Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:39:48 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: ./KZnSb.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Zn.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 39 25 7 2752 1417 221 Max 41 26 8 2759 1448 234 Sum 1417 913 253 99141 51601 8025 bravais-lattice index = 14 lattice parameter (alat) = 8.5794 a.u. unit-cell volume = 1264.8183 (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 = 45.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.579356 celldm(2)= 1.000000 celldm(3)= 2.312775 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 2.312775 ) 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 0.432381 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 K 9.00 39.09830 K( 1.00) Sb 5.00 121.76000 Sb( 1.00) Zn 12.00 65.40900 Zn( 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 ) ( -1.1563877 ) 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 ) ( 1.1563877 ) 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 ) ( -1.1563877 ) 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 ) ( -1.1563877 ) 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 ) ( 1.1563877 ) 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 ) ( 1.1563877 ) 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 ) ( 1.1563877 ) 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 ) ( -1.1563877 ) 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 ) ( 1.1563877 ) 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 ) ( 1.1563877 ) 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 ) ( -1.1563877 ) 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 ) ( -1.1563877 ) 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= 276 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0036232 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0036232 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0036232 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0036232 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0036232 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0036232 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0036232 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0036232 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0036232 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0036232 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0036232 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0036232 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0036232 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0036232 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0036232 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0036232 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0036232 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0036232 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0036232 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0036232 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0036232 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0036232 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0036232 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0036232 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0036232 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0036232 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0036232 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0036232 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0036232 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0036232 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0036232 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0036232 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0036232 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0036232 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0036232 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0036232 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0036232 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0036232 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0036232 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 43) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0036232 k( 44) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0036232 k( 45) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0036232 k( 46) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0036232 k( 47) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0036232 k( 48) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0036232 k( 49) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0036232 k( 50) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0036232 k( 51) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0036232 k( 52) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0036232 k( 53) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0036232 k( 54) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0036232 k( 55) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0036232 k( 56) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0036232 k( 57) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0036232 k( 58) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0036232 k( 59) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0036232 k( 60) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0036232 k( 61) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0036232 k( 62) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0036232 k( 63) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0036232 k( 64) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0036232 k( 65) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0036232 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 68) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0036232 k( 69) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0036232 k( 70) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0036232 k( 71) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0036232 k( 72) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0036232 k( 73) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0036232 k( 74) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0036232 k( 75) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0036232 k( 76) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0036232 k( 77) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0036232 k( 78) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0036232 k( 79) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0036232 k( 80) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0036232 k( 81) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0036232 k( 82) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0036232 k( 83) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0036232 k( 84) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0036232 k( 85) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0036232 k( 86) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0036232 k( 87) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0036232 k( 88) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0036232 k( 89) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0036232 k( 90) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0036232 k( 91) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0036232 k( 92) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0036232 k( 93) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0036232 k( 94) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0036232 k( 95) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0036232 k( 96) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0036232 k( 97) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0036232 k( 98) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0036232 k( 99) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0036232 k( 100) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0036232 k( 101) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0036232 k( 102) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0036232 k( 103) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0036232 k( 104) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0036232 k( 105) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0036232 k( 106) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0036232 k( 107) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0036232 k( 108) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0036232 k( 109) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0036232 k( 110) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0036232 k( 111) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0036232 k( 112) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0036232 k( 113) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0036232 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 116) = ( 0.0000000 0.0000000 0.0144127), wk = 0.0036232 k( 117) = ( 0.0000000 0.0000000 0.0288254), wk = 0.0036232 k( 118) = ( 0.0000000 0.0000000 0.0432381), wk = 0.0036232 k( 119) = ( 0.0000000 0.0000000 0.0576508), wk = 0.0036232 k( 120) = ( 0.0000000 0.0000000 0.0720635), wk = 0.0036232 k( 121) = ( 0.0000000 0.0000000 0.0864762), wk = 0.0036232 k( 122) = ( 0.0000000 0.0000000 0.1008889), wk = 0.0036232 k( 123) = ( 0.0000000 0.0000000 0.1153016), wk = 0.0036232 k( 124) = ( 0.0000000 0.0000000 0.1297143), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.1441270), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.1585397), wk = 0.0036232 k( 127) = ( 0.0000000 0.0000000 0.1729524), wk = 0.0036232 k( 128) = ( 0.0000000 0.0000000 0.1873651), wk = 0.0036232 k( 129) = ( 0.0000000 0.0000000 0.2017778), wk = 0.0036232 k( 130) = ( 0.0000000 0.0000000 0.2161905), wk = 0.0036232 k( 131) = ( 0.0000000 0.0000000 0.2161905), wk = 0.0036232 k( 132) = ( 0.0125000 0.0072169 0.2161905), wk = 0.0036232 k( 133) = ( 0.0250000 0.0144338 0.2161905), wk = 0.0036232 k( 134) = ( 0.0375000 0.0216506 0.2161905), wk = 0.0036232 k( 135) = ( 0.0500000 0.0288675 0.2161905), wk = 0.0036232 k( 136) = ( 0.0625000 0.0360844 0.2161905), wk = 0.0036232 k( 137) = ( 0.0750000 0.0433013 0.2161905), wk = 0.0036232 k( 138) = ( 0.0875000 0.0505181 0.2161905), wk = 0.0036232 k( 139) = ( 0.1000000 0.0577350 0.2161905), wk = 0.0036232 k( 140) = ( 0.1125000 0.0649519 0.2161905), wk = 0.0036232 k( 141) = ( 0.1250000 0.0721688 0.2161905), wk = 0.0036232 k( 142) = ( 0.1375000 0.0793857 0.2161905), wk = 0.0036232 k( 143) = ( 0.1500000 0.0866025 0.2161905), wk = 0.0036232 k( 144) = ( 0.1625000 0.0938194 0.2161905), wk = 0.0036232 k( 145) = ( 0.1750000 0.1010363 0.2161905), wk = 0.0036232 k( 146) = ( 0.1875000 0.1082532 0.2161905), wk = 0.0036232 k( 147) = ( 0.2000000 0.1154701 0.2161905), wk = 0.0036232 k( 148) = ( 0.2125000 0.1226869 0.2161905), wk = 0.0036232 k( 149) = ( 0.2250000 0.1299038 0.2161905), wk = 0.0036232 k( 150) = ( 0.2375000 0.1371207 0.2161905), wk = 0.0036232 k( 151) = ( 0.2500000 0.1443376 0.2161905), wk = 0.0036232 k( 152) = ( 0.2625000 0.1515544 0.2161905), wk = 0.0036232 k( 153) = ( 0.2750000 0.1587713 0.2161905), wk = 0.0036232 k( 154) = ( 0.2875000 0.1659882 0.2161905), wk = 0.0036232 k( 155) = ( 0.3000000 0.1732051 0.2161905), wk = 0.0036232 k( 156) = ( 0.3125000 0.1804220 0.2161905), wk = 0.0036232 k( 157) = ( 0.3250000 0.1876388 0.2161905), wk = 0.0036232 k( 158) = ( 0.3375000 0.1948557 0.2161905), wk = 0.0036232 k( 159) = ( 0.3500000 0.2020726 0.2161905), wk = 0.0036232 k( 160) = ( 0.3625000 0.2092895 0.2161905), wk = 0.0036232 k( 161) = ( 0.3750000 0.2165064 0.2161905), wk = 0.0036232 k( 162) = ( 0.3875000 0.2237232 0.2161905), wk = 0.0036232 k( 163) = ( 0.4000000 0.2309401 0.2161905), wk = 0.0036232 k( 164) = ( 0.4125000 0.2381570 0.2161905), wk = 0.0036232 k( 165) = ( 0.4250000 0.2453739 0.2161905), wk = 0.0036232 k( 166) = ( 0.4375000 0.2525907 0.2161905), wk = 0.0036232 k( 167) = ( 0.4500000 0.2598076 0.2161905), wk = 0.0036232 k( 168) = ( 0.4625000 0.2670245 0.2161905), wk = 0.0036232 k( 169) = ( 0.4750000 0.2742414 0.2161905), wk = 0.0036232 k( 170) = ( 0.4875000 0.2814583 0.2161905), wk = 0.0036232 k( 171) = ( 0.5000000 0.2886751 0.2161905), wk = 0.0036232 k( 172) = ( 0.5000000 0.2886751 0.2161905), wk = 0.0036232 k( 173) = ( 0.4930556 0.3007033 0.2161905), wk = 0.0036232 k( 174) = ( 0.4861111 0.3127314 0.2161905), wk = 0.0036232 k( 175) = ( 0.4791667 0.3247595 0.2161905), wk = 0.0036232 k( 176) = ( 0.4722222 0.3367877 0.2161905), wk = 0.0036232 k( 177) = ( 0.4652778 0.3488158 0.2161905), wk = 0.0036232 k( 178) = ( 0.4583333 0.3608439 0.2161905), wk = 0.0036232 k( 179) = ( 0.4513889 0.3728720 0.2161905), wk = 0.0036232 k( 180) = ( 0.4444444 0.3849002 0.2161905), wk = 0.0036232 k( 181) = ( 0.4375000 0.3969283 0.2161905), wk = 0.0036232 k( 182) = ( 0.4305556 0.4089564 0.2161905), wk = 0.0036232 k( 183) = ( 0.4236111 0.4209846 0.2161905), wk = 0.0036232 k( 184) = ( 0.4166667 0.4330127 0.2161905), wk = 0.0036232 k( 185) = ( 0.4097222 0.4450408 0.2161905), wk = 0.0036232 k( 186) = ( 0.4027778 0.4570690 0.2161905), wk = 0.0036232 k( 187) = ( 0.3958333 0.4690971 0.2161905), wk = 0.0036232 k( 188) = ( 0.3888889 0.4811252 0.2161905), wk = 0.0036232 k( 189) = ( 0.3819444 0.4931534 0.2161905), wk = 0.0036232 k( 190) = ( 0.3750000 0.5051815 0.2161905), wk = 0.0036232 k( 191) = ( 0.3680556 0.5172096 0.2161905), wk = 0.0036232 k( 192) = ( 0.3611111 0.5292377 0.2161905), wk = 0.0036232 k( 193) = ( 0.3541667 0.5412659 0.2161905), wk = 0.0036232 k( 194) = ( 0.3472222 0.5532940 0.2161905), wk = 0.0036232 k( 195) = ( 0.3402778 0.5653221 0.2161905), wk = 0.0036232 k( 196) = ( 0.3333333 0.5773503 0.2161905), wk = 0.0036232 k( 197) = ( 0.3333333 0.5773503 0.2161905), wk = 0.0036232 k( 198) = ( 0.3262411 0.5650662 0.2161905), wk = 0.0036232 k( 199) = ( 0.3191489 0.5527822 0.2161905), wk = 0.0036232 k( 200) = ( 0.3120567 0.5404981 0.2161905), wk = 0.0036232 k( 201) = ( 0.3049645 0.5282141 0.2161905), wk = 0.0036232 k( 202) = ( 