 5.9531 5.9531 6.2945 6.2945 7.2410 7.2410 7.2676 7.2676 9.2878 9.2878 9.3429 9.3429 10.6956 10.6956 10.8217 10.8217 11.5435 11.5435 k = 0.3333 0.5774 0.0433 ( 6159 PWs) bands (ev): -19.5683 -19.5683 -19.5600 -19.5600 -6.3330 -6.3330 -6.3223 -6.3223 -4.4824 -4.4824 -4.3902 -4.3902 -4.3695 -4.3695 -4.2608 -4.2608 -0.3926 -0.3926 -0.3372 -0.3372 3.9710 3.9710 4.0892 4.0892 5.0541 5.0541 5.2767 5.2767 5.3218 5.3218 5.4703 5.4703 5.5123 5.5123 5.6096 5.6096 5.6493 5.6493 5.7355 5.7355 5.7852 5.7852 5.8350 5.8350 5.9526 5.9526 6.2815 6.2815 7.2427 7.2427 7.2685 7.2685 9.2732 9.2732 9.3289 9.3289 10.7260 10.7260 10.8523 10.8523 11.5530 11.5530 k = 0.3333 0.5774 0.0577 ( 6147 PWs) bands (ev): -19.5681 -19.5681 -19.5601 -19.5601 -6.3329 -6.3329 -6.3222 -6.3222 -4.4810 -4.4810 -4.3885 -4.3885 -4.3710 -4.3710 -4.2629 -4.2629 -0.3924 -0.3924 -0.3368 -0.3368 3.9697 3.9697 4.0885 4.0885 5.0670 5.0670 5.2777 5.2777 5.3221 5.3221 5.4704 5.4704 5.5127 5.5127 5.6098 5.6098 5.6493 5.6493 5.7354 5.7354 5.7848 5.7848 5.8345 5.8345 5.9520 5.9520 6.2637 6.2637 7.2450 7.2450 7.2698 7.2698 9.2539 9.2539 9.3108 9.3108 10.7671 10.7671 10.8938 10.8938 11.5662 11.5662 k = 0.3333 0.5774 0.0721 ( 6153 PWs) bands (ev): -19.5680 -19.5680 -19.5603 -19.5603 -6.3328 -6.3328 -6.3222 -6.3222 -4.4793 -4.4793 -4.3863 -4.3863 -4.3730 -4.3730 -4.2657 -4.2657 -0.3921 -0.3921 -0.3362 -0.3362 3.9682 3.9682 4.0876 4.0876 5.0834 5.0834 5.2789 5.2789 5.3224 5.3224 5.4706 5.4706 5.5131 5.5131 5.6101 5.6101 5.6494 5.6494 5.7352 5.7352 5.7843 5.7843 5.8337 5.8337 5.9513 5.9513 6.2414 6.2414 7.2478 7.2478 7.2713 7.2713 9.2311 9.2311 9.2894 9.2894 10.8179 10.8179 10.9451 10.9451 11.5832 11.5832 k = 0.3333 0.5774 0.0865 ( 6144 PWs) bands (ev): -19.5678 -19.5678 -19.5605 -19.5605 -6.3327 -6.3327 -6.3221 -6.3221 -4.4772 -4.4772 -4.3836 -4.3836 -4.3753 -4.3753 -4.2690 -4.2690 -0.3918 -0.3918 -0.3355 -0.3355 3.9664 3.9664 4.0867 4.0867 5.1028 5.1028 5.2803 5.2803 5.3228 5.3228 5.4708 5.4708 5.5138 5.5138 5.6106 5.6106 5.6495 5.6495 5.7351 5.7351 5.7836 5.7836 5.8328 5.8328 5.9504 5.9504 6.2150 6.2150 7.2511 7.2511 7.2730 7.2730 9.2060 9.2060 9.2660 9.2660 10.8773 10.8773 11.0052 11.0052 11.6039 11.6039 k = 0.3333 0.5774 0.1009 ( 6159 PWs) bands (ev): -19.5676 -19.5676 -19.5607 -19.5607 -6.3325 -6.3325 -6.3221 -6.3221 -4.4747 -4.4747 -4.3805 -4.3805 -4.3779 -4.3779 -4.2728 -4.2728 -0.3915 -0.3915 -0.3347 -0.3347 3.9645 3.9645 4.0856 4.0856 5.1251 5.1251 5.2818 5.2818 5.3232 5.3232 5.4711 5.4711 5.5146 5.5146 5.6112 5.6112 5.6495 5.6495 5.7348 5.7348 5.7827 5.7827 5.8316 5.8316 5.9494 5.9494 6.1851 6.1851 7.2547 7.2547 7.2749 7.2749 9.1795 9.1795 9.2415 9.2415 10.9440 10.9440 11.0729 11.0729 11.6284 11.6284 k = 0.3333 0.5774 0.1153 ( 6159 PWs) bands (ev): -19.5673 -19.5673 -19.5610 -19.5610 -6.3323 -6.3323 -6.3220 -6.3220 -4.4720 -4.4720 -4.3808 -4.3808 -4.3769 -4.3769 -4.2771 -4.2771 -0.3911 -0.3911 -0.3339 -0.3339 3.9624 3.9624 4.0845 4.0845 5.1497 5.1497 5.2834 5.2834 5.3237 5.3237 5.4715 5.4715 5.5156 5.5156 5.6121 5.6121 5.6496 5.6496 5.7346 5.7346 5.7816 5.7816 5.8302 5.8302 5.9484 5.9484 6.1523 6.1523 7.2585 7.2585 7.2770 7.2770 9.1528 9.1528 9.2169 9.2169 11.0171 11.0171 11.1472 11.1472 11.6565 11.6565 k = 0.3333 0.5774 0.1298 ( 6171 PWs) bands (ev): -19.5670 -19.5670 -19.5612 -19.5612 -6.3322 -6.3322 -6.3219 -6.3219 -4.4690 -4.4690 -4.3840 -4.3840 -4.3729 -4.3729 -4.2818 -4.2818 -0.3908 -0.3908 -0.3331 -0.3331 3.9603 3.9603 4.0834 4.0834 5.1762 5.1762 5.2850 5.2850 5.3241 5.3241 5.4720 5.4720 5.5169 5.5169 5.6133 5.6133 5.6496 5.6496 5.7345 5.7345 5.7802 5.7802 5.8283 5.8283 5.9473 5.9473 6.1174 6.1174 7.2624 7.2624 7.2790 7.2790 9.1267 9.1267 9.1930 9.1930 11.0957 11.0957 11.2272 11.2272 11.6883 11.6883 k = 0.3333 0.5774 0.1442 ( 6171 PWs) bands (ev): -19.5667 -19.5667 -19.5616 -19.5616 -6.3320 -6.3320 -6.3219 -6.3219 -4.4659 -4.4659 -4.3874 -4.3874 -4.3686 -4.3686 -4.2869 -4.2869 -0.3905 -0.3905 -0.3324 -0.3324 3.9583 3.9583 4.0824 4.0824 5.2038 5.2038 5.2866 5.2866 5.3246 5.3246 5.4727 5.4727 5.5186 5.5186 5.6151 5.6151 5.6497 5.6497 5.7343 5.7343 5.7784 5.7784 5.8261 5.8261 5.9463 5.9463 6.0813 6.0813 7.2663 7.2663 7.2811 7.2811 9.1019 9.1019 9.1706 9.1706 11.1789 11.1789 11.3120 11.3120 11.7236 11.7236 k = 0.3333 0.5774 0.1586 ( 6177 PWs) bands (ev): -19.5664 -19.5664 -19.5619 -19.5619 -6.3319 -6.3319 -6.3218 -6.3218 -4.4626 -4.4626 -4.3908 -4.3908 -4.3639 -4.3639 -4.2923 -4.2923 -0.3901 -0.3901 -0.3316 -0.3316 3.9563 3.9563 4.0813 4.0813 5.2316 5.2316 5.2882 5.2882 5.3251 5.3251 5.4735 5.4735 5.5208 5.5208 5.6178 5.6178 5.6498 5.6498 5.7341 5.7341 5.7758 5.7758 5.8233 