0.2978723 0.5159300 0.2161905), wk = 0.0036232 k( 203) = ( 0.2907801 0.5036460 0.2161905), wk = 0.0036232 k( 204) = ( 0.2836879 0.4913619 0.2161905), wk = 0.0036232 k( 205) = ( 0.2765957 0.4790779 0.2161905), wk = 0.0036232 k( 206) = ( 0.2695035 0.4667938 0.2161905), wk = 0.0036232 k( 207) = ( 0.2624113 0.4545098 0.2161905), wk = 0.0036232 k( 208) = ( 0.2553191 0.4422257 0.2161905), wk = 0.0036232 k( 209) = ( 0.2482270 0.4299417 0.2161905), wk = 0.0036232 k( 210) = ( 0.2411348 0.4176576 0.2161905), wk = 0.0036232 k( 211) = ( 0.2340425 0.4053736 0.2161905), wk = 0.0036232 k( 212) = ( 0.2269503 0.3930895 0.2161905), wk = 0.0036232 k( 213) = ( 0.2198582 0.3808055 0.2161905), wk = 0.0036232 k( 214) = ( 0.2127660 0.3685215 0.2161905), wk = 0.0036232 k( 215) = ( 0.2056738 0.3562374 0.2161905), wk = 0.0036232 k( 216) = ( 0.1985816 0.3439534 0.2161905), wk = 0.0036232 k( 217) = ( 0.1914894 0.3316693 0.2161905), wk = 0.0036232 k( 218) = ( 0.1843972 0.3193852 0.2161905), wk = 0.0036232 k( 219) = ( 0.1773050 0.3071012 0.2161905), wk = 0.0036232 k( 220) = ( 0.1702128 0.2948172 0.2161905), wk = 0.0036232 k( 221) = ( 0.1631206 0.2825331 0.2161905), wk = 0.0036232 k( 222) = ( 0.1560284 0.2702491 0.2161905), wk = 0.0036232 k( 223) = ( 0.1489362 0.2579650 0.2161905), wk = 0.0036232 k( 224) = ( 0.1418440 0.2456810 0.2161905), wk = 0.0036232 k( 225) = ( 0.1347518 0.2333969 0.2161905), wk = 0.0036232 k( 226) = ( 0.1276596 0.2211129 0.2161905), wk = 0.0036232 k( 227) = ( 0.1205674 0.2088288 0.2161905), wk = 0.0036232 k( 228) = ( 0.1134752 0.1965448 0.2161905), wk = 0.0036232 k( 229) = ( 0.1063830 0.1842607 0.2161905), wk = 0.0036232 k( 230) = ( 0.0992908 0.1719767 0.2161905), wk = 0.0036232 k( 231) = ( 0.0921986 0.1596926 0.2161905), wk = 0.0036232 k( 232) = ( 0.0851064 0.1474086 0.2161905), wk = 0.0036232 k( 233) = ( 0.0780142 0.1351245 0.2161905), wk = 0.0036232 k( 234) = ( 0.0709220 0.1228405 0.2161905), wk = 0.0036232 k( 235) = ( 0.0638298 0.1105564 0.2161905), wk = 0.0036232 k( 236) = ( 0.0567376 0.0982724 0.2161905), wk = 0.0036232 k( 237) = ( 0.0496454 0.0859883 0.2161905), wk = 0.0036232 k( 238) = ( 0.0425532 0.0737043 0.2161905), wk = 0.0036232 k( 239) = ( 0.0354610 0.0614202 0.2161905), wk = 0.0036232 k( 240) = ( 0.0283688 0.0491362 0.2161905), wk = 0.0036232 k( 241) = ( 0.0212766 0.0368522 0.2161905), wk = 0.0036232 k( 242) = ( 0.0141844 0.0245681 0.2161905), wk = 0.0036232 k( 243) = ( 0.0070922 0.0122841 0.2161905), wk = 0.0036232 k( 244) = ( 0.0000000 0.0000000 0.2161905), wk = 0.0036232 k( 245) = ( 0.5000000 0.2886751 0.2161905), wk = 0.0036232 k( 246) = ( 0.5000000 0.2886751 0.2017778), wk = 0.0036232 k( 247) = ( 0.5000000 0.2886751 0.1873651), wk = 0.0036232 k( 248) = ( 0.5000000 0.2886751 0.1729524), wk = 0.0036232 k( 249) = ( 0.5000000 0.2886751 0.1585397), wk = 0.0036232 k( 250) = ( 0.5000000 0.2886751 0.1441270), wk = 0.0036232 k( 251) = ( 0.5000000 0.2886751 0.1297143), wk = 0.0036232 k( 252) = ( 0.5000000 0.2886751 0.1153016), wk = 0.0036232 k( 253) = ( 0.5000000 0.2886751 0.1008889), wk = 0.0036232 k( 254) = ( 0.5000000 0.2886751 0.0864762), wk = 0.0036232 k( 255) = ( 0.5000000 0.2886751 0.0720635), wk = 0.0036232 k( 256) = ( 0.5000000 0.2886751 0.0576508), wk = 0.0036232 k( 257) = ( 0.5000000 0.2886751 0.0432381), wk = 0.0036232 k( 258) = ( 0.5000000 0.2886751 0.0288254), wk = 0.0036232 k( 259) = ( 0.5000000 0.2886751 0.0144127), wk = 0.0036232 k( 260) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 261) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 262) = ( 0.3333333 0.5773503 0.0144127), wk = 0.0036232 k( 263) = ( 0.3333333 0.5773503 0.0288254), wk = 0.0036232 k( 264) = ( 0.3333333 0.5773503 0.0432381), wk = 0.0036232 k( 265) = ( 0.3333333 0.5773503 0.0576508), wk = 0.0036232 k( 266) = ( 0.3333333 0.5773503 0.0720635), wk = 0.0036232 k( 267) = ( 0.3333333 0.5773503 0.0864762), wk = 0.0036232 k( 268) = ( 0.3333333 0.5773503 0.1008889), wk = 0.0036232 k( 269) = ( 0.3333333 0.5773503 0.1153016), wk = 0.0036232 k( 270) = ( 0.3333333 0.5773503 0.1297143), wk = 0.0036232 k( 271) = ( 0.3333333 0.5773503 0.1441270), wk = 0.0036232 k( 272) = ( 0.3333333 0.5773503 0.1585397), wk = 0.0036232 k( 273) = ( 0.3333333 0.5773503 0.1729524), wk = 0.0036232 k( 274) = ( 0.3333333 0.5773503 0.1873651), wk = 0.0036232 k( 275) = ( 0.3333333 0.5773503 0.2017778), wk = 0.0036232 k( 276) = ( 0.3333333 0.5773503 0.2161905), wk = 0.0036232 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0036232 k( 3) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0036232 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0036232 k( 5) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0036232 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0036232 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0036232 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0036232 k( 9) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0036232 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0036232 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0036232 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0036232 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0036232 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0036232 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0036232 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0036232 k( 17) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0036232 k( 18) = ( 0.2125000 -0.0000000 0.0000000), wk = 0.0036232 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0036232 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0036232 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0036232 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0036232 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0036232 k( 24) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0036232 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0036232 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0036232 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0036232 k( 28) = ( 0.3375000 -0.0000000 0.0000000), wk = 0.0036232 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0036232 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0036232 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0036232 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0036232 k( 33) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0036232 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0036232 k( 35) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0036232 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0036232 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0036232 k( 38) = ( 0.4625000 -0.0000000 0.0000000), wk = 0.0036232 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0036232 k( 40) = ( 0.4875000 -0.0000000 0.0000000), wk = 0.0036232 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036232 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036232 k( 43) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0036232 k( 44) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0036232 k( 45) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0036232 k( 46) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0036232 k( 47) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0036232 k( 48) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0036232 k( 49) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0036232 k( 50) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0036232 k( 51) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0036232 k( 52) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0036232 k( 53) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0036232 k( 54) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0036232 k( 55) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0036232 k( 56) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0036232 k( 57) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0036232 k( 58) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0036232 k( 59) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0036232 k( 60) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0036232 k( 61) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0036232 k( 62) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0036232 k( 63) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0036232 k( 64) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0036232 k( 65) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0036232 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036232 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036232 k( 68) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0036232 k( 69) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0036232 k( 70) = ( 0.3120567 0.3120567 0.0000000), wk = 0.0036232 k( 71) = ( 0.3049645 0.3049645 -0.0000000), wk = 0.0036232 k( 72) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0036232 k( 73) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0036232 k( 74) = ( 0.2836879 0.2836879 0.0000000), wk = 0.0036232 k( 75) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0036232 k( 76) = ( 0.2695035 0.2695035 0.0000000), wk = 0.0036232 k( 77) = ( 0.2624113 0.2624113 0.0000000), wk = 0.0036232 k( 78) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0036232 k( 79) = ( 0.2482270 0.2482270 0.0000000), wk = 0.0036232 k( 80) = ( 0.2411348 0.2411347 0.0000000), wk = 0.0036232 k( 81) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0036232 k( 82) = ( 0.2269503 0.2269503 0.0000000), wk = 0.0036232 k( 83) = ( 0.2198582 0.2198582 0.0000000), wk = 0.0036232 k( 84) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0036232 k( 85) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0036232 k( 86) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0036232 k( 87) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0036232 k( 88) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0036232 k( 89) = ( 0.1773050 0.1773050 0.0000000), wk = 0.0036232 k( 90) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0036232 k( 91) = ( 0.1631206 0.1631206 0.0000000), wk = 0.0036232 k( 92) = ( 0.1560284 0.1560284 0.0000000), wk = 0.0036232 k( 93) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0036232 k( 94) = ( 0.1418440 0.1418440 0.0000000), wk = 0.0036232 k( 95) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0036232 k( 96) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0036232 k( 97) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0036232 k( 98) = ( 0.1134752 0.1134752 0.0000000), wk = 0.0036232 k( 99) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0036232 k( 100) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0036232 k( 101) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0036232 k( 102) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0036232 k( 103) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0036232 k( 104) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0036232 k( 105) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0036232 k( 106) = ( 0.0567376 0.0567376 0.0000000), wk = 0.0036232 k( 107) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0036232 k( 108) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0036232 k( 109) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0036232 k( 110) = ( 0.0283688 0.0283688 0.0000000), wk = 0.0036232 k( 111) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0036232 k( 112) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0036232 k( 113) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0036232 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 116) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0036232 k( 117) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0036232 k( 118) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036232 k( 119) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0036232 k( 120) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036232 k( 121) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036232 k( 122) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0036232 k( 123) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0036232 k( 124) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0036232 k( 127) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036232 k( 128) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0036232 k( 129) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0036232 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 132) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0036232 k( 133) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0036232 k( 134) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0036232 k( 135) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0036232 k( 136) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0036232 k( 137) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0036232 k( 138) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0036232 k( 139) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0036232 k( 140) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0036232 k( 141) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0036232 k( 142) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0036232 k( 143) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0036232 k( 144) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0036232 k( 145) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0036232 k( 146) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0036232 k( 147) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0036232 k( 148) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0036232 k( 149) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0036232 k( 150) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0036232 k( 151) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0036232 k( 152) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0036232 k( 153) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0036232 k( 154) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0036232 k( 155) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0036232 k( 156) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0036232 k( 157) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0036232 k( 158) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0036232 k( 159) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0036232 k( 160) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0036232 k( 161) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0036232 k( 162) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0036232 k( 163) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0036232 k( 164) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0036232 k( 165) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0036232 k( 166) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0036232 k( 167) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0036232 k( 168) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0036232 k( 169) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0036232 k( 170) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0036232 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 k( 173) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0036232 k( 174) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0036232 k( 175) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0036232 k( 176) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0036232 k( 177) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0036232 k( 178) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0036232 k( 179) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0036232 k( 180) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0036232 k( 181) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0036232 k( 182) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0036232 k( 183) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0036232 k( 184) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0036232 k( 185) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0036232 k( 186) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0036232 k( 187) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0036232 k( 188) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0036232 k( 189) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0036232 k( 190) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0036232 k( 191) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0036232 k( 192) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0036232 k( 193) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0036232 k( 194) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0036232 k( 195) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0036232 k( 196) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 k( 198) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0036232 k( 199) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0036232 k( 200) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0036232 k( 201) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0036232 k( 202) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0036232 k( 203) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0036232 k( 204) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0036232 k( 205) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0036232 k( 206) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0036232 k( 207) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0036232 k( 208) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0036232 k( 209) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0036232 k( 210) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0036232 k( 211) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0036232 k( 212) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0036232 k( 213) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0036232 k( 214) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0036232 k( 215) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0036232 k( 216) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0036232 k( 217) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0036232 k( 218) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0036232 k( 219) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0036232 k( 220) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0036232 k( 221) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0036232 k( 222) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0036232 k( 223) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0036232 k( 224) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0036232 k( 225) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0036232 k( 226) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0036232 k( 227) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0036232 k( 228) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0036232 k( 229) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0036232 k( 230) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0036232 k( 231) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0036232 k( 232) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0036232 k( 233) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0036232 k( 234) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0036232 k( 235) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0036232 k( 236) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0036232 k( 237) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0036232 k( 238) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0036232 k( 239) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0036232 k( 240) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0036232 k( 241) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0036232 k( 242) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0036232 k( 243) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0036232 k( 244) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 245) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 k( 246) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0036232 k( 247) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0036232 k( 248) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0036232 k( 249) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0036232 k( 250) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0036232 k( 251) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0036232 k( 252) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0036232 k( 253) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0036232 k( 254) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0036232 k( 255) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0036232 k( 256) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0036232 k( 257) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0036232 k( 258) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0036232 k( 259) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0036232 k( 260) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036232 k( 261) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036232 k( 262) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0036232 k( 263) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0036232 k( 264) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0036232 k( 265) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0036232 k( 266) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0036232 k( 267) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0036232 k( 268) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0036232 k( 269) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0036232 k( 270) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0036232 k( 271) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036232 k( 272) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0036232 k( 273) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0036232 k( 274) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0036232 k( 275) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0036232 k( 276) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 Dense grid: 99141 G-vectors FFT dimensions: ( 45, 45, 108) Smooth grid: 51601 G-vectors FFT dimensions: ( 40, 40, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 378, 62) NL pseudopotentials 0.59 Mb ( 189, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2754) G-vector shells 0.01 Mb ( 1279) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.43 Mb ( 378, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./KZnSb.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 13.8 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.6 secs Computing kpt #: 15 total cpu time spent up to now is 16.5 secs Computing kpt #: 16 total cpu time spent up to now is 17.4 secs Computing kpt #: 17 total cpu time spent up to now is 18.3 secs Computing kpt #: 18 total cpu time spent up to now is 19.2 secs Computing kpt #: 19 total cpu time spent up to now is 19.9 secs Computing kpt #: 20 total cpu time spent up to now is 20.6 secs Computing kpt #: 21 total cpu time spent up to now is 21.2 secs Computing kpt #: 22 total cpu time spent up to now is 21.9 secs Computing kpt #: 23 total cpu time spent up to now is 22.5 secs Computing kpt #: 24 total cpu time spent up to now is 23.2 secs Computing kpt #: 25 total cpu time spent up to now is 23.9 secs Computing kpt #: 26 total cpu time spent up to now is 24.5 secs Computing kpt #: 27 total cpu time spent up to now is 25.2 secs Computing kpt #: 28 total cpu time spent up to now is 25.8 secs Computing kpt #: 29 total cpu time spent up to now is 26.4 secs Computing kpt #: 30 total cpu time spent up to now is 27.1 secs Computing kpt #: 31 total cpu time spent up to now is 27.7 secs Computing kpt #: 32 total cpu time spent up to now is 28.4 secs Computing kpt #: 33 total cpu time spent up to now is 29.1 secs Computing kpt #: 34 total cpu time spent up to now is 29.7 secs Computing kpt #: 35 total cpu time spent up to now is 30.4 secs Computing kpt #: 36 total cpu time spent up to now is 31.1 secs Computing kpt #: 37 total cpu time spent up to now is 31.8 secs Computing kpt #: 38 total cpu time spent up to now is 32.6 secs Computing kpt #: 39 total cpu time spent up to now is 33.4 secs Computing kpt #: 40 total cpu time spent up to now is 34.2 secs Computing kpt #: 41 total cpu time spent up to now is 35.0 secs Computing kpt #: 42 total cpu time spent up to now is 35.8 secs Computing kpt #: 43 total cpu time spent up to now is 36.7 secs Computing kpt #: 44 total cpu time spent up to now is 37.5 secs Computing kpt #: 45 total cpu time spent up to now is 38.3 secs Computing kpt #: 46 total cpu time spent up to now is 39.2 secs Computing kpt #: 47 total cpu time spent up to now is 40.0 secs Computing kpt #: 48 total cpu time spent up to now is 40.9 secs Computing kpt #: 49 total cpu time spent up to now is 41.7 secs Computing kpt #: 50 total cpu time spent up to now is 42.6 secs Computing kpt #: 51 total cpu time spent up to now is 43.4 secs Computing kpt #: 52 total cpu time spent up to now is 44.3 secs Computing kpt #: 53 total cpu time spent up to now is 45.2 secs Computing kpt #: 54 total cpu time spent up to now is 46.2 secs Computing kpt #: 55 total cpu time spent up to now is 47.3 secs Computing kpt #: 56 total cpu time spent up to now is 48.3 secs Computing kpt #: 57 total cpu time spent up to now is 49.2 secs Computing kpt #: 58 total cpu time spent up to now is 50.0 secs Computing kpt #: 59 total cpu time spent up to now is 50.9 secs Computing kpt #: 60 total cpu time spent up to now is 51.7 secs Computing kpt #: 61 total cpu time spent up to now is 52.6 secs Computing kpt #: 62 total cpu time spent up to now is 53.4 secs Computing kpt #: 63 total cpu time spent up to now is 54.2 secs Computing kpt #: 64 total cpu time spent up to now is 54.9 secs Computing kpt #: 65 total cpu time spent up to now is 55.7 secs Computing kpt #: 66 total cpu time spent up to now is 56.4 secs Computing kpt #: 67 total cpu time spent up to now is 57.2 secs Computing kpt #: 68 total cpu time spent up to now is 57.9 secs Computing kpt #: 69 total cpu time spent up to now is 58.8 secs Computing kpt #: 70 total cpu time spent up to now is 59.6 secs Computing kpt #: 71 total cpu time spent up to now is 60.5 secs Computing kpt #: 72 total cpu time spent up to now is 61.3 secs Computing kpt #: 73 total cpu time spent up to now is 62.2 secs Computing kpt #: 74 total cpu time spent up to now is 63.0 secs Computing kpt #: 75 total cpu time spent up to now is 63.9 secs Computing kpt #: 76 total cpu time spent up to now is 64.9 secs Computing kpt #: 77 total cpu time spent up to now is 65.9 secs Computing kpt #: 78 total cpu time spent up to now is 67.4 secs Computing kpt #: 79 total cpu time spent up to now is 68.4 secs Computing kpt #: 80 total cpu time spent up to now is 69.3 secs Computing kpt #: 81 total cpu time spent up to now is 70.2 secs Computing kpt #: 82 total cpu time spent up to now is 71.0 secs Computing kpt #: 83 total cpu time spent up to now is 71.9 secs Computing kpt #: 84 total cpu time spent up to now is 72.8 secs Computing kpt #: 85 total cpu time spent up to now is 73.6 secs Computing kpt #: 86 total cpu time spent up to now is 74.5 secs Computing kpt #: 87 total cpu time spent up to now is 75.4 secs Computing kpt #: 88 total cpu time spent up to now is 76.2 secs Computing kpt #: 89 total cpu time spent up to now is 77.1 secs Computing kpt #: 90 total cpu time spent up to now is 77.9 secs Computing kpt #: 91 total cpu time spent up to now is 78.7 secs Computing kpt #: 92 total cpu time spent up to now is 79.5 secs Computing kpt #: 93 total cpu time spent up to now is 80.4 secs Computing kpt #: 94 total cpu time spent up to now is 81.3 secs Computing kpt #: 95 total cpu time spent up to now is 82.2 secs Computing kpt #: 96 total cpu time spent up to now is 83.1 secs Computing kpt #: 97 total cpu time spent up to now