5.8233 5.9452 5.9452 6.0454 6.0454 7.2700 7.2700 7.2830 7.2830 9.0792 9.0792 9.1501 9.1501 11.2657 11.2657 11.4008 11.4008 11.7625 11.7625 k = 0.3333 0.5774 0.1730 ( 6174 PWs) bands (ev): -19.5660 -19.5660 -19.5622 -19.5622 -6.3317 -6.3317 -6.3217 -6.3217 -4.4594 -4.4594 -4.3942 -4.3942 -4.3589 -4.3589 -4.2979 -4.2979 -0.3898 -0.3898 -0.3309 -0.3309 3.9546 3.9546 4.0804 4.0804 5.2584 5.2584 5.2896 5.2896 5.3257 5.3257 5.4746 5.4746 5.5236 5.5236 5.6216 5.6216 5.6499 5.6499 5.7339 5.7339 5.7719 5.7719 5.8200 5.8200 5.9444 5.9444 6.0110 6.0110 7.2734 7.2734 7.2848 7.2848 9.0591 9.0591 9.1320 9.1320 11.3553 11.3553 11.4930 11.4930 11.8049 11.8049 k = 0.3333 0.5774 0.1874 ( 6186 PWs) bands (ev): -19.5657 -19.5657 -19.5626 -19.5626 -6.3316 -6.3316 -6.3217 -6.3217 -4.4562 -4.4562 -4.3975 -4.3975 -4.3537 -4.3537 -4.3036 -4.3036 -0.3896 -0.3896 -0.3303 -0.3303 3.9530 3.9530 4.0796 4.0796 5.2828 5.2828 5.2907 5.2907 5.3263 5.3263 5.4757 5.4757 5.5268 5.5268 5.6270 5.6270 5.6501 5.6501 5.7338 5.7338 5.7658 5.7658 5.8160 5.8160 5.9436 5.9436 5.9801 5.9801 7.2764 7.2764 7.2864 7.2864 9.0420 9.0420 9.1167 9.1167 11.4463 11.4463 11.5877 11.5877 11.8507 11.8507 k = 0.3333 0.5774 0.2019 ( 6186 PWs) bands (ev): -19.5653 -19.5653 -19.5630 -19.5630 -6.3315 -6.3315 -6.3216 -6.3216 -4.4534 -4.4534 -4.4005 -4.4005 -4.3483 -4.3483 -4.3095 -4.3095 -0.3894 -0.3894 -0.3298 -0.3298 3.9518 3.9518 4.0789 4.0789 5.2917 5.2917 5.3030 5.3030 5.3274 5.3274 5.4769 5.4769 5.5305 5.5305 5.6344 5.6344 5.6505 5.6505 5.7337 5.7337 5.7568 5.7568 5.8120 5.8120 5.9429 5.9429 5.9546 5.9546 7.2788 7.2788 7.2876 7.2876 9.0284 9.0284 9.1046 9.1046 11.5366 11.5366 11.6839 11.6839 11.8999 11.8999 k = 0.3333 0.5774 0.2163 ( 6195 PWs) bands (ev): -19.5649 -19.5649 -19.5633 -19.5633 -6.3315 -6.3315 -6.3216 -6.3216 -4.4511 -4.4511 -4.4030 -4.4030 -4.3430 -4.3430 -4.3152 -4.3152 -0.3892 -0.3892 -0.3295 -0.3295 3.9509 3.9509 4.0784 4.0784 5.2924 5.2924 5.3165 5.3165 5.3301 5.3301 5.4779 5.4779 5.5339 5.5339 5.6429 5.6429 5.6518 5.6518 5.7336 5.7336 5.7446 5.7446 5.8086 5.8086 5.9362 5.9362 5.9424 5.9424 7.2807 7.2807 7.2886 7.2886 9.0184 9.0184 9.0957 9.0957 11.6219 11.6219 11.7796 11.7796 11.9523 11.9523 k = 0.3333 0.5774 0.2307 ( 6192 PWs) bands (ev): -19.5645 -19.5645 -19.5637 -19.5637 -6.3314 -6.3314 -6.3216 -6.3216 -4.4495 -4.4495 -4.4046 -4.4046 -4.3381 -4.3381 -4.3202 -4.3202 -0.3891 -0.3891 -0.3293 -0.3293 3.9503 3.9503 4.0781 4.0781 5.2929 5.2929 5.3216 5.3216 5.3351 5.3351 5.4786 5.4786 5.5364 5.5364 5.6475 5.6475 5.6576 5.6576 5.7320 5.7320 5.7335 5.7335 5.8065 5.8065 5.9253 5.9253 5.9422 5.9422 7.2818 7.2818 7.2892 7.2892 9.0124 9.0124 9.0904 9.0904 11.6914 11.6914 11.8695 11.8695 12.0065 12.0065 k = 0.3333 0.5774 0.2451 ( 6180 PWs) bands (ev): -19.5641 -19.5641 -19.5641 -19.5641 -6.3314 -6.3314 -6.3216 -6.3216 -4.4489 -4.4489 -4.4051 -4.4051 -4.3357 -4.3357 -4.3227 -4.3227 -0.3891 -0.3891 -0.3292 -0.3292 3.9501 3.9501 4.0780 4.0780 5.2930 5.2930 5.3226 5.3226 5.3375 5.3375 5.4789 5.4789 5.5374 5.5374 5.6482 5.6482 5.6620 5.6620 5.7259 5.7259 5.7335 5.7335 5.8058 5.8058 5.9218 5.9218 5.9421 5.9421 7.2822 7.2822 7.2894 7.2894 9.0103 9.0103 9.0886 9.0886 11.7211 11.7211 11.9218 11.9218 12.0340 12.0340 Writing output data file BaCuSb.save init_run : 0.38s CPU 0.55s WALL ( 1 calls) electrons : 223.26s CPU 226.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 223.26s CPU 226.41s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 278 calls) cegterg : 205.81s CPU 208.28s WALL ( 392 calls) Called by sum_band: Called by *egterg: h_psi : 115.36s CPU 117.08s WALL ( 6460 calls) s_psi : 10.07s CPU 10.29s WALL ( 6460 calls) g_psi : 0.36s CPU 0.38s WALL ( 5790 calls) cdiaghg : 66.26s CPU 66.86s WALL ( 6068 calls) cegterg:over : 10.10s CPU 10.18s WALL ( 5790 calls) cegterg:upda : 9.41s CPU 9.47s WALL ( 5790 calls) cegterg:last : 4.36s CPU 4.42s WALL ( 1048 calls) cdiaghg:chol : 3.95s CPU 3.91s WALL ( 6068 calls) cdiaghg:inve : 2.63s CPU 2.80s WALL ( 6068 calls) cdiaghg:para : 4.66s CPU 4.79s WALL ( 12136 calls) Called by h_psi: h_psi:vloc : 94.22s CPU 95.87s WALL ( 6460 calls) h_psi:vnl : 20.87s CPU 20.84s WALL ( 6460 calls) add_vuspsi : 11.46s CPU 11.33s WALL ( 6460 calls) General routines calbec : 9.39s CPU 9.49s WALL ( 6460 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.61s CPU 90.10s WALL ( 824964 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.34s WALL ( 556 calls) Parallel routines fft_scatter : 27.83s CPU 28.67s WALL ( 824987 calls) PWSCF : 4m 4.21s CPU 4m16.38s WALL This run was terminated on: 13:53:49 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=