is 84.0 secs Computing kpt #: 98 total cpu time spent up to now is 84.9 secs Computing kpt #: 99 total cpu time spent up to now is 85.8 secs Computing kpt #: 100 total cpu time spent up to now is 86.7 secs Computing kpt #: 101 total cpu time spent up to now is 87.5 secs Computing kpt #: 102 total cpu time spent up to now is 88.4 secs Computing kpt #: 103 total cpu time spent up to now is 89.3 secs Computing kpt #: 104 total cpu time spent up to now is 90.2 secs Computing kpt #: 105 total cpu time spent up to now is 91.2 secs Computing kpt #: 106 total cpu time spent up to now is 92.1 secs Computing kpt #: 107 total cpu time spent up to now is 93.1 secs Computing kpt #: 108 total cpu time spent up to now is 94.1 secs Computing kpt #: 109 total cpu time spent up to now is 95.0 secs Computing kpt #: 110 total cpu time spent up to now is 95.9 secs Computing kpt #: 111 total cpu time spent up to now is 96.9 secs Computing kpt #: 112 total cpu time spent up to now is 97.7 secs Computing kpt #: 113 total cpu time spent up to now is 98.7 secs Computing kpt #: 114 total cpu time spent up to now is 99.6 secs Computing kpt #: 115 total cpu time spent up to now is 100.5 secs Computing kpt #: 116 total cpu time spent up to now is 101.4 secs Computing kpt #: 117 total cpu time spent up to now is 102.3 secs Computing kpt #: 118 total cpu time spent up to now is 103.3 secs Computing kpt #: 119 total cpu time spent up to now is 104.2 secs Computing kpt #: 120 total cpu time spent up to now is 105.2 secs Computing kpt #: 121 total cpu time spent up to now is 106.1 secs Computing kpt #: 122 total cpu time spent up to now is 107.1 secs Computing kpt #: 123 total cpu time spent up to now is 108.1 secs Computing kpt #: 124 total cpu time spent up to now is 109.0 secs Computing kpt #: 125 total cpu time spent up to now is 110.1 secs Computing kpt #: 126 total cpu time spent up to now is 111.9 secs Computing kpt #: 127 total cpu time spent up to now is 112.9 secs Computing kpt #: 128 total cpu time spent up to now is 114.1 secs Computing kpt #: 129 total cpu time spent up to now is 115.3 secs Computing kpt #: 130 total cpu time spent up to now is 116.1 secs Computing kpt #: 131 total cpu time spent up to now is 117.0 secs Computing kpt #: 132 total cpu time spent up to now is 117.9 secs Computing kpt #: 133 total cpu time spent up to now is 118.8 secs Computing kpt #: 134 total cpu time spent up to now is 119.6 secs Computing kpt #: 135 total cpu time spent up to now is 120.5 secs Computing kpt #: 136 total cpu time spent up to now is 121.4 secs Computing kpt #: 137 total cpu time spent up to now is 122.3 secs Computing kpt #: 138 total cpu time spent up to now is 123.1 secs Computing kpt #: 139 total cpu time spent up to now is 124.0 secs Computing kpt #: 140 total cpu time spent up to now is 124.9 secs Computing kpt #: 141 total cpu time spent up to now is 125.8 secs Computing kpt #: 142 total cpu time spent up to now is 126.6 secs Computing kpt #: 143 total cpu time spent up to now is 127.5 secs Computing kpt #: 144 total cpu time spent up to now is 128.4 secs Computing kpt #: 145 total cpu time spent up to now is 129.3 secs Computing kpt #: 146 total cpu time spent up to now is 130.1 secs Computing kpt #: 147 total cpu time spent up to now is 131.0 secs Computing kpt #: 148 total cpu time spent up to now is 131.9 secs Computing kpt #: 149 total cpu time spent up to now is 132.7 secs Computing kpt #: 150 total cpu time spent up to now is 133.6 secs Computing kpt #: 151 total cpu time spent up to now is 134.4 secs Computing kpt #: 152 total cpu time spent up to now is 135.3 secs Computing kpt #: 153 total cpu time spent up to now is 136.1 secs Computing kpt #: 154 total cpu time spent up to now is 136.9 secs Computing kpt #: 155 total cpu time spent up to now is 137.6 secs Computing kpt #: 156 total cpu time spent up to now is 138.3 secs Computing kpt #: 157 total cpu time spent up to now is 139.1 secs Computing kpt #: 158 total cpu time spent up to now is 139.8 secs Computing kpt #: 159 total cpu time spent up to now is 140.5 secs Computing kpt #: 160 total cpu time spent up to now is 141.3 secs Computing kpt #: 161 total cpu time spent up to now is 142.0 secs Computing kpt #: 162 total cpu time spent up to now is 142.8 secs Computing kpt #: 163 total cpu time spent up to now is 143.5 secs Computing kpt #: 164 total cpu time spent up to now is 144.2 secs Computing kpt #: 165 total cpu time spent up to now is 144.9 secs Computing kpt #: 166 total cpu time spent up to now is 145.7 secs Computing kpt #: 167 total cpu time spent up to now is 146.4 secs Computing kpt #: 168 total cpu time spent up to now is 147.2 secs Computing kpt #: 169 total cpu time spent up to now is 148.1 secs Computing kpt #: 170 total cpu time spent up to now is 148.9 secs Computing kpt #: 171 total cpu time spent up to now is 149.7 secs Computing kpt #: 172 total cpu time spent up to now is 150.5 secs Computing kpt #: 173 total cpu time spent up to now is 151.4 secs Computing kpt #: 174 total cpu time spent up to now is 152.2 secs Computing kpt #: 175 total cpu time spent up to now is 153.0 secs Computing kpt #: 176 total cpu time spent up to now is 154.0 secs Computing kpt #: 177 total cpu time spent up to now is 155.3 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.4 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.6 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.8 secs Computing kpt #: 181 total cpu time spent up to now is 163.5 secs Computing kpt #: 182 total cpu time spent up to now is 165.4 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.6 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.7 secs Computing kpt #: 185 total cpu time spent up to now is 171.6 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.7 secs Computing kpt #: 187 total cpu time spent up to now is 175.5 secs Computing kpt #: 188 total cpu time spent up to now is 176.8 secs Computing kpt #: 189 total cpu time spent up to now is 177.8 secs Computing kpt #: 190 total cpu time spent up to now is 178.7 secs Computing kpt #: 191 total cpu time spent up to now is 179.7 secs Computing kpt #: 192 total cpu time spent up to now is 180.7 secs Computing kpt #: 193 total cpu time spent up to now is 181.6 secs Computing kpt #: 194 total cpu time spent up to now is 182.6 secs Computing kpt #: 195 total cpu time spent up to now is 183.6 secs Computing kpt #: 196 total cpu time spent up to now is 184.6 secs Computing kpt #: 197 total cpu time spent up to now is 185.6 secs Computing kpt #: 198 total cpu time spent up to now is 186.7 secs Computing kpt #: 199 total cpu time spent up to now is 187.7 secs Computing kpt #: 200 total cpu time spent up to now is 188.8 secs Computing kpt #: 201 total cpu time spent up to now is 190.4 secs Computing kpt #: 202 total cpu time spent up to now is 191.6 secs Computing kpt #: 203 total cpu time spent up to now is 192.8 secs Computing kpt #: 204 total cpu time spent up to now is 193.8 secs Computing kpt #: 205 total cpu time spent up to now is 195.0 secs Computing kpt #: 206 total cpu time spent up to now is 196.5 secs Computing kpt #: 207 total cpu time spent up to now is 197.7 secs Computing kpt #: 208 total cpu time spent up to now is 198.9 secs Computing kpt #: 209 total cpu time spent up to now is 200.2 secs Computing kpt #: 210 total cpu time spent up to now is 201.4 secs Computing kpt #: 211 total cpu time spent up to now is 202.5 secs Computing kpt #: 212 total cpu time spent up to now is 203.7 secs Computing kpt #: 213 total cpu time spent up to now is 205.0 secs Computing kpt #: 214 total cpu time spent up to now is 205.9 secs Computing kpt #: 215 total cpu time spent up to now is 206.8 secs Computing kpt #: 216 total cpu time spent up to now is 207.7 secs Computing kpt #: 217 total cpu time spent up to now is 208.6 secs Computing kpt #: 218 total cpu time spent up to now is 209.4 secs Computing kpt #: 219 total cpu time spent up to now is 210.3 secs Computing kpt #: 220 total cpu time spent up to now is 211.2 secs Computing kpt #: 221 total cpu time spent up to now is 212.0 secs Computing kpt #: 222 total cpu time spent up to now is 212.9 secs Computing kpt #: 223 total cpu time spent up to now is 213.8 secs Computing kpt #: 224 total cpu time spent up to now is 214.7 secs Computing kpt #: 225 total cpu time spent up to now is 215.5 secs Computing kpt #: 226 total cpu time spent up to now is 216.4 secs Computing kpt #: 227 total cpu time spent up to now is 217.3 secs Computing kpt #: 228 total cpu time spent up to now is 218.2 secs Computing kpt #: 229 total cpu time spent up to now is 219.0 secs Computing kpt #: 230 total cpu time spent up to now is 219.9 secs Computing kpt #: 231 total cpu time spent up to now is 220.8 secs Computing kpt #: 232 total cpu time spent up to now is 221.7 secs Computing kpt #: 233 total cpu time spent up to now is 222.7 secs Computing kpt #: 234 total cpu time spent up to now is 223.6 secs Computing kpt #: 235 total cpu time spent up to now is 224.6 secs Computing kpt #: 236 total cpu time spent up to now is 225.5 secs Computing kpt #: 237 total cpu time spent up to now is 226.4 secs Computing kpt #: 238 total cpu time spent up to now is 227.4 secs Computing kpt #: 239 total cpu time spent up to now is 228.4 secs Computing kpt #: 240 total cpu time spent up to now is 229.3 secs Computing kpt #: 241 total cpu time spent up to now is 230.4 secs Computing kpt #: 242 total cpu time spent up to now is 232.1 secs Computing kpt #: 243 total cpu time spent up to now is 233.1 secs Computing kpt #: 244 total cpu time spent up to now is 233.9 secs Computing kpt #: 245 total cpu time spent up to now is 234.8 secs Computing kpt #: 246 total cpu time spent up to now is 235.7 secs Computing kpt #: 247 total cpu time spent up to now is 236.6 secs Computing kpt #: 248 total cpu time spent up to now is 237.5 secs Computing kpt #: 249 total cpu time spent up to now is 238.3 secs Computing kpt #: 250 total cpu time spent up to now is 239.2 secs Computing kpt #: 251 total cpu time spent up to now is 240.0 secs Computing kpt #: 252 total cpu time spent up to now is 240.8 secs Computing kpt #: 253 total cpu time spent up to now is 241.7 secs Computing kpt #: 254 total cpu time spent up to now is 242.5 secs Computing kpt #: 255 total cpu time spent up to now is 243.5 secs Computing kpt #: 256 total cpu time spent up to now is 244.3 secs Computing kpt #: 257 total cpu time spent up to now is 245.1 secs Computing kpt #: 258 total cpu time spent up to now is 245.9 secs Computing kpt #: 259 total cpu time spent up to now is 246.8 secs Computing kpt #: 260 total cpu time spent up to now is 247.6 secs Computing kpt #: 261 total cpu time spent up to now is 248.4 secs Computing kpt #: 262 total cpu time spent up to now is 249.2 secs Computing kpt #: 263 total cpu time spent up to now is 250.0 secs Computing kpt #: 264 total cpu time spent up to now is 250.7 secs Computing kpt #: 265 total cpu time spent up to now is 251.4 secs Computing kpt #: 266 total cpu time spent up to now is 252.2 secs Computing kpt #: 267 total cpu time spent up to now is 252.9 secs Computing kpt #: 268 total cpu time spent up to now is 253.7 secs Computing kpt #: 269 total cpu time spent up to now is 254.4 secs Computing kpt #: 270 total cpu time spent up to now is 255.3 secs Computing kpt #: 271 total cpu time spent up to now is 256.2 secs Computing kpt #: 272 total cpu time spent up to now is 257.0 secs Computing kpt #: 273 total cpu time spent up to now is 257.9 secs Computing kpt #: 274 total cpu time spent up to now is 259.1 secs Computing kpt #: 275 total cpu time spent up to now is 260.2 secs Computing kpt #: 276 total cpu time spent up to now is 261.2 secs ethr = 1.92E-08, avg # of iterations = 30.0 total cpu time spent up to now is 261.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6373 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3204 -9.3204 -9.3018 -9.3018 -9.0734 -9.0734 -9.0445 -9.0445 -9.0268 -9.0268 -9.0251 -9.0251 -4.7515 -4.7515 -4.5595 -4.5595 -2.3664 -2.3664 -2.3635 -2.3635 -2.2154 -2.2154 -2.2005 -2.2005 -2.0657 -2.0657 -2.0623 -2.0623 -1.9143 -1.9143 -1.9106 -1.9106 -1.8441 -1.8441 -1.8117 -1.8117 2.1602 2.1602 3.5724 3.5724 4.6220 4.6220 4.8079 4.8079 5.0044 5.0044 5.1823 5.1823 5.5354 5.5354 5.6244 5.6244 6.8573 6.8573 8.4978 8.4978 8.5486 8.5486 k = 0.0125 0.0072-0.0000 ( 6383 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3204 -9.3204 -9.3018 -9.3018 -9.0734 -9.0734 -9.0445 -9.0445 -9.0270 -9.0270 -9.0252 -9.0252 -4.7504 -4.7504 -4.5586 -4.5586 -2.3663 -2.3663 -2.3634 -2.3634 -2.2155 -2.2155 -2.2006 -2.2006 -2.0655 -2.0655 -2.0622 -2.0622 -1.9143 -1.9143 -1.9107 -1.9107 -1.8440 -1.8440 -1.8116 -1.8116 2.1619 2.1619 3.5730 3.5730 4.6060 4.6060 4.7878 4.7878 4.9806 4.9806 5.1474 5.1474 5.5830 5.5830 5.6603 5.6603 6.8613 6.8613 8.5018 8.5018 8.5520 8.5520 k = 0.0250 0.0144-0.0000 ( 6403 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3204 -9.3204 -9.3020 -9.3020 -9.0734 -9.0734 -9.0446 -9.0446 -9.0273 -9.0273 -9.0255 -9.0255 -4.7471 -4.7471 -4.5561 -4.5561 -2.3660 -2.3660 -2.3632 -2.3632 -2.2156 -2.2156 -2.2008 -2.2008 -2.0651 -2.0651 -2.0619 -2.0619 -1.9144 -1.9144 -1.9108 -1.9108 -1.8439 -1.8439 -1.8116 -1.8116 2.1669 2.1669 3.5745 3.5745 4.5559 4.5559 4.7257 4.7257 4.9273 4.9273 5.0824 5.0824 5.6874 5.6874 5.7516 5.7516 6.8732 6.8732 8.5124 8.5124 8.5635 8.5635 k = 0.0375 0.0217-0.0000 ( 6409 PWs) bands (ev): -25.6318 -25.6318 -25.6314 -25.6314 -9.3205 -9.3205 -9.3022 -9.3022 -9.0734 -9.0734 -9.0447 -9.0447 -9.0278 -9.0278 -9.0259 -9.0259 -4.7416 -4.7416 -4.5519 -4.5519 -2.3655 -2.3655 -2.3628 -2.3628 -2.2157 -2.2157 -2.2012 -2.2012 -2.0643 -2.0643 -2.0612 -2.0612 -1.9145 -1.9145 -1.9110 -1.9110 -1.8436 -1.8436 -1.8114 -1.8114 2.1753 2.1753 3.5770 3.5770 4.4704 4.4704 4.6243 4.6243 4.8720 4.8720 5.0242 5.0242 5.8088 5.8088 5.8726 5.8726 6.8933 6.8933 8.5266 8.5266 8.5866 8.5866 k = 0.0500 0.0289-0.0000 ( 6421 PWs) bands (ev): -25.6317 -25.6317 -25.6314 -25.6314 -9.3205 -9.3205 -9.3026 -9.3026 -9.0734 -9.0734 -9.0449 -9.0449 -9.0284 -9.0284 -9.0265 -9.0265 -4.7340 -4.7340 -4.5461 -4.5461 -2.3649 -2.3649 -2.3622 -2.3622 -2.2159 -2.2159 -2.2016 -2.2016 -2.0631 -2.0631 -2.0603 -2.0603 -1.9147 -1.9147 -1.9114 -1.9114 -1.8433 -1.8433 -1.8111 -1.8111 2.1870 2.1870 3.5801 3.5801 4.3551 4.3551 4.4955 4.4955 4.8248 4.8248 4.9761 4.9761 5.9317 5.9317 6.0069 6.0069 6.9216 6.9216 8.5428 8.5428 8.6233 8.6233 k = 0.0625 0.0361-0.0000 ( 6413 PWs) bands (ev): -25.6317 -25.6317 -25.6313 -25.6313 -9.3206 -9.3206 -9.3030 -9.3030 -9.0734 -9.0734 -9.0450 -9.0450 -9.0292 -9.0292 -9.0272 -9.0272 -4.7241 -4.7241 -4.5386 -4.5386 -2.3640 -2.3640 -2.3615 -2.3615 -2.2162 -2.2162 -2.2022 -2.2022 -2.0617 -2.0617 -2.0591 -2.0591 -1.9149 -1.9149 -1.9117 -1.9117 -1.8428 -1.8428 -1.8107 -1.8107 2.2019 2.2019 3.5834 3.5834 4.2203 4.2203 4.3519 4.3519 4.7836 4.7836 4.9322 4.9322 6.0495 6.0495 6.1456 6.1456 6.9582 6.9582 8.5628 8.5628 8.6727 8.6727 k = 0.0750 0.0433-0.0000 ( 6414 PWs) bands (ev): -25.6316 -25.6316 -25.6312 -25.6312 -9.3207 -9.3207 -9.3035 -9.3035 -9.0734 -9.0734 -9.0453 -9.0453 -9.0302 -9.0302 -9.0281 -9.0281 -4.7122 -4.7122 -4.5295 -4.5295 -2.3629 -2.3629 -2.3606 -2.3606 -2.2165 -2.2165 -2.2029 -2.2029 -2.0599 -2.0599 -2.0577 -2.0577 -1.9151 -1.9151 -1.9122 -1.9122 -1.8422 -1.8422 -1.8102 -1.8102 2.2201 2.2201 3.5856 3.5856 4.0739 4.0739 4.2019 4.2019 4.7447 4.7447 4.8883 4.8883 6.1588 6.1588 6.2834 6.2834 7.0026 7.0026 8.5890 8.5890 8.7329 8.7329 k = 0.0875 0.0505-0.0000 ( 6412 PWs) bands (ev): -25.6315 -25.6315 -25.6311 -25.6311 -9.3209 -9.3209 -9.3040 -9.3040 -9.0734 -9.0734 -9.0456 -9.0456 -9.0312 -9.0312 -9.0291 -9.0291 -4.6981 -4.6981 -4.5188 -4.5188 -2.3616 -2.3616 -2.3596 -2.3596 -2.2168 -2.2168 -2.2036 -2.2036 -2.0579 -2.0579 -2.0559 -2.0559 -1.9154 -1.9154 -1.9127 -1.9127 -1.8415 -1.8415 -1.8096 -1.8096 2.2414 2.2414 3.5844 3.5844 3.9212 3.9212 4.0520 4.0520 4.7057 4.7057 4.8427 4.8427 6.2580 6.2580 6.4161 6.4161 7.0538 7.0538 8.6240 8.6240 8.7971 8.7971 k = 0.1000 0.0577-0.0000 ( 6412 PWs) bands (ev): -25.6314 -25.6314 -25.6310 -25.6310 -9.3210 -9.3210 -9.3047 -9.3047 -9.0734 -9.0734 -9.0461 -9.0461 -9.0324 -9.0324 -9.0302 -9.0302 -4.6821 -4.6821 -4.5066 -4.5066 -2.3601 -2.3601 -2.3583 -2.3583 -2.2171 -2.2171 -2.2044 -2.2044 -2.0555 -2.0555 -2.0540 -2.0540 -1.9157 -1.9157 -1.9133 -1.9133 -1.8407 -1.8407 -1.8089 -1.8089 2.2659 2.2659 3.5725 3.5725 3.7655 3.7655 3.9113 3.9113 4.6654 4.6654 4.7949 4.7949 6.3466 6.3466 6.5398 6.5398 7.1097 7.1097 8.6696 8.6696 8.7920 8.7920 k = 0.1125 0.0650-0.0000 ( 6426 PWs) bands (ev): -25.6313 -25.6313 -25.6310 -25.6310 -9.3213 -9.3213 -9.3054 -9.3054 -9.0735 -9.0735 -9.0466 -9.0466 -9.0336 -9.0336 -9.0315 -9.0315 -4.6640 -4.6640 -4.4928 -4.4928 -2.3584 -2.3584 -2.3570 -2.3570 -2.2175 -2.2175 -2.2053 -2.2053 -2.0529 -2.0529 -2.0518 -2.0518 -1.9161 -1.9161 -1.9140 -1.9140 -1.8398 -1.8398 -1.8081 -1.8081 2.2933 2.2933 3.5297 3.5297 3.6100 3.6100 3.7999 3.7999 4.6234 4.6234 4.7448 4.7448 6.4252 6.4252 6.6509 6.6509 7.1680 7.1680 8.7235 8.7235 8.7651 8.7651 k = 0.1250 0.0722-0.0000 ( 6438 PWs) bands (ev): -25.6312 -25.6312 -25.6309 -25.6309 -9.3215 -9.3215 -9.3063 -9.3063 -9.0735 -9.0735 -9.0473 -9.0473 -9.0347 -9.0347 -9.0328 -9.0328 -4.6441 -4.6441 -4.4776 -4.4776 -2.3566 -2.3566 -2.3554 -2.3554 -2.2180 -2.2180 -2.2063 -2.2063 -2.0502 -2.0502 -2.0492 -2.0492 -1.9165 -1.9165 -1.9146 -1.9146 -1.8387 -1.8387 -1.8072 -1.8072 2.3235 2.3235 3.4254 3.4254 3.4625 3.4625 3.7427 3.7427 4.5795 4.5795 4.6928 4.6928 6.4951 6.4951 6.7458 6.7458 7.2259 7.2259 8.6867 8.6867 8.7527 8.7527 k = 0.1375 0.0794-0.0000 ( 6430 PWs) bands (ev): -25.6311 -25.6311 -25.6307 -25.6307 -9.3218 -9.3218 -9.3072 -9.3072 -9.0736 -9.0736 -9.0482 -9.0482 -9.0359 -9.0359 -9.0342 -9.0342 -4.6223 -4.6223 -4.4609 -4.4609 -2.3546 -2.3546 -2.3537 -2.3537 -2.2183 -2.2183 -2.2072 -2.2072 -2.0471 -2.0471 -2.0464 -2.0464 -1.9169 -1.9169 -1.9153 -1.9153 -1.8375 -1.8375 -1.8061 -1.8061 2.3564 2.3564 3.2771 3.2771 3.3197 3.3197 3.7270 3.7270 4.5339 4.5339 4.6393 4.6393 6.5578 6.5578 6.8216 6.8216 7.2807 7.2807 8.5644 8.5644 8.7613 8.7613 k = 0.1500 0.0866-0.0000 ( 6430 PWs) bands (ev): -25.6309 -25.6309 -25.6306 -25.6306 -9.3222 -9.3222 -9.3082 -9.3082 -9.0737 -9.0737 -9.0493 -9.0493 -9.0369 -9.0369 -9.0357 -9.0357 -4.5987 -4.5987 -4.4429 -4.4429 -2.3524 -2.3524 -2.3518 -2.3518 -2.2187 -2.2187 -2.2081 -2.2081 -2.0440 -2.0440 -2.0432 -2.0432 -1.9174 -1.9174 -1.9161 -1.9161 -1.8362 -1.8362 -1.8048 -1.8048 2.3913 2.3913 3.1209 3.1209 3.1706 3.1706 3.7289 3.7289 4.4869 4.4869 4.5848 4.5848 6.6146 6.6146 6.8769 6.8769 7.3302 7.3302 8.4398 8.4398 8.7922 8.7922 k = 0.1625 0.0938-0.0000 ( 6438 PWs) bands (ev): -25.6308 -25.6308 -25.6304 -25.6304 -9.3225 -9.3225 -9.3093 -9.3093 -9.0738 -9.0738 -9.0506 -9.0506 -9.0378 -9.0378 -9.0372 -9.0372 -4.5734 -4.5734 -4.4236 -4.4236 -2.3501 -2.3501 -2.3497 -2.3497 -2.2191 -2.2191 -2.2090 -2.2090 -2.0407 -2.0407 -2.0397 -2.0397 -1.9179 -1.9179 -1.9168 -1.9168 -1.8347 -1.8347 -1.8034 -1.8034 2.4276 2.4276 2.9649 2.9649 3.0190 3.0190 3.7383 3.7383 4.4387 4.4387 4.5300 4.5300 6.6667 6.6667 6.9122 6.9122 7.3728 7.3728 8.3161 8.3161 8.8465 8.8465 k = 0.1750 0.1010-0.0000 ( 6438 PWs) bands (ev): -25.6306 -25.6306 -25.6303 -25.6303 -9.3229 -9.3229 -9.3104 -9.3104 -9.0739 -9.0739 -9.0522 -9.0522 -9.0388 -9.0388 -9.0386 -9.0386 -4.5466 -4.5466 -4.4030 -4.4030 -2.3477 -2.3477 -2.3473 -2.3473 -2.2194 -2.2194 -2.2098 -2.2098 -2.0373 -2.0373 -2.0359 -2.0359 -1.9184 -1.9184 -1.9174 -1.9174 -1.8330 -1.8330 -1.8017 -1.8017 2.4623 2.4623 2.8116 2.8116 2.8690 2.8690 3.7514 3.7514 4.3896 4.3896 4.4753 4.4753 6.7145 6.7145 6.9291 6.9291 7.4083 7.4083 8.1938 8.1938 8.9214 8.9214 k = 0.1875 0.1083-0.0000 ( 6434 PWs) bands (ev): -25.6305 -25.6305 -25.6301 -25.6301 -9.3234 -9.3234 -9.3116 -9.3116 -9.0741 -9.0741 -9.0539 -9.0539 -9.0403 -9.0403 -9.0392 -9.0392 -4.5183 -4.5183 -4.3813 -4.3813 -2.3452 -2.3452 -2.3446 -2.3446 -2.2197 -2.2197 -2.2106 -2.2106 -2.0336 -2.0336 -2.0320 -2.0320 -1.9190 -1.9190 -1.9180 -1.9180 -1.8311 -1.8311 -1.7999 -1.7999 2.4841 2.4841 2.6663 2.6663 2.7289 2.7289 3.7665 3.7665 4.3400 4.3400 4.4214 4.4214 6.7583 6.7583 6.9305 6.9305 7.4378 7.4378 8.0731 8.0731 9.0060 9.0060 k = 0.2000 0.1155-0.0000 ( 6428 PWs) bands (ev): -25.6303 -25.6303 -25.6299 -25.6299 -9.3239 -9.3239 -9.3128 -9.3128 -9.0743 -9.0743 -9.0558 -9.0558 -9.0418 -9.0418 -9.0397 -9.0397 -4.4886 -4.4886 -4.3585 -4.3585 -2.3427 -2.3427 -2.3418 -2.3418 -2.2199 -2.2199 -2.2112 -2.2112 -2.0298 -2.0298 -2.0278 -2.0278 -1.9197 -1.9197 -1.9185 -1.9185 -1.8290 -1.8290 -1.7978 -1.7978 2.4400 2.4400 2.5346 2.5346 2.6469 2.6469 3.7826 3.7826 4.2900 4.2900 4.3689 4.3689 6.7978 6.7978 6.9192 6.9192 7.4635 7.4635 7.9541 7.9541 9.0510 9.0510 k = 0.2125 0.1227-0.0000 ( 6442 PWs) bands (ev): -25.6301 -25.6301 -25.6298 -25.6298 -9.3245 -9.3245 -9.3142 -9.3142 -9.0746 -9.0746 -9.0579 -9.0579 -9.0432 -9.0432 -9.0401 -9.0401 -4.4578 -4.4578 -4.3348 -4.3348 -2.3400 -2.3400 -2.3388 -2.3388 -2.2200 -2.2200 -2.2118 -2.2118 -2.0257 -2.0257 -2.0235 -2.0235 -1.9204 -1.9204 -1.9190 -1.9190 -1.8266 -1.8266 -1.7954 -1.7954 2.3151 2.3151 2.3961 2.3961 2.6593 2.6593 3.7988 3.7988 4.2402 4.2402 4.3184 4.3184 6.8325 6.8325 6.8982 6.8982 7.4880 7.4880 7.8368 7.8368 9.0000 9.0000 k = 0.2250 0.1299-0.0000 ( 6444 PWs) bands (ev): -25.6300 -25.6300 -25.6296 -25.6296 -9.3251 -9.3251 -9.3156 -9.3156 -9.0750 -9.0750 -9.0601 -9.0601 -9.0446 -9.0446 -9.0405 -9.0405 -4.4258 -4.4258 -4.3102 -4.3102 -2.3371 -2.3371 -2.3357 -2.3357 -2.2200 -2.2200 -2.2122 -2.2122 -2.0215 -2.0215 -2.0191 -2.0191 -1.9211 -1.9211 -1.9194 -1.9194 -1.8240 -1.8240 -1.7928 -1.7928 2.1721 2.1721 2.2533 2.2533 2.7012 2.7012 3.8142 3.8142 4.1909 4.1909 4.2709 4.2709 6.8599 6.8599 6.8717 6.8717 7.5139 7.5139 7.7213 7.7213 8.9120 8.9120 k = 0.2375 0.1371-0.0000 ( 6444 PWs) bands (ev): -25.6298 -25.6298 -25.6294 -25.6294 -9.3257 -9.3257 -9.3170 -9.3170 -9.0754 -9.0754 -9.0623 -9.0623 -9.0458 -9.0458 -9.0407 -9.0407 -4.3930 -4.3930 -4.2848 -4.2848 -2.3341 -2.3341 -2.3325 -2.3325 -2.2199 -2.2199 -2.2125 -2.2125 -2.0171 -2.0171 -2.0145 -2.0145 -1.9217 -1.9217 -1.9198 -1.9198 -1.8211 -1.8211 -1.7897 -1.7897 2.0271 2.0271 2.1115 2.1115 2.7515 2.7515 3.8276 3.8276 4.1424 4.1424 4.2275 4.2275 6.8347 6.8347 6.8867 6.8867 7.5427 7.5427 7.6084 7.6084 8.8143 8.8143 k = 0.2500 0.1443-0.0000 ( 6452 PWs) bands (ev): -25.6296 -25.6296 -25.6292 -25.6292 -9.3264 -9.3264 -9.3184 -9.3184 -9.0760 -9.0760 -9.0645 -9.0645 -9.0470 -9.0470 -9.0409 -9.0409 -4.3594 -4.3594 -4.2589 -4.2589 -2.3310 -2.3310 -2.3292 -2.3292 -2.2197 -2.2197 -2.2126 -2.2126 -2.0126 -2.0126 -2.0099 -2.0099 -1.9223 -1.9223 -1.9201 -1.9201 -1.8178 -1.8178 -1.7864 -1.7864 1.8835 1.8835 1.9721 1.9721 2.8061 2.8061 3.8373 3.8373 4.0952 4.0952 4.1896 4.1896 6.7973 6.7973 6.9042 6.9042 7.4942 7.4942 7.5797 7.5797 8.7131 8.7131 k = 0.2625 0.1516-0.0000 ( 6450 PWs) bands (ev): -25.6295 -25.6295 -25.6291 -25.6291 -9.3271 -9.3271 -9.3199 -9.3199 -9.0766 -9.0766 -9.0668 -9.0668 -9.0480 -9.0480 -9.0411 -9.0411 -4.3253 -4.3253 -4.2325 -4.2325 -2.3277 -2.3277 -2.3259 -2.3259 -2.2193 -2.2193 -2.2125 -2.2125 -2.0080 -2.0080 -2.0051 -2.0051 -1.9228 -1.9228 -1.9204 -1.9204 -1.8141 -1.8141 -1.7826 -1.7826 1.7423 1.7423 1.8358 1.8358 2.8636 2.8636 3.8412 3.8412 4.0497 4.0497 4.1592 4.1592 6.7575 6.7575 6.9160 6.9160 7.3849 7.3849 7.6199 7.6199 8.6110 8.6110 k = 0.2750 0.1588-0.0000 ( 6454 PWs) bands (ev): -25.6293 -25.6293 -25.6289 -25.6289 -9.3279 -9.3279 -9.3213 -9.3213 -9.0773 -9.0773 -9.0690 -9.0690 -9.0489 -9.0489 -9.0412 -9.0412 -4.2909 -4.2909 -4.2057 -4.2057 -2.3244 -2.3244 -2.3225 -2.3225 -2.2187 -2.2187 -2.2121 -2.2121 -2.0032 -2.0032 -2.0004 -2.0004 -1.9233 -1.9233 -1.9207 -1.9207 -1.8100 -1.8100 -1.7783 -1.7783 1.6040 1.6040 1.7028 1.7028 2.9233 2.9233 3.8371 3.8371 4.0063 4.0063 4.1384 4.1384 6.7165 6.7165 6.9222 6.9222 7.2772 7.2772 7.6669 7.6669 8.5093 8.5093 k = 0.2875 0.1660-0.0000 ( 6454 PWs) bands (ev): -25.6291 -25.6291 -25.6287 -25.6287 -9.3287 -9.3287 -9.3228 -9.3228 -9.0781 -9.0781 -9.0712 -9.0712 -9.0497 -9.0497 -9.0413 -9.0413 -4.2563 -4.2563 -4.1788 -4.1788 -2.3210 -2.3210 -2.3192 -2.3192 -2.2179 -2.2179 -2.2116 -2.2116 -1.9984 -1.9984 -1.9957 -1.9957 -1.9237 -1.9237 -1.9209 -1.9209 -1.8053 -1.8053 -1.7736 -1.7736 1.4692 1.4692 1.5735 1.5735 2.9847 2.9847 3.8241 3.8241 3.9651 3.9651 4.1282 4.1282 6.6752 6.6752 6.9234 6.9234 7.1719 7.1719 7.7199 7.7199 8.4091 8.4091 k = 0.3000 0.1732-0.0000 ( 6460 PWs) bands (ev): -25.6289 -25.6289 -25.6285 -25.6285 -9.3295 -9.3295 -9.3243 -9.3243 -9.0790 -9.0790 -9.0733 -9.0733 -9.0503 -9.0503 -9.0414 -9.0414 -4.2219 -4.2219 -4.1518 -4.1518 -2.3176 -2.3176 -2.3159 -2.3159 -2.2169 -2.2169 -2.2108 -2.2108 -1.9937 -1.9937 -1.9910 -1.9910 -1.9240 -1.9240 -1.9210 -1.9210 -1.8001 -1.8001 -1.7683 -1.7683 1.3381 1.3381 1.4483 1.4483 3.0475 3.0475 3.8031 3.8031 3.9261 3.9261 4.1278 4.1278 6.6343 6.6343 6.9198 6.9198 7.0699 7.0699 7.7785 7.7785 8.3110 8.3110 k = 0.3125 0.1804-0.0000 ( 6464 PWs) bands (ev): -25.6288 -25.6288 -25.6284 -25.6284 -9.3303 -9.3303 -9.3257 -9.3257 -9.0800 -9.0800 -9.0753 -9.0753 -9.0508 -9.0508 -9.0415 -9.0415 -4.1879 -4.1879 -4.1249 -4.1249 -2.3142 -2.3142 -2.3127 -2.3127 -2.2157 -2.2157 -2.2098 -2.2098 -1.9889 -1.9889 -1.9864 -1.9864 -1.9241 -1.9241 -1.9210 -1.9210 -1.7942 -1.7942 -1.7625 -1.7625 1.2111 1.2111 1.3274 1.3274 3.1111 3.1111 3.7764 3.7764 3.8896 3.8896 4.1349 4.1349 6.5943 6.5943 6.9080 6.9080 6.9755 6.9755 7.8419 7.8419 8.2157 8.2157 k = 0.3250 0.1876-0.0000 ( 6468 PWs) bands (ev): -25.6286 -25.6286 -25.6282 -25.6282 -9.3311 -9.3311 -9.3272 -9.3272 -9.0810 -9.0810 -9.0773 -9.0773 -9.0512 -9.0512 -9.0415 -9.0415 -4.1546 -4.1546 -4.0983 -4.0983 -2.3108 -2.3108 -2.3096 -2.3096 -2.2142 -2.2142 -2.2086 -2.2086 -1.9843 -1.9843 -1.9819 -1.9819 -1.9242 -1.9242 -1.9210 -1.9210 -1.7877 -1.7877 -1.7560 -1.7560 1.0885 1.0885 1.2111 1.2111 3.1750 3.1750 3.7466 3.7466 3.8557 3.8557 4.1468 4.1468 6.5558 6.5558 6.8542 6.8542 6.9237 6.9237 7.9096 7.9096 8.1237 8.1237 k = 0.3375 0.1949-0.0000 ( 6464 PWs) bands (ev): -25.6285 -25.6285 -25.6281 -25.6281 -9.3320 -9.3320 -9.3285 -9.3285 -9.0820 -9.0820 -9.0791 -9.0791 -9.0515 -9.0515 -9.0415 -9.0415 -4.1222 -4.1222 -4.0721 -4.0721 -2.3075 -2.3075 -2.3067 -2.3067 -2.2124 -2.2124 -2.2071 -2.2071 -1.9799 -1.9799 -1.9776 -1.9776 -1.9242 -1.9242 -1.9209 -1.9209 -1.7804 -1.7804 -1.7490 -1.7490 0.9708 0.9708 1.0998 1.0998 3.2386 3.2386 3.7157 3.7157 3.8247 3.8247 4.1616 4.1616 6.5189 6.5189 6.7649 6.7649 6.9089 6.9089 7.9808 7.9808 8.0356 8.0356 k = 0.3500 0.2021-0.0000 ( 6458 PWs) bands (ev): -25.6283 -25.6283 -25.6279 -25.6279 -9.3328 -9.3328 -9.3299 -9.3299 -9.0831 -9.0831 -9.0808 -9.0808 -9.0516 -9.0516 -9.0415 -9.0415 -4.0912 -4.0912 -4.0464 -4.0464 -2.3045 -2.3045 -2.3040 -2.3040 -2.2104 -2.2104 -2.2054 -2.2054 -1.9757 -1.9757 -1.9734 -1.9734 -1.9240 -1.9240 -1.9207 -1.9207 -1.7723 -1.7723 -1.7413 -1.7413 0.8583 0.8583 0.9938 0.9938 3.3009 3.3009 3.6852 3.6852 3.7974 3.7974 4.1775 4.1775 6.4840 6.4840 6.6743 6.6743 6.8980 6.8980 7.9518 7.9518 8.0552 8.0552 k = 0.3625 0.2093-0.0000 ( 6458 PWs) bands (ev): -25.6282 -25.6282 -25.6278 -25.6278 -9.3336 -9.3336 -9.3311 -9.3311 -9.0841 -9.0841 -9.0824 -9.0824 -9.0517 -9.0517 -9.0415 -9.0415 -4.0618 -4.0618 -4.0214 -4.0214 -2.3016 -2.3016 -2.3014 -2.3014 -2.2082 -2.2082 -2.2035 -2.2035 -1.9719 -1.9719 -1.9695 -1.9695 -1.9237 -1.9237 -1.9204 -1.9204 -1.7635 -1.7635 -1.7331 -1.7331 0.7514 0.7514 0.8936 0.8936 3.3605 3.3605 3.6561 3.6561 3.7750 3.7750 4.1932 4.1932 6.4513 6.4513 6.5865 6.5865 6.8876 6.8876 7.8726 7.8726 8.1319 8.1319 k = 0.3750 0.2165-0.0000 ( 6466 PWs) bands (ev): -25.6280 -25.6280 -25.6277 -25.6277 -9.3344 -9.3344 -9.3323 -9.3323 -9.0853 -9.0853 -9.0838 -9.0838 -9.0518 -9.0518 -9.0415 -9.0415 -4.0345 -4.0345 -3.9972 -3.9972 -2.2993 -2.2993 -2.2988 -2.2988 -2.2058 -2.2058 -2.2016 -2.2016 -1.9684 -1.9684 -1.9659 -1.9659 -1.9233 -1.9233 -1.9201 -1.9201 -1.7540 -1.7540 -1.7245 -1.7245 0.6507 0.6507 0.7995 0.7995 3.4147 3.4147 3.6293 3.6293 3.7592 3.7592 4.2079 4.2079 6.4206 6.4206 6.5029 6.5029 6.8775 6.8775 7.7985 7.7985 8.2107 8.2107 k = 0.3875 0.2237-0.0000 ( 6456 PWs) bands (ev): -25.6279 -25.6279 -25.6275 -25.6275 -9.3351 -9.3351 -9.3334 -9.3334 -9.0864 -9.0864 -9.0850 -9.0850 -9.0518 -9.0518 -9.0415 -9.0415 -4.0093 -4.0093 -3.9740 -3.9740 -2.2973 -2.2973 -2.2964 -2.2964 -2.2034 -2.2034 -2.1994 -2.1994 -1.9653 -1.9653 -1.9625 -1.9625 -1.9228 -1.9228 -1.9197 -1.9197 -1.7439 -1.7439 -1.7155 -1.7155 0.5566 0.5566 0.7121 0.7121 3.4598 3.4598 3.6056 3.6056 3.7533 3.7533 4.2207 4.2207 6.3910 6.3910 6.4255 6.4255 6.8678 6.8678 7.7300 7.7300 8.2910 8.2910 k = 0.4000 0.2309-0.0000 ( 6452 PWs) bands (ev): -25.6278 -25.6278 -25.6274 -25.6274 -9.3358 -9.3358 -9.3343 -9.3343 -9.0875 -9.0875 -9.0860 -9.0860 -9.0517 -9.0517 -9.0415 -9.0415 -3.9867 -3.9867 -3.9521 -3.9521 -2.2955 -2.2955 -2.2942 -2.2942 -2.2009 -2.2009 -2.1973 -2.1973 -1.9626 -1.9626 -1.9595 -1.9595 -1.9222 -1.9222 -1.9192 -1.9192 -1.7333 -1.7333 -1.7063 -1.7063 0.4698 0.4698 0.6317 0.6317 3.4905 3.4905 3.5862 3.5862 3.7611 3.7611 4.2307 4.2307 6.3439 6.3439 6.3736 6.3736 6.8587 6.8587 7.6673 7.6673 8.3724 8.3724 k = 0.4125 0.2382-0.0000 ( 6444 PWs) bands (ev): -25.6277 -25.6277 -25.6273 -25.6273 -9.3365 -9.3365 -9.3352 -9.3352 -9.0886 -9.0886 -9.0869 -9.0869 -9.0517 -9.0517 -9.0415 -9.0415 -3.9666 -3.9666 -3.9316 -3.9316 -2.2940 -2.2940 -2.2923 -2.2923 -2.1984 -2.1984 -2.1952 -2.1952 -1.9603 -1.9603 -1.9568 -1.9568 -1.9215 -1.9215 -1.9187 -1.9187 -1.7225 -1.7225 -1.6973 -1.6973 0.3908 0.3908 0.5589 0.5589 3.5036 3.5036 3.5722 3.5722 3.7845 3.7845 4.2375 4.2375 6.2783 6.2783 6.3489 6.3489 6.8503 6.8503 7.6109 7.6109 8.4544 8.4544 k = 0.4250 0.2454-0.0000 ( 6448 PWs) bands (ev): -25.6276 -25.6276 -25.6272 -25.6272 -9.3372 -9.3372 -9.3359 -9.3359 -9.0895 -9.0895 -9.0876 -9.0876 -9.0516 -9.0516 -9.0415 -9.0415 -3.9492 -3.9492 -3.9131 -3.9131 -2.2928 -2.2928 -2.2907 -2.2907 -2.1961 -2.1961 -2.1932 -2.1932 -1.9584 -1.9584 -1.9546 -1.9546 -1.9209 -1.9209 -1.9182 -1.9182 -1.7118 -1.7118 -1.6885 -1.6885 0.3203 0.3203 0.4944 0.4944 3.5024 3.5024 3.5627 3.5627 3.8206 3.8206 4.2405 4.2405 6.2176 6.2176 6.3290 6.3290 6.8428 6.8428 7.5611 7.5611 8.5364 8.5364 k = 0.4375 0.2526-0.0000 ( 6444 PWs) bands (ev): -25.6275 -25.6275 -25.6272 -25.6272 -9.3377 -9.3377 -9.3365 -9.3365 -9.0903 -9.0903 -9.0882 -9.0882 -9.0515 -9.0515 -9.0415 -9.0415 -3.9344 -3.9344 -3.8968 -3.8968 -2.2917 -2.2917 -2.2893 -2.2893 -2.1940 -2.1940 -2.1913 -2.1913 -1.9568 -1.9568 -1.9527 -1.9527 -1.9203 -1.9203 -1.9177 -1.9177 -1.7016 -1.7016 -1.6804 -1.6804 0.2590 0.2590 0.4385 0.4385 3.4945 3.4945 3.5551 3.5551 3.8636 3.8636 4.2392 4.2392 6.1642 6.1642 6.3123 6.3123 6.8362 6.8362 7.5182 7.5182 8.6180 8.6180 k = 0.4500 0.2598-0.0000 ( 6456 PWs) bands (ev): -25.6275 -25.6275 -25.6271 -25.6271 -9.3383 -9.3383 -9.3370 -9.3370 -9.0910 -9.0910 -9.0888 -9.0888 -9.0515 -9.0515 -9.0415 -9.0415 -3.9223 -3.9223 -3.8831 -3.8831 -2.2909 -2.2909 -2.2882 -2.2882 -2.1922 -2.1922 -2.1897 -2.1897 -1.9556 -1.9556 -1.9512 -1.9512 -1.9197 -1.9197 -1.9173 -1.9173 -1.6923 -1.6923 -1.6732 -1.6732 0.2077 0.2077 0.3919 0.3919 3.4852 3.4852 3.5482 3.5482 3.9084 3.9084 4.2338 4.2338 6.1191 6.1191 6.2987 6.2987 6.8308 6.8308 7.4827 7.4827 8.6982 8.6982 k = 0.4625 0.2670-0.0000 ( 6452 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3387 -9.3387 -9.3374 -9.3374 -9.0916 -9.0916 -9.0892 -9.0892 -9.0514 -9.0514 -9.0414 -9.0414 -3.9128 -3.9128 -3.8722 -3.8722 -2.2903 -2.2903 -2.2874 -2.2874 -2.1907 -2.1907 -2.1884 -2.1884 -1.9547 -1.9547 -1.9501 -1.9501 -1.9193 -1.9193 -1.9169 -1.9169 -1.6843 -1.6843 -1.6673 -1.6673 0.1669 0.1669 0.3550 0.3550 3.4769 3.4769 3.5423 3.5423 3.9511 3.9511 4.2246 4.2246 6.0831 6.0831 6.2882 6.2882 6.8264 6.8264 7.4547 7.4547 8.7758 8.7758 k = 0.4750 0.2742-0.0000 ( 6454 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3390 -9.3390 -9.3377 -9.3377 -9.0919 -9.0919 -9.0895 -9.0895 -9.0514 -9.0514 -9.0414 -9.0414 -3.9060 -3.9060 -3.8642 -3.8642 -2.2899 -2.2899 -2.2868 -2.2868 -2.1897 -2.1897 -2.1874 -2.1874 -1.9540 -1.9540 -1.9493 -1.9493 -1.9189 -1.9189 -1.9166 -1.9166 -1.6783 -1.6783 -1.6629 -1.6629 0.1373 0.1373 0.3283 0.3283 3.4706 3.4706 3.5377 3.5377 3.9877 3.9877 4.2133 4.2133 6.0568 6.0568 6.2806 6.2806 6.8233 6.8233 7.4346 7.4346 8.8480 8.8480 k = 0.4875 0.2815-0.0000 ( 6452 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3378 -9.3378 -9.0922 -9.0922 -9.0896 -9.0896 -9.0513 -9.0513 -9.0414 -9.0414 -3.9019 -3.9019 -3.8594 -3.8594 -2.2896 -2.2896 -2.2865 -2.2865 -2.1890 -2.1890 -2.1868 -2.1868 -1.9536 -1.9536 -1.9488 -1.9488 -1.9187 -1.9187 -1.9164 -1.9164 -1.6744 -1.6744 -1.6602 -1.6602 0.1193 0.1193 0.3122 0.3122 3.4667 3.4667 3.5348 3.5348 4.0138 4.0138 4.2029 4.2029 6.0409 6.0409 6.2760 6.2760 6.8214 6.8214 7.4224 7.4224 8.9074 8.9074 k = 0.5000 0.2887-0.0000 ( 6446 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0897 -9.0897 -9.0513 -9.0513 -9.0414 -9.0414 -3.9005 -3.9005 -3.8578 -3.8578 -2.2895 -2.2895 -2.2863 -2.2863 -2.1888 -2.1888 -2.1866 -2.1866 -1.9535 -1.9535 -1.9486 -1.9486 -1.9186 -1.9186 -1.9164 -1.9164 -1.6731 -1.6731 -1.6593 -1.6593 0.1133 0.1133 0.3068 0.3068 3.4653 3.4653 3.5339 3.5339 4.0235 4.0235 4.1985 4.1985 6.0355 6.0355 6.2745 6.2745 6.8208 6.8208 7.4184 7.4184 8.9335 8.9335 k = 0.5000 0.2887-0.0000 ( 6446 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0897 -9.0897 -9.0513 -9.0513 -9.0414 -9.0414 -3.9005 -3.9005 -3.8578 -3.8578 -2.2895 -2.2895 -2.2863 -2.2863 -2.1888 -2.1888 -2.1866 -2.1866 -1.9535 -1.9535 -1.9486 -1.9486 -1.9186 -1.9186 -1.9164 -1.9164 -1.6731 -1.6731 -1.6593 -1.6593 0.1133 0.1133 0.3068 0.3068 3.4653 3.4653 3.5339 3.5339 4.0235 4.0235 4.1985 4.1985 6.0355 6.0355 6.2745 6.2745 6.8208 6.8208 7.4184 7.4184 8.9335 8.9335 k = 0.4931 0.3007-0.0000 ( 6460 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0897 -9.0897 -9.0514 -9.0514 -9.0415 -9.0415 -3.9001 -3.9001 -3.8574 -3.8574 -2.2897 -2.2897 -2.2862 -2.2862 -2.1954 -2.1954 -2.1798 -2.1798 -1.9536 -1.9536 -1.9485 -1.9485 -1.9188 -1.9188 -1.9163 -1.9163 -1.6749 -1.6749 -1.6570 -1.6570 0.1139 0.1139 0.3069 0.3069 3.4565 3.4565 3.5262 3.5262 4.0230 4.0230 4.1988 4.1988 6.0367 6.0367 6.2884 6.2884 6.8322 6.8322 7.4155 7.4155 8.9358 8.9358 k = 0.4861 0.3127-0.0000 ( 6462 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0923 -9.0923 -9.0896 -9.0896 -9.0516 -9.0516 -9.0416 -9.0416 -3.8988 -3.8988 -3.8563 -3.8563 -2.2902 -2.2902 -2.2857 -2.2857 -2.2028 -2.2028 -2.1718 -2.1718 -1.9540 -1.9540 -1.9483 -1.9483 -1.9192 -1.9192 -1.9161 -1.9161 -1.6785 -1.6785 -1.6520 -1.6520 0.1158 0.1158 0.3074 0.3074 3.4303 3.4303 3.5035 3.5035 4.0218 4.0218 4.1997 4.1997 6.0404 6.0404 6.3294 6.3294 6.8660 6.8660 7.4071 7.4071 8.9424 8.9424 k = 0.4792 0.3248-0.0000 ( 6458 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0895 -9.0895 -9.0518 -9.0518 -9.0419 -9.0419 -3.8967 -3.8967 -3.8544 -3.8544 -2.2909 -2.2909 -2.2851 -2.2851 -2.2099 -2.2099 -2.1636 -2.1636 -1.9545 -1.9545 -1.9478 -1.9478 -1.9198 -1.9198 -1.9159 -1.9159 -1.6823 -1.6823 -1.6457 -1.6457 0.1189 0.1189 0.3083 0.3083 3.3877 3.3877 3.4667 3.4667 4.0210 4.0210 4.2014 4.2014 6.0464 6.0464 6.3955 6.3955 6.9210 6.9210 7.3932 7.3932 8.9535 8.9535 k = 0.4722 0.3368-0.0000 ( 6458 PWs) bands (ev): -25.6273 -25.6273 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0894 -9.0894 -9.0522 -9.0522 -9.0422 -9.0422 -3.8938 -3.8938 -3.8518 -3.8518 -2.2917 -2.2917 -2.2845 -2.2845 -2.2168 -2.2168 -2.1553 -2.1553 -1.9551 -1.9551 -1.9474 -1.9474 -1.9205 -1.9205 -1.9158 -1.9158 -1.6858 -1.6858 -1.6388 -1.6388 0.1232 0.1232 0.3094 0.3094 3.3300 3.3300 3.4178 3.4178 4.0214 4.0214 4.2042 4.2042 6.0547 6.0547 6.4838 6.4838 6.9957 6.9957 7.3743 7.3743 8.9691 8.9691 k = 0.4653 0.3488-0.0000 ( 6440 PWs) bands (ev): -25.6273 -25.6273 -25.6269 -25.6269 -9.3391 -9.3391 -9.3379 -9.3379 -9.0922 -9.0922 -9.0892 -9.0892 -9.0527 -9.0527 -9.0425 -9.0425 -3.8902 -3.8902 -3.8485 -3.8485 -2.2924 -2.2924 -2.2839 -2.2839 -2.2234 -2.2234 -2.1469 -2.1469 -1.9558 -1.9558 -1.9469 -1.9469 -1.9213 -1.9213 -1.9157 -1.9157 -1.6889 -1.6889 -1.6313 -1.6313 0.1286 0.1286 0.3107 0.3107 3.2591 3.2591 3.3588 3.3588 4.0236 4.0236 4.2081 4.2081 6.0651 6.0651 6.5912 6.5912 7.0878 7.0878 7.3509 7.3509 8.9891 8.9891 k = 0.4583 0.3608-0.0000 ( 6444 PWs) bands (ev): -25.6273 -25.6273 -25.6269 -25.6269 -9.3391 -9.3391 -9.3379 -9.3379 -9.0922 -9.0922 -9.0891 -9.0891 -9.0532 -9.0532 -9.0430 -9.0430 -3.8858 -3.8858 -3.8446 -3.8446 -2.2932 -2.2932 -2.2833 -2.2833 -2.2296 -2.2296 -2.1384 -2.1384 -1.9566 -1.9566 -1.9464 -1.9464 -1.9221 -1.9221 -1.9157 -1.9157 -1.6915 -1.6915 -1.6235 -1.6235 0.1350 0.1350 0.3123 0.3123 3.1776 3.1776 3.2921 3.2921 4.0278 4.0278 4.2134 4.2134 6.0777 6.0777 6.7142 6.7142 7.1939 7.1939 7.3250 7.3250 9.0137 9.0137 k = 0.4514 0.3729-0.0000 ( 6446 PWs) bands (ev): -25.6273 -25.6273 -25.6269 -25.6269 -9.3391 -9.3391 -9.3379 -9.3379 -9.0922 -9.0922 -9.0888 -9.0888 -9.0539 -9.0539 -9.0435 -9.0435 -3.8808 -3.8808 -3.8400 -3.8400 -2.2939 -2.2939 -2.2828 -2.2828 -2.2356 -2.2356 -2.1299 -2.1299 -1.9574 -1.9574 -1.9459 -1.9459 -1.9230 -1.9230 -1.9158 -1.9158 -1.6936 -1.6936 -1.6152 -1.6152 0.1423 0.1423 0.3140 0.3140 3.0879 3.0879 3.2199 3.2199 4.0342 4.0342 4.2200 4.2200 6.0923 6.0923 6.8494 6.8494 7.2753 7.2753 7.3339 7.3339 9.0430 9.0430 k = 0.4444 0.3849-0.0000 ( 6446 PWs) bands (ev): -25.6272 -25.6272 -25.6269 -25.6269 -9.3390 -9.3390 -9.3379 -9.3379 -9.0922 -9.0922 -9.0886 -9.0886 -9.0546 -9.0546 -9.0441 -9.0441 -3.8751 -3.8751 -3.8349 -3.8349 -2.2947 -2.2947 -2.2823 -2.2823 -2.2411 -2.2411 -2.1213 -2.1213 -1.9582 -1.9582 -1.9455 -1.9455 -1.9238 -1.9238 -1.9160 -1.9160 -1.6952 -1.6952 -1.6067 -1.6067 0.1502 0.1502 0.3159 0.3159 2.9926 2.9926 3.1439 3.1439 4.0425 4.0425 4.2279 4.2279 6.1088 6.1088 6.9922 6.9922 7.2527 7.2527 7.4570 7.4570 9.0769 9.0769 k = 0.4375 0.3969-0.0000 ( 6444 PWs) bands (ev): -25.6272 -25.6272 -25.6268 -25.6268 -9.3390 -9.3390 -9.3379 -9.3379 -9.0923 -9.0923 -9.0883 -9.0883 -9.0553 -9.0553 -9.0447 -9.0447 -3.8690 -3.8690 -3.8293 -3.8293 -2.2954 -2.2954 -2.2820 -2.2820 -2.2463 -2.2463 -2.1128 -2.1128 -1.9590 -1.9590 -1.9451 -1.9451 -1.9247 -1.9247 -1.9163 -1.9163 -1.6963 -1.6963 -1.5980 -1.5980 0.1585 0.1585 0.3178 0.3178 2.8939 2.8939 3.0658 3.0658 4.0526 4.0526 4.2369 4.2369 6.1270 6.1270 7.1240 7.1240 7.2369 7.2369 7.5982 7.5982 9.1155 9.1155 k = 0.4306 0.4090-0.0000 ( 6460 PWs) bands (ev): -25.6272 -25.6272 -25.6268 -25.6268 -9.3390 -9.3390 -9.3379 -9.3379 -9.0923 -9.0923 -9.0880 -9.0880 -9.0561 -9.0561 -9.0454 -9.0454 -3.8624 -3.8624 -3.8232 -3.8232 -2.2960 -2.2960 -2.2817 -2.2817 -2.2511 -2.2511 -2.1043 -2.1043 -1.9598 -1.9598 -1.9447 -1.9447 -1.9255 -1.9255 -1.9168 -1.9168 -1.6969 -1.6969 -1.5890 -1.5890 0.1671 0.1671 0.3197 0.3197 2.7939 2.7939 2.9872 2.9872 4.0643 4.0643 4.2469 4.2469 6.1469 6.1469 7.1446 7.1446 7.3345 7.3345 7.7474 7.7474 9.1583 9.1583 k = 0.4236 0.4210-0.0000 ( 6466 PWs) bands (ev): -25.6272 -25.6272 -25.6268 -25.6268 -9.3390 -9.3390 -9.3380 -9.3380 -9.0924 -9.0924 -9.0877 -9.0877 -9.0569 -9.0569 -9.0460 -9.0460 -3.8555 -3.8555 -3.8168 -3.8168 -2.2967 -2.2967 -2.2816 -2.2816 -2.2554 -2.2554 -2.0959 -2.0959 -1.9606 -1.9606 -1.9444 -1.9444 -1.9264 -1.9264 -1.9172 -1.9172 -1.6970 -1.6970 -1.5799 -1.5799 0.1756 0.1756 0.3216 0.3216 2.6943 2.6943 2.9094 2.9094 4.0774 4.0774 4.2576 4.2576 6.1682 6.1682 7.1074 7.1074 7.4908 7.4908 7.9016 7.9016 9.1895 9.1895 k = 0.4167 0.4330-0.0000 ( 6465 PWs) bands (ev): -25.6271 -25.6271 -25.6267 -25.6267 -9.3390 -9.3390 -9.3380 -9.3380 -9.0925 -9.0925 -9.0874 -9.0874 -9.0578 -9.0578 -9.0467 -9.0467 -3.8484 -3.8484 -3.8101 -3.8101 -2.2973 -2.2973 -2.2816 -2.2816 -2.2592 -2.2592 -2.0876 -2.0876 -1.9615 -1.9615 -1.9441 -1.9441 -1.9271 -1.9271 -1.9178 -1.9178 -1.6966 -1.6966 -1.5708 -1.5708 0.1837 0.1837 0.3235 0.3235 2.5966 2.5966 2.8336 2.8336 4.0919 4.0919 4.2687 4.2687 6.1909 6.1909 7.0626 7.0626 7.6543 7.6543 8.0579 8.0579 9.2071 9.2071 k = 0.4097 0.4450-0.0000 ( 6467 PWs) bands (ev): -25.6271 -25.6271 -25.6267 -25.6267 -9.3390 -9.3390 -9.3381 -9.3381 -9.0926 -9.0926 -9.0871 -9.0871 -9.0586 -9.0586 -9.0473 -9.0473 -3.8411 -3.8411 -3.8032 -3.8032 -2.2978 -2.2978 -2.2817 -2.2817 -2.2626 -2.2626 -2.0796 -2.0796 -1.9623 -1.9623 -1.9439 -1.9439 -1.9278 -1.9278 -1.9183 -1.9183 -1.6958 -1.6958 -1.5617 -1.5617 0.1911 0.1911 0.3253 0.3253 2.5022 2.5022 2.7608 2.7608 4.1075 4.1075 4.2800 4.2800 6.2146 6.2146 7.0151 7.0151 7.8182 7.8182 8.2128 8.2128 9.2306 9.2306 k = 0.4028 0.4571-0.0000 ( 6463 PWs) bands (ev): -25.6270 -25.6270 -25.6267 -25.6267 -9.3389 -9.3389 -9.3381 -9.3381 -9.0927 -9.0927 -9.0868 -9.0868 -9.0595 -9.0595 -9.0479 -9.0479 -3.8338 -3.8338 -3.7962 -3.7962 -2.2983 -2.2983 -2.2820 -2.2820 -2.2654 -2.2654 -2.0718 -2.0718 -1.9631 -1.9631 -1.9437 -1.9437 -1.9285 -1.9285 -1.9190 -1.9190 -1.6947 -1.6947 -1.5527 -1.5527 0.1973 0.1973 0.3271 0.3271 2.4121 2.4121 2.6920 2.6920 4.1241 4.1241 4.2912 4.2912 6.2393 6.2393 6.9661 6.9661 7.9792 7.9792 8.3616 8.3616 9.1829 9.1829 k = 0.3958 0.4691-0.0000 ( 6465 PWs) bands (ev): -25.6270 -25.6270 -25.6266 -25.6266 -9.3390 -9.3390 -9.3382 -9.3382 -9.0928 -9.0928 -9.0866 -9.0866 -9.0602 -9.0602 -9.0485 -9.0485 -3.8267 -3.8267 -3.7892 -3.7892 -2.2987 -2.2987 -2.2825 -2.2825 -2.2677 -2.2677 -2.0643 -2.0643 -1.9639 -1.9639 -1.9436 -1.9436 -1.9291 -1.9291 -1.9196 -1.9196 -1.6932 -1.6932 -1.5438 -1.5438 0.2022 0.2022 0.3287 0.3287 2.3275 2.3275 2.6280 2.6280 4.1415 4.1415 4.3019 4.3019 6.2647 6.2647 6.9164 6.9164 8.1340 8.1340 8.4984 8.4984 9.0979 9.0979 k = 0.3889 0.4811-0.0000 ( 6469 PWs) bands (ev): -25.6270 -25.6270 -25.6266 -25.6266 -9.3390 -9.3390 -9.3382 -9.3382 -9.0930 -9.0930 -9.0863 -9.0863 -9.0610 -9.0610 -9.0491 -9.0491 -3.8198 -3.8198 -3.7824 -3.7824 -2.2991 -2.2991 -2.2832 -2.2832 -2.2695 -2.2695 -2.0572 -2.0572 -1.9647 -1.9647 -1.9435 -1.9435 -1.9296 -1.9296 -1.9203 -1.9203 -1.6914 -1.6914 -1.5353 -1.5353 0.2054 0.2054 0.3303 0.3303 2.2494 2.2494 2.5695 2.5695 4.1596 4.1596 4.3118 4.3118 6.2907 6.2907 6.8666 6.8666 8.2793 8.2793 8.6163 8.6163 9.0197 9.0197 k = 0.3819 0.4932-0.0000 ( 6475 PWs) bands (ev): -25.6270 -25.6270 -25.6266 -25.6266 -9.3390 -9.3390 -9.3383 -9.3383 -9.0931 -9.0931 -9.0861 -9.0861 -9.0616 -9.0616 -9.0496 -9.0496 -3.8133 -3.8133 -3.7759 -3.7759 -2.2994 -2.2994 -2.2839 -2.2839 -2.2709 -2.2709 -2.0507 -2.0507 -1.9654 -1.9654 -1.9434 -1.9434 -1.9300 -1.9300 -1.9209 -1.9209 -1.6894 -1.6894 -1.5272 -1.5272 0.2069 0.2069 0.3316 0.3316 2.1787 2.1787 2.5170 2.5170 4.1782 4.1782 4.3203 4.3203 6.3172 6.3172 6.8171 6.8171 8.4116 8.4116 8.7103 8.7103 8.9492 8.9492 k = 0.3750 0.5052-0.0000 ( 6467 PWs) bands (ev): -25.6269 -25.6269 -25.6265 -25.6265 -9.3390 -9.3390 -9.3383 -9.3383 -9.0933 -9.0933 -9.0859 -9.0859 -9.0622 -9.0622 -9.0500 -9.0500 -3.8072 -3.8072 -3.7698 -3.7698 -2.2997 -2.2997 -2.2846 -2.2846 -2.2719 -2.2719 -2.0447 -2.0447 -1.9660 -1.9660 -1.9434 -1.9434 -1.9304 -1.9304 -1.9215 -1.9215 -1.6873 -1.6873 -1.5196 -1.5196 0.2067 0.2067 0.3325 0.3325 2.1163 2.1163 2.4710 2.4710 4.1972 4.1972 4.3271 4.3271 6.3440 6.3440 6.7685 6.7685 8.5275 8.5275 8.7802 8.7802 8.8870 8.8870 k = 0.3681 0.5172-0.0000 ( 6471 PWs) bands (ev): -25.6269 -25.6269 -25.6265 -25.6265 -9.3391 -9.3391 -9.3384 -9.3384 -9.0935 -9.0935 -9.0858 -9.0858 -9.0627 -9.0627 -9.0503 -9.0503 -3.8018 -3.8018 -3.7642 -3.7642 -2.2999 -2.2999 -2.2852 -2.2852 -2.2728 -2.2728 -2.0394 -2.0394 -1.9665 -1.9665 -1.9434 -1.9434 -1.9307 -1.9307 -1.9221 -1.9221 -1.6852 -1.6852 -1.5127 -1.5127 0.2051 0.2051 0.3328 0.3328 2.0627 2.0627 2.4319 2.4319 4.2162 4.2162 4.3318 4.3318 6.3713 6.3713 6.7211 6.7211 8.6242 8.6242 8.8294 8.8294 8.8346 8.8346 k = 0.3611 0.5292-0.0000 ( 6463 PWs) bands (ev): -25.6269 -25.6269 -25.6265 -25.6265 -9.3391 -9.3391 -9.3384 -9.3384 -9.0936 -9.0936 -9.0857 -9.0857 -9.0631 -9.0631 -9.0506 -9.0506 -3.7970 -3.7970 -3.7593 -3.7593 -2.3001 -2.3001 -2.2857 -2.2857 -2.2734 -2.2734 -2.0350 -2.0350 -1.9670 -1.9670 -1.9434 -1.9434 -1.9309 -1.9309 -1.9226 -1.9226 -1.6831 -1.6831 -1.5067 -1.5067 0.2025 0.2025 0.3326 0.3326 2.0186 2.0186 2.3999 2.3999 4.2351 4.2351 4.3338 4.3338 6.3990 6.3990 6.6754 6.6754 8.6998 8.6998 8.7895 8.7895 8.8668 8.8668 k = 0.3542 0.5413-0.0000 ( 6459 PWs) bands (ev): -25.6269 -25.6269 -25.6264 -25.6264 -9.3392 -9.3392 -9.3385 -9.3385 -9.0938 -9.0938 -9.0856 -9.0856 -9.0634 -9.0634 -9.0509 -9.0509 -3.7932 -3.7932 -3.7552 -3.7552 -2.3002 -2.3002 -2.2860 -2.2860 -2.2740 -2.2740 -2.0314 -2.0314 -1.9673 -1.9673 -1.9434 -1.9434 -1.9311 -1.9311 -1.9230 -1.9230 -1.6813 -1.6813 -1.5017 -1.5017 0.1993 0.1993 0.3318 0.3318 1.9843 1.9843 2.3751 2.3751 4.2535 4.2535 4.3328 4.3328 6.4273 6.4273 6.6319 6.6319 8.7510 8.7510 8.7579 8.7579 8.8943 8.8943 k = 0.3472 0.5533-0.0000 ( 6451 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3385 -9.3385 -9.0938 -9.0938 -9.0856 -9.0856 -9.0636 -9.0636 -9.0510 -9.0510 -3.7903 -3.7903 -3.7521 -3.7521 -2.3003 -2.3003 -2.2861 -2.2861 -2.2744 -2.2744 -2.0288 -2.0288 -1.9674 -1.9674 -1.9434 -1.9434 -1.9312 -1.9312 -1.9233 -1.9233 -1.6798 -1.6798 -1.4979 -1.4979 0.1962 0.1962 0.3306 0.3306 1.9599 1.9599 2.3576 2.3576 4.2712 4.2712 4.3284 4.3284 6.4564 6.4564 6.5909 6.5909 8.7300 8.7300 8.7884 8.7884 8.9149 8.9149 k = 0.3403 0.5653-0.0000 ( 6459 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3385 -9.3385 -9.0939 -9.0939 -9.0855 -9.0855 -9.0638 -9.0638 -9.0511 -9.0511 -3.7885 -3.7885 -3.7502 -3.7502 -2.3003 -2.3003 -2.2862 -2.2862 -2.2746 -2.2746 -2.0272 -2.0272 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6789 -1.6789 -1.4956 -1.4956 0.1939 0.1939 0.3295 0.3295 1.9455 1.9455 2.3472 2.3472 4.2874 4.2874 4.3207 4.3207 6.4866 6.4866 6.5529 6.5529 8.7154 8.7154 8.8061 8.8061 8.9281 8.9281 k = 0.3333 0.5774-0.0000 ( 6459 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3386 -9.3386 -9.0939 -9.0939 -9.0855 -9.0855 -9.0638 -9.0638 -9.0511 -9.0511 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6785 -1.6785 -1.4947 -1.4947 0.1929 0.1929 0.3289 0.3289 1.9408 1.9408 2.3438 2.3438 4.2973 4.2973 4.3137 4.3137 6.5170 6.5170 6.5197 6.5197 8.7105 8.7105 8.8114 8.8114 8.9327 8.9327 k = 0.3333 0.5774-0.0000 ( 6459 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3386 -9.3386 -9.0939 -9.0939 -9.0855 -9.0855 -9.0638 -9.0638 -9.0511 -9.0511 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6785 -1.6785 -1.4947 -1.4947 0.1929 0.1929 0.3289 0.3289 1.9408 1.9408 2.3438 2.3438 4.2973 4.2973 4.3137 4.3137 6.5170 6.5170 6.5197 6.5197 8.7105 8.7105 8.8114 8.8114 8.9327 8.9327 k = 0.3262 0.5651-0.0000 ( 6459 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3385 -9.3385 -9.0939 -9.0939 -9.0855 -9.0855 -9.0638 -9.0638 -9.0511 -9.0511 -3.7885 -3.7885 -3.7502 -3.7502 -2.3003 -2.3003 -2.2862 -2.2862 -2.2746 -2.2746 -2.0272 -2.0272 -1.9676 -1.9676 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6789 -1.6789 -1.4956 -1.4956 0.1942 0.1942 0.3297 0.3297 1.9456 1.9456 2.3472 2.3472 4.2855 4.2855 4.3222 4.3222 6.4871 6.4871 6.5529 6.5529 8.7155 8.7155 8.8065 8.8065 8.9282 8.9282 k = 0.3191 0.5528-0.0000 ( 6465 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3385 -9.3385 -9.0938 -9.0938 -9.0855 -9.0855 -9.0637 -9.0637 -9.0510 -9.0510 -3.7907 -3.7907 -3.7526 -3.7526 -2.3003 -2.3003 -2.2864 -2.2864 -2.2742 -2.2742 -2.0288 -2.0288 -1.9676 -1.9676 -1.9434 -1.9434 -1.9312 -1.9312 -1.9233 -1.9233 -1.6802 -1.6802 -1.4985 -1.4985 0.1983 0.1983 0.3327 0.3327 1.9595 1.9595 2.3575 2.3575 4.2635 4.2635 4.3342 4.3342 6.4603 6.4603 6.5898 6.5898 8.7301 8.7301 8.7919 8.7919 8.9157 8.9157 k = 0.3121 0.5405-0.0000 ( 6457 PWs) bands (ev): -25.6268 -25.6268 -25.6265 -25.6265 -9.3391 -9.3391 -9.3385 -9.3385 -9.0936 -9.0936 -9.0855 -9.0855 -9.0635 -9.0635 -9.0509 -9.0509 -3.7943 -3.7943 -3.7567 -3.7567 -2.3002 -2.3002 -2.2868 -2.2868 -2.2734 -2.2734 -2.0314 -2.0314 -1.9679 -1.9679 -1.9434 -1.9434 -1.9311 -1.9311 -1.9230 -1.9230 -1.6825 -1.6825 -1.5033 -1.5033 0.2062 0.2062 0.3388 0.3388 1.9819 1.9819 2.3742 2.3742 4.2357 4.2357 4.3446 4.3446 6.4385 6.4385 6.6298 6.6298 8.7535 8.7535 8.7681 8.7681 8.8974 8.8974 k = 0.3050 0.5282-0.0000 ( 6469 PWs) bands (ev): -25.6269 -25.6269 -25.6265 -25.6265 -9.3390 -9.3390 -9.3384 -9.3384 -9.0934 -9.0934 -9.0854 -9.0854 -9.0633 -9.0633 -9.0507 -9.0507 -3.7995 -3.7995 -3.7626 -3.7626 -2.3002 -2.3002 -2.2875 -2.2875 -2.2722 -2.2722 -2.0349 -2.0349 -1.9683 -1.9683 -1.9435 -1.9435 -1.9310 -1.9310 -1.9227 -1.9227 -1.6858 -1.6858 -1.5102 -1.5102 0.2183 0.2183 0.3487 0.3487 2.0120 2.0120 2.3970 2.3970 4.2027 4.2027 4.3528 4.3528 6.4219 6.4219 6.6731 6.6731 8.7328 8.7328 8.7872 8.7872 8.8755 8.8755 k = 0.2979 0.5159-0.0000 ( 6469 PWs) bands (ev): -25.6269 -25.6269 -25.6265 -25.6265 -9.3388 -9.3388 -9.3382 -9.3382 -9.0931 -9.0931 -9.0853 -9.0853 -9.0630 -9.0630 -9.0505 -9.0505 -3.8064 -3.8064 -3.7704 -3.7704 -2.3001 -2.3001 -2.2884 -2.2884 -2.2708 -2.2708 -2.0393 -2.0393 -1.9689 -1.9689 -1.9436 -1.9436 -1.9308 -1.9308 -1.9224 -1.9224 -1.6900 -1.6900 -1.5190 -1.5190 0.2353 0.2353 0.3631 0.3631 2.0493 2.0493 2.4255 2.4255 4.1646 4.1646 4.3584 4.3584 6.4110 6.4110 6.7203 6.7203 8.6889 8.6889 8.8277 8.8277 8.8513 8.8513 k = 0.2908 0.5036-0.0000 ( 6465 PWs) bands (ev): -25.6270 -25.6270 -25.6266 -25.6266 -9.3386 -9.3386 -9.3380 -9.3380 -9.0927 -9.0927 -9.0852 -9.0852 -9.0627 -9.0627 -9.0502 -9.0502 -3.8150 -3.8150 -3.7802 -3.7802 -2.3001 -2.3001 -2.2895 -2.2895 -2.2691 -2.2691 -2.0445 -2.0445 -1.9698 -1.9698 -1.9437 -1.9437 -1.9307 -1.9307 -1.9221 -1.9221 -1.6952 -1.6952 -1.5297 -1.5297 0.2576 0.2576 0.3827 0.3827 2.0931 2.0931 2.4594 2.4594 4.1219 4.1219 4.3610 4.3610 6.4060 6.4060 6.7714 6.7714 8.6365 8.6365 8.8242 8.8242 8.8765 8.8765 k = 0.2837 0.4914-0.0000 ( 6465 PWs) bands (ev): -25.6270 -25.6270 -25.6266 -25.6266 -9.3383 -9.3383 -9.3378 -9.3378 -9.0922 -9.0922 -9.0850 -9.0850 -9.0624 -9.0624 -9.0499 -9.0499 -3.8253 -3.8253 -3.7919 -3.7919 -2.3000 -2.3000 -2.2909 -2.2909 -2.2672 -2.2672 -2.0506 -2.0506 -1.9710 -1.9710 -1.9440 -1.9440 -1.9305 -1.9305 -1.9218 -1.9218 -1.7012 -1.7012 -1.5421 -1.5421 0.2856 0.2856 0.4079 0.4079 2.1427 2.1427 2.4985 2.4985 4.0748 4.0748 4.3607 4.3607 6.4072 6.4072 6.8268 6.8268 8.5774 8.5774 8.7952 8.7952 8.9315 8.9315 k = 0.2766 0.4791-0.0000 ( 6461 PWs) bands (ev): -25.6271 -25.6271 -25.6267 -25.6267 -9.3380 -9.3380 -9.3375 -9.3375 -9.0915 -9.0915 -9.0847 -9.0847 -9.0621 -9.0621 -9.0496 -9.0496 -3.8374 -3.8374 -3.8057 -3.8057 -2.3000 -2.3000 -2.2924 -2.2924 -2.2652 -2.2652 -2.0575 -2.0575 -1.9723 -1.9723 -1.9443 -1.9443 -1.9302 -1.9302 -1.9215 -1.9215 -1.7079 -1.7079 -1.5561 -1.5561 0.3196 0.3196 0.4390 0.4390 2.1975 2.1975 2.5422 2.5422 4.0236 4.0236 4.3573 4.3573 6.4147 6.4147 6.8866 6.8866 8.5131 8.5131 8.7631 8.7631 8.9929 8.9929 k = 0.2695 0.4668-0.0000 ( 6463 PWs) bands (ev): -25.6271 -25.6271 -25.6268 -25.6268 -9.3376 -9.3376 -9.3371 -9.3371 -9.0909 -9.0909 -9.0844 -9.0844 -9.0617 -9.0617 -9.0493 -9.0493 -3.8514 -3.8514 -3.8215 -3.8215 -2.3001 -2.3001 -2.2940 -2.2940 -2.2630 -2.2630 -2.0651 -2.0651 -1.9739 -1.9739 -1.9448 -1.9448 -1.9300 -1.9300 -1.9214 -1.9214 -1.7151 -1.7151 -1.5712 -1.5712 0.3597 0.3597 0.4762 0.4762 2.2570 2.2570 2.5904 2.5904 3.9689 3.9689 4.3507 4.3507 6.4286 6.4286 6.9507 6.9507 8.4447 8.4447 8.7279 8.7279 9.0597 9.0597 k = 0.2624 0.4545-0.0000 ( 6445 PWs) bands (ev): -25.6272 -25.6272 -25.6268 -25.6268 -9.3372 -9.3372 -9.3367 -9.3367 -9.0900 -9.0900 -9.0840 -9.0840 -9.0613 -9.0613 -9.0489 -9.0489 -3.8672 -3.8672 -3.8391 -3.8391 -2.3002 -2.3002 -2.2958 -2.2958 -2.2608 -2.2608 -2.0734 -2.0734 -1.9756 -1.9756 -1.9454 -1.9454 -1.9297 -1.9297 -1.9213 -1.9213 -1.7226 -1.7226 -1.5873 -1.5873 0.4060 0.4060 0.5196 0.5196 2.3207 2.3207 2.6427 2.6427 3.9110 3.9110 4.3411 4.3411 6.4488 6.4488 7.0191 7.0191 8.3736 8.3736 8.6893 8.6893 9.1314 9.1314 k = 0.2553 0.4422-0.0000 ( 6445 PWs) bands (ev): -25.6273 -25.6273 -25.6269 -25.6269 -9.3367 -9.3367 -9.3361 -9.3361 -9.0891 -9.0891 -9.0835 -9.0835 -9.0609 -9.0609 -9.0485 -9.0485 -3.8849 -3.8849 -3.8585 -3.8585 -2.3004 -2.3004 -2.2978 -2.2978 -2.2585 -2.2585 -2.0822 -2.0822 -1.9775 -1.9775 -1.9462 -1.9462 -1.9295 -1.9295 -1.9213 -1.9213 -1.7303 -1.7303 -1.6040 -1.6040 0.4584 0.4584 0.5693 0.5693 2.3881 2.3881 2.6988 2.6988 3.8505 3.8505 4.3287 4.3287 6.4754 6.4754 7.0917 7.0917 8.3004 8.3004 8.6474 8.6474 9.2074 9.2074 k = 0.2482 0.4299-0.0000 ( 6441 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3362 -9.3362 -9.3355 -9.3355 -9.0881 -9.0881 -9.0830 -9.0830 -9.0605 -9.0605 -9.0482 -9.0482 -3.9046 -3.9046 -3.8794 -3.8794 -2.3008 -2.3008 -2.2997 -2.2997 -2.2563 -2.2563 -2.0915 -2.0915 -1.9796 -1.9796 -1.9472 -1.9472 -1.9292 -1.9292 -1.9213 -1.9213 -1.7380 -1.7380 -1.6210 -1.6210 0.5170 0.5170 0.6251 0.6251 2.4588 2.4588 2.7586 2.7586 3.7879 3.7879 4.3135 4.3135 6.5082 6.5082 7.1684 7.1684 8.2258 8.2258 8.6023 8.6023 9.1733 9.1733 k = 0.2411 0.4177-0.0000 ( 6441 PWs) bands (ev): -25.6275 -25.6275 -25.6271 -25.6271 -9.3357 -9.3357 -9.3347 -9.3347 -9.0870 -9.0870 -9.0824 -9.0824 -9.0601 -9.0601 -9.0478 -9.0478 -3.9263 -3.9263 -3.9017 -3.9017 -2.3021 -2.3021 -2.3009 -2.3009 -2.2540 -2.2540 -2.1012 -2.1012 -1.9819 -1.9819 -1.9485 -1.9485 -1.9289 -1.9289 -1.9214 -1.9214 -1.7455 -1.7455 -1.6380 -1.6380 0.5816 0.5816 0.6870 0.6870 2.5324 2.5324 2.8216 2.8216 3.7237 3.7237 4.2959 4.2959 6.5469 6.5469 7.2490 7.2490 8.1505 8.1505 8.5544 8.5544 9.0783 9.0783 k = 0.2340 0.4054-0.0000 ( 6461 PWs) bands (ev): -25.6276 -25.6276 -25.6272 -25.6272 -9.3352 -9.3352 -9.3339 -9.3339 -9.0858 -9.0858 -9.0819 -9.0819 -9.0596 -9.0596 -9.0474 -9.0474 -3.9501 -3.9501 -3.9250 -3.9250 -2.3044 -2.3044 -2.3015 -2.3015 -2.2519 -2.2519 -2.1111 -2.1111 -1.9844 -1.9844 -1.9501 -1.9501 -1.9286 -1.9286 -1.9216 -1.9216 -1.7529 -1.7529 -1.6548 -1.6548 0.6520 0.6520 0.7548 0.7548 2.6083 2.6083 2.8878 2.8878 3.6584 3.6584 4.2761 4.2761 6.5914 6.5914 7.3331 7.3331 8.0750 8.0750 8.5040 8.5040 8.9852 8.9852 k = 0.2270 0.3931-0.0000 ( 6459 PWs) bands (ev): -25.6278 -25.6278 -25.6274 -25.6274 -9.3346 -9.3346 -9.3330 -9.3330 -9.0845 -9.0845 -9.0812 -9.0812 -9.0591 -9.0591 -9.0470 -9.0470 -3.9760 -3.9760 -3.9491 -3.9491 -2.3067 -2.3067 -2.3022 -2.3022 -2.2497 -2.2497 -2.1211 -2.1211 -1.9869 -1.9869 -1.9521 -1.9521 -1.9283 -1.9283 -1.9217 -1.9217 -1.7599 -1.7599 -1.6710 -1.6710 0.7281 0.7281 0.8283 0.8283 2.6862 2.6862 2.9568 2.9568 3.5925 3.5925 4.2544 4.2544 6.6413 6.6413 7.4205 7.4205 7.9996 7.9996 8.4514 8.4514 8.8943 8.8943 k = 0.2199 0.3808-0.0000 ( 6457 PWs) bands (ev): -25.6279 -25.6279 -25.6275 -25.6275 -9.3339 -9.3339 -9.3320 -9.3320 -9.0831 -9.0831 -9.0806 -9.0806 -9.0586 -9.0586 -9.0466 -9.0466 -4.0039 -4.0039 -3.9739 -3.9739 -2.3091 -2.3091 -2.3031 -2.3031 -2.2475 -2.2475 -2.1309 -2.1309 -1.9895 -1.9895 -1.9544 -1.9544 -1.9279 -1.9279 -1.9219 -1.9219 -1.7666 -1.7666 -1.6865 -1.6865 0.8096 0.8096 0.9073 0.9073 2.7653 2.7653 3.0285 3.0285 3.5268 3.5268 4.2312 4.2312 6.6966 6.6966 7.5105 7.5105 7.9249 7.9249 8.3971 8.3971 8.8054 8.8054 k = 0.2128 0.3685-0.0000 ( 6465 PWs) bands (ev): -25.6280 -25.6280 -25.6276 -25.6276 -9.3333 -9.3333 -9.3309 -9.3309 -9.0817 -9.0817 -9.0799 -9.0799 -9.0580 -9.0580 -9.0462 -9.0462 -4.0335 -4.0335 -3.9992 -3.9992 -2.3116 -2.3116 -2.3041 -2.3041 -2.2454 -2.2454 -2.1405 -2.1405 -1.9923 -1.9923 -1.9572 -1.9572 -1.9276 -1.9276 -1.9220 -1.9220 -1.7729 -1.7729 -1.7011 -1.7011 0.8964 0.8964 0.9918 0.9918 2.8448 2.8448 3.1024 3.1024 3.4622 3.4622 4.2068 4.2068 6.7568 6.7568 7.6016 7.6016 7.8523 7.8523 8.3416 8.3416 8.7187 8.7187 k = 0.2057 0.3562-0.0000 ( 6453 PWs) bands (ev): -25.6282 -25.6282 -25.6278 -25.6278 -9.3326 -9.3326 -9.3298 -9.3298 -9.0802 -9.0802 -9.0791 -9.0791 -9.0574 -9.0574 -9.0459 -9.0459 -4.0645 -4.0645 -4.0252 -4.0252 -2.3141 -2.3141 -2.3054 -2.3054 -2.2434 -2.2434 -2.1497 -2.1497 -1.9952 -1.9952 -1.9603 -1.9603 -1.9271 -1.9271 -1.9221 -1.9221 -1.7789 -1.7789 -1.7146 -1.7146 0.9883 0.9883 1.0814 1.0814 2.9230 2.9230 3.1785 3.1785 3.4003 3.4003 4.1816 4.1816 6.8217 6.8217 7.6848 7.6848 7.7903 7.7903 8.2858 8.2858 8.6341 8.6341 k = 0.1986 0.3440-0.0000 ( 6451 PWs) bands (ev): -25.6283 -25.6283 -25.6279 -25.6279 -9.3318 -9.3318 -9.3286 -9.3286 -9.0790 -9.0790 -9.0780 -9.0780 -9.0566 -9.0566 -9.0455 -9.0455 -4.0968 -4.0968 -4.0516 -4.0516 -2.3167 -2.3167 -2.3070 -2.3070 -2.2414 -2.2414 -2.1584 -2.1584 -1.9981 -1.9981 -1.9639 -1.9639 -1.9267 -1.9267 -1.9222 -1.9222 -1.7845 -1.7845 -1.7269 -1.7269 1.0851 1.0851 1.1761 1.1761 2.9963 2.9963 3.2563 3.2563 3.3449 3.3449 4.1558 4.1558 6.8911 6.8911 7.6825 7.6825 7.8151 7.8151 8.2308 8.2308 8.5515 8.5515 k = 0.1915 0.3317-0.0000 ( 6443 PWs) bands (ev): -25.6285 -25.6285 -25.6281 -25.6281 -9.3311 -9.3311 -9.3273 -9.3273 -9.0782 -9.0782 -9.0764 -9.0764 -9.0558 -9.0558 -9.0451 -9.0451 -4.1300 -4.1300 -4.0783 -4.0783 -2.3192 -2.3192 -2.3088 -2.3088 -2.2394 -2.2394 -2.1665 -2.1665 -2.0011 -2.0011 -1.9679 -1.9679 -1.9262 -1.9262 -1.9222 -1.9222 -1.7898 -1.7898 -1.7381 -1.7381 1.1865 1.1865 1.2756 1.2756 3.0548 3.0548 3.3045 3.3045 3.3368 3.3368 4.1300 4.1300 6.9647 6.9647 7.6177 7.6177 7.9001 7.9001 8.1806 8.1806 8.4710 8.4710 k = 0.1844 0.3194-0.0000 ( 6439 PWs) bands (ev): -25.6287 -25.6287 -25.6282 -25.6282 -9.3303 -9.3303 -9.3260 -9.3260 -9.0775 -9.0775 -9.0746 -9.0746 -9.0549 -9.0549 -9.0447 -9.0447 -4.1639 -4.1639 -4.1054 -4.1054 -2.3218 -2.3218 -2.3108 -2.3108 -2.2375 -2.2375 -2.1738 -2.1738 -2.0042 -2.0042 -1.9723 -1.9723 -1.9257 -1.9257 -1.9221 -1.9221 -1.7948 -1.7948 -1.7481 -1.7481 1.2924 1.2924 1.3798 1.3798 3.0760 3.0760 3.3041 3.3041 3.4169 3.4169 4.1045 4.1045 7.0422 7.0422 7.5480 7.5480 7.9717 7.9717 8.1507 8.1507 8.3924 8.3924 k = 0.1773 0.3071-0.0000 ( 6427 PWs) bands (ev): -25.6288 -25.6288 -25.6284 -25.6284 -9.3296 -9.3296 -9.3247 -9.3247 -9.0769 -9.0769 -9.0727 -9.0727 -9.0540 -9.0540 -9.0443 -9.0443 -4.1983 -4.1983 -4.1327 -4.1327 -2.3244 -2.3244 -2.3132 -2.3132 -2.2357 -2.2357 -2.1804 -2.1804 -2.0073 -2.0073 -1.9770 -1.9770 -1.9251 -1.9251 -1.9220 -1.9220 -1.7995 -1.7995 -1.7569 -1.7569 1.4026 1.4026 1.4884 1.4884 3.0518 3.0518 3.3498 3.3498 3.4983 3.4983 4.0799 4.0799 7.1234 7.1234 7.4785 7.4785 7.9822 7.9822 8.1833 8.1833 8.3163 8.3163 k = 0.1702 0.2948-0.0000 ( 6431 PWs) bands (ev): -25.6290 -25.6290 -25.6286 -25.6286 -9.3289 -9.3289 -9.3233 -9.3233 -9.0764 -9.0764 -9.0708 -9.0708 -9.0529 -9.0529 -9.0439 -9.0439 -4.2330 -4.2330 -4.1599 -4.1599 -2.3270 -2.3270 -2.3158 -2.3158 -2.2339 -2.2339 -2.1862 -2.1862 -2.0105 -2.0105 -1.9820 -1.9820 -1.9246 -1.9246 -1.9219 -1.9219 -1.8040 -1.8040 -1.7645 -1.7645 1.5168 1.5168 1.6014 1.6014 3.0049 3.0049 3.4186 3.4186 3.5800 3.5800 4.0570 4.0570 7.2073 7.2073 7.4104 7.4104 7.9412 7.9412 8.2325 8.2325 8.2773 8.2773 k = 0.1631 0.2825-0.0000 ( 6439 PWs) bands (ev): -25.6291 -25.6291 -25.6288 -25.6288 -9.3281 -9.3281 -9.3219 -9.3219 -9.0760 -9.0760 -9.0688 -9.0688 -9.0518 -9.0518 -9.0435 -9.0435 -4.2677 -4.2677 -4.1871 -4.1871 -2.3296 -2.3296 -2.3186 -2.3186 -2.2322 -2.2322 -2.1912 -2.1912 -2.0137 -2.0137 -1.9873 -1.9873 -1.9240 -1.9240 -1.9217 -1.9217 -1.8082 -1.8082 -1.7712 -1.7712 1.6348 1.6348 1.7186 1.7186 2.9507 2.9507 3.4948 3.4948 3.6612 3.6612 4.0370 4.0370 7.2873 7.2873 7.3508 7.3508 7.8852 7.8852 8.1638 8.1638 8.3718 8.3718 k = 0.1560 0.2702-0.0000 ( 6435 PWs) bands (ev): -25.6293 -25.6293 -25.6289 -25.6289 -9.3274 -9.3274 -9.3205 -9.3205 -9.0755 -9.0755 -9.0667 -9.0667 -9.0505 -9.0505 -9.0432 -9.0432 -4.3022 -4.3022 -4.2141 -4.2141 -2.3321 -2.3321 -2.3216 -2.3216 -2.2305 -2.2305 -2.1955 -2.1955 -2.0169 -2.0169 -1.9926 -1.9926 -1.9234 -1.9234 -1.9214 -1.9214 -1.8121 -1.8121 -1.7769 -1.7769 1.7565 1.7565 1.8398 1.8398 2.8945 2.8945 3.5717 3.5717 3.7407 3.7407 4.0222 4.0222 7.2668 7.2668 7.3958 7.3958 7.8239 7.8239 8.0916 8.0916 8.4709 8.4709 k = 0.1489 0.2580-0.0000 ( 6439 PWs) bands (ev): -25.6295 -25.6295 -25.6291 -25.6291 -9.3267 -9.3267 -9.3191 -9.3191 -9.0752 -9.0752 -9.0647 -9.0647 -9.0492 -9.0492 -9.0428 -9.0428 -4.3364 -4.3364 -4.2407 -4.2407 -2.3346 -2.3346 -2.3247 -2.3247 -2.2289 -2.2289 -2.1991 -2.1991 -2.0201 -2.0201 -1.9981 -1.9981 -1.9227 -1.9227 -1.9211 -1.9211 -1.8157 -1.8157 -1.7818 -1.7818 1.8814 1.8814 1.9647 1.9647 2.8387 2.8387 3.6446 3.6446 3.8161 3.8161 4.0174 4.0174 7.2034 7.2034 7.4877 7.4877 7.7599 7.7599 8.0202 8.0202 8.5444 8.5444 k = 0.1418 0.2457-0.0000 ( 6437 PWs) bands (ev): -25.6297 -25.6297 -25.6293 -25.6293 -9.3260 -9.3260 -9.3177 -9.3177 -9.0748 -9.0748 -9.0626 -9.0626 -9.0478 -9.0478 -9.0424 -9.0424 -4.3702 -4.3702 -4.2669 -4.2669 -2.3370 -2.3370 -2.3279 -2.3279 -2.2274 -2.2274 -2.2020 -2.2020 -2.0233 -2.0233 -2.0036 -2.0036 -1.9220 -1.9220 -1.9207 -1.9207 -1.8190 -1.8190 -1.7861 -1.7861 2.0092 2.0092 2.0933 2.0933 2.7844 2.7844 3.7073 3.7073 3.8837 3.8837 4.0311 4.0311 7.1393 7.1393 7.5824 7.5824 7.6951 7.6951 7.9498 7.9498 8.5510 8.5510 k = 0.1348 0.2334-0.0000 ( 6433 PWs) bands (ev): -25.6298 -25.6298 -25.6295 -25.6295 -9.3254 -9.3254 -9.3164 -9.3164 -9.0746 -9.0746 -9.0605 -9.0605 -9.0463 -9.0463 -9.0419 -9.0419 -4.4032 -4.4032 -4.2925 -4.2925 -2.3394 -2.3394 -2.3311 -2.3311 -2.2259 -2.2259 -2.2042 -2.2042 -2.0265 -2.0265 -2.0090 -2.0090 -1.9213 -1.9213 -1.9203 -1.9203 -1.8220 -1.8220 -1.7897 -1.7897 2.1392 2.1392 2.2252 2.2252 2.7328 2.7328 3.7508 3.7508 3.9433 3.9433 4.0713 4.0713 7.0759 7.0759 7.6152 7.6152 7.6918 7.6918 7.8813 7.8813 8.5363 8.5363 k = 0.1277 0.2211-0.0000 ( 6413 PWs) bands (ev): -25.6300 -25.6300 -25.6296 -25.6296 -9.3248 -9.3248 -9.3150 -9.3150 -9.0743 -9.0743 -9.0585 -9.0585 -9.0448 -9.0448 -9.0414 -9.0414 -4.4354 -4.4354 -4.3173 -4.3173 -2.3417 -2.3417 -2.3343 -2.3343 -2.2246 -2.2246 -2.2059 -2.2059 -2.0296 -2.0296 -2.0143 -2.0143 -1.9206 -1.9206 -1.9198 -1.9198 -1.8248 -1.8248 -1.7929 -1.7929 2.2694 2.2694 2.3601 2.3601 2.6863 2.6863 3.7708 3.7708 4.0044 4.0044 4.1326 4.1326 7.0133 7.0133 7.5467 7.5467 7.7723 7.7723 7.8304 7.8304 8.5233 8.5233 k = 0.1206 0.2088-0.0000 ( 6419 PWs) bands (ev): -25.6302 -25.6302 -25.6298 -25.6298 -9.3242 -9.3242 -9.3137 -9.3137 -9.0741 -9.0741 -9.0566 -9.0566 -9.0432 -9.0432 -9.0409 -9.0409 -4.4666 -4.4666 -4.3414 -4.3414 -2.3439 -2.3439 -2.3375 -2.3375 -2.2233 -2.2233 -2.2071 -2.2071 -2.0327 -2.0327 -2.0194 -2.0194 -1.9198 -1.9198 -1.9194 -1.9194 -1.8273 -1.8273 -1.7957 -1.7957 2.3935 2.3935 2.4968 2.4968 2.6520 2.6520 3.7732 3.7732 4.0719 4.0719 4.2033 4.2033 6.9516 6.9516 7.4712 7.4712 7.7317 7.7317 7.9071 7.9071 8.5159 8.5159 k = 0.1135 0.1965-0.0000 ( 6427 PWs) bands (ev): -25.6303 -25.6303 -25.6300 -25.6300 -9.3237 -9.3237 -9.3124 -9.3124 -9.0740 -9.0740 -9.0547 -9.0547 -9.0417 -9.0417 -9.0403 -9.0403 -4.4967 -4.4967 -4.3646 -4.3646 -2.3461 -2.3461 -2.3406 -2.3406 -2.2222 -2.2222 -2.2079 -2.2079 -2.0357 -2.0357 -2.0244 -2.0244 -1.9191 -1.9191 -1.9189 -1.9189 -1.8295 -1.8295 -1.7981 -1.7981 2.4800 2.4800 2.6269 2.6269 2.6697 2.6697 3.7664 3.7664 4.1433 4.1433 4.2768 4.2768 6.8905 6.8905 7.3912 7.3912 7.6638 7.6638 8.0141 8.0141 8.5151 8.5151 k = 0.1064 0.1843-0.0000 ( 6439 PWs) bands (ev): -25.6305 -25.6305 -25.6301 -25.6301 -9.3232 -9.3232 -9.3113 -9.3113 -9.0739 -9.0739 -9.0530 -9.0530 -9.0401 -9.0401 -9.0396 -9.0396 -4.5256 -4.5256 -4.3868 -4.3868 -2.3482 -2.3482 -2.3435 -2.3435 -2.2212 -2.2212 -2.2082 -2.2082 -2.0386 -2.0386 -2.0292 -2.0292 -1.9186 -1.9186 -1.9183 -1.9183 -1.8316 -1.8316 -1.8002 -1.8002 2.4848 2.4848 2.7420 2.7420 2.7915 2.7915 3.7556 3.7556 4.2156 4.2156 4.3503 4.3503 6.8297 6.8297 7.3063 7.3063 7.5940 7.5940 8.1254 8.1254 8.5214 8.5214 k = 0.0993 0.1720-0.0000 ( 6447 PWs) bands (ev): -25.6307 -25.6307 -25.6303 -25.6303 -9.3228 -9.3228 -9.3101 -9.3101 -9.0738 -9.0738 -9.0514 -9.0514 -9.0389 -9.0389 -9.0385 -9.0385 -4.5531 -4.5531 -4.4080 -4.4080 -2.3502 -2.3502 -2.3463 -2.3463 -2.2204 -2.2204 -2.2082 -2.2082 -2.0415 -2.0415 -2.0337 -2.0337 -1.9181 -1.9181 -1.9175 -1.9175 -1.8334 -1.8334 -1.8021 -1.8021 2.4553 2.4553 2.8765 2.8765 2.9347 2.9347 3.7440 3.7440 4.2870 4.2870 4.4225 4.4225 6.7686 6.7686 7.2160 7.2160 7.5234 7.5234 8.2395 8.2395 8.5348 8.5348 k = 0.0922 0.1597-0.0000 ( 6439 PWs) bands (ev): -25.6308 -25.6308 -25.6305 -25.6305 -9.3224 -9.3224 -9.3090 -9.3090 -9.0737 -9.0737 -9.0500 -9.0500 -9.0379 -9.0379 -9.0370 -9.0370 -4.5792 -4.5792 -4.4279 -4.4279 -2.3520 -2.3520 -2.3489 -2.3489 -2.2197 -2.2197 -2.2079 -2.2079 -2.0442 -2.0442 -2.0379 -2.0379 -1.9177 -1.9177 -1.9167 -1.9167 -1.8350 -1.8350 -1.8036 -1.8036 2.4197 2.4197 3.0197 3.0197 3.0808 3.0808 3.7335 3.7335 4.3563 4.3563 4.4925 4.4925 6.7067 6.7067 7.1198 7.1198 7.4522 7.4522 8.3560 8.3560 8.5555 8.5555 k = 0.0851 0.1474-0.0000 ( 6441 PWs) bands (ev): -25.6310 -25.6310 -25.6306 -25.6306 -9.3221 -9.3221 -9.3080 -9.3080 -9.0736 -9.0736 -9.0489 -9.0489 -9.0369 -9.0369 -9.0354 -9.0354 -4.6037 -4.6037 -4.4467 -4.4467 -2.3539 -2.3539 -2.3513 -2.3513 -2.2190 -2.2190 -2.2074 -2.2074 -2.0468 -2.0468 -2.0418 -2.0418 -1.9172 -1.9172 -1.9160 -1.9160 -1.8365 -1.8365 -1.8051 -1.8051 2.3841 2.3841 3.1663 3.1663 3.2269 3.2269 3.7266 3.7266 4.4227 4.4227 4.5599 4.5599 6.6431 6.6431 7.0173 7.0173 7.3808 7.3808 8.4743 8.4743 8.5834 8.5834 k = 0.0780 0.1351-0.0000 ( 6437 PWs) bands (ev): -25.6311 -25.6311 -25.6307 -25.6307 -9.3218 -9.3218 -9.3070 -9.3070 -9.0736 -9.0736 -9.0479 -9.0479 -9.0358 -9.0358 -9.0340 -9.0340 -4.6265 -4.6265 -4.4642 -4.4642 -2.3556 -2.3556 -2.3535 -2.3535 -2.2185 -2.2185 -2.2067 -2.2067 -2.0493 -2.0493 -2.0454 -2.0454 -1.9168 -1.9168 -1.9152 -1.9152 -1.8378 -1.8378 -1.8063 -1.8063 2.3500 2.3500 3.3127 3.3127 3.3700 3.3700 3.7282 3.7282 4.4855 4.4855 4.6242 4.6242 6.5765 6.5765 6.9082 6.9082 7.3097 7.3097 8.5905 8.5905 8.6193 8.6193 k = 0.0709 0.1228-0.0000 ( 6425 PWs) bands (ev): -25.6312 -25.6312 -25.6308 -25.6308 -9.3215 -9.3215 -9.3061 -9.3061 -9.0735 -9.0735 -9.0471 -9.0471 -9.0346 -9.0346 -9.0326 -9.0326 -4.6477 -4.6477 -4.4803 -4.4803 -2.3573 -2.3573 -2.3554 -2.3554 -2.2180 -2.2180 -2.2059 -2.2059 -2.0517 -2.0517 -2.0486 -2.0486 -1.9164 -1.9164 -1.9145 -1.9145 -1.8389 -1.8389 -1.8073 -1.8073 2.3181 2.3181 3.4490 3.4490 3.5064 3.5064 3.7506 3.7506 4.5443 4.5443 4.6852 4.6852 6.5057 6.5057 6.7925 6.7925 7.2398 7.2398 8.6413 8.6413 8.6744 8.6744 k = 0.0638 0.1106-0.0000 ( 6427 PWs) bands (ev): -25.6313 -25.6313 -25.6310 -25.6310 -9.3212 -9.3212 -9.3053 -9.3053 -9.0735 -9.0735 -9.0465 -9.0465 -9.0334 -9.0334 -9.0313 -9.0313 -4.6670 -4.6670 -4.4951 -4.4951 -2.3589 -2.3589 -2.3570 -2.3570 -2.2175 -2.2175 -2.2051 -2.2051 -2.0540 -2.0540 -2.0515 -2.0515 -1.9160 -1.9160 -1.9138 -1.9138 -1.8399 -1.8399 -1.8083 -1.8083 2.2888 2.2888 3.5405 3.5405 3.6451 3.6451 3.8186 3.8186 4.5990 4.5990 4.7425 4.7425 6.4291 6.4291 6.6705 6.6705 7.1722 7.1722 8.6290 8.6290 8.7119 8.7119 k = 0.0567 0.0983-0.0000 ( 6415 PWs) bands (ev): -25.6314 -25.6314 -25.6311 -25.6311 -9.3210 -9.3210 -9.3046 -9.3046 -9.0734 -9.0734 -9.0460 -9.0460 -9.0322 -9.0322 -9.0301 -9.0301 -4.6844 -4.6844 -4.5084 -4.5084 -2.3604 -2.3604 -2.3585 -2.3585 -2.2171 -2.2171 -2.2043 -2.2043 -2.0562 -2.0562 -2.0540 -2.0540 -1.9157 -1.9157 -1.9132 -1.9132 -1.8408 -1.8408 -1.8090 -1.8090 2.2623 2.2623 3.5757 3.5757 3.7928 3.7928 3.9352 3.9352 4.6496 4.6496 4.7961 4.7961 6.3451 6.3451 6.5426 6.5426 7.1085 7.1085 8.6070 8.6070 8.7610 8.7610 k = 0.0496 0.0860-0.0000 ( 6415 PWs) bands (ev): -25.6315 -25.6315 -25.6312 -25.6312 -9.3209 -9.3209 -9.3040 -9.3040 -9.0734 -9.0734 -9.0456 -9.0456 -9.0311 -9.0311 -9.0290 -9.0290 -4.7000 -4.7000 -4.5202 -4.5202 -2.3618 -2.3618 -2.3597 -2.3597 -2.2167 -2.2167 -2.2035 -2.2035 -2.0582 -2.0582 -2.0561 -2.0561 -1.9154 -1.9154 -1.9126 -1.9126 -1.8416 -1.8416 -1.8097 -1.8097 2.2387 2.2387 3.5850 3.5850 3.9427 3.9427 4.0747 4.0747 4.6963 4.6963 4.8459 4.8459 6.2526 6.2526 6.4099 6.4099 7.0503 7.0503 8.5865 8.5865 8.7950 8.7950 k = 0.0426 0.0737-0.0000 ( 6413 PWs) bands (ev): -25.6316 -25.6316 -25.6312 -25.6312 -9.3207 -9.3207 -9.3034 -9.3034 -9.0734 -9.0734 -9.0453 -9.0453 -9.0301 -9.0301 -9.0280 -9.0280 -4.7135 -4.7135 -4.5305 -4.5305 -2.3630 -2.3630 -2.3607 -2.3607 -2.2164 -2.2164 -2.2028 -2.2028 -2.0602 -2.0602 -2.0578 -2.0578 -1.9151 -1.9151 -1.9121 -1.9121 -1.8423 -1.8423 -1.8103 -1.8103 2.2180 2.2180 3.5855 3.5855 4.0907 4.0907 4.2212 4.2212 4.7399 4.7399 4.8923 4.8923 6.1511 6.1511 6.2735 6.2735 6.9989 6.9989 8.5684 8.5684 8.7394 8.7394 k = 0.0355 0.0614-0.0000 ( 6419 PWs) bands (ev): -25.6317 -25.6317 -25.6313 -25.6313 -9.3206 -9.3206 -9.3029 -9.3029 -9.0734 -9.0734 -9.0450 -9.0450 -9.0292 -9.0292 -9.0271 -9.0271 -4.7251 -4.7251 -4.5393 -4.5393 -2.3641 -2.3641 -2.3616 -2.3616 -2.2161 -2.2161 -2.2021 -2.2021 -2.0618 -2.0618 -2.0592 -2.0592 -1.9149 -1.9149 -1.9117 -1.9117 -1.8428 -1.8428 -1.8107 -1.8107 2.2005 2.2005 3.5831 3.5831 4.2328 4.2328 4.3670 4.3670 4.7820 4.7820 4.9361 4.9361 6.0409 6.0409 6.1353 6.1353 6.9551 6.9551 8.5526 8.5526 8.6750 8.6750 k = 0.0284 0.0491-0.0000 ( 6419 PWs) bands (ev): -25.6317 -25.6317 -25.6314 -25.6314 -9.3205 -9.3205 -9.3025 -9.3025 -9.0734 -9.0734 -9.0448 -9.0448 -9.0284 -9.0284 -9.0264 -9.0264 -4.7346 -4.7346 -4.5465 -4.5465 -2.3649 -2.3649 -2.3623 -2.3623 -2.2159 -2.2159 -2.2016 -2.2016 -2.0632 -2.0632 -2.0604 -2.0604 -1.9147 -1.9147 -1.9113 -1.9113 -1.8433 -1.8433 -1.8111 -1.8111 2.1861 2.1861 3.5799 3.5799 4.3639 4.3639 4.5063 4.5063 4.8253 4.8253 4.9796 4.9796 5.9237 5.9237 5.9979 5.9979 6.9195 6.9195 8.5385 8.5385 8.6231 8.6231 k = 0.0213 0.0369-0.0000 ( 6405 PWs) bands (ev): -25.6318 -25.6318 -25.6314 -25.6314 -9.3205 -9.3205 -9.3022 -9.3022 -9.0734 -9.0734 -9.0447 -9.0447 -9.0277 -9.0277 -9.0259 -9.0259 -4.7420 -4.7420 -4.5522 -4.5522 -2.3656 -2.3656 -2.3628 -2.3628 -2.2157 -2.2157 -2.2011 -2.2011 -2.0643 -2.0643 -2.0612 -2.0612 -1.9145 -1.9145 -1.9110 -1.9110 -1.8436 -1.8436 -1.8114 -1.8114 2.1748 2.1748 3.5769 3.5769 4.4756 4.4756 4.6308 4.6308 4.8738 4.8738 5.0271 5.0271 5.8025 5.8025 5.8661 5.8661 6.8921 6.8921 8.5250 8.5250 8.5858 8.5858 k = 0.0142 0.0246-0.0000 ( 6401 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3204 -9.3204 -9.3020 -9.3020 -9.0734 -9.0734 -9.0446 -9.0446 -9.0273 -9.0273 -9.0255 -9.0255 -4.7473 -4.7473 -4.5562 -4.5562 -2.3660 -2.3660 -2.3632 -2.3632 -2.2155 -2.2155 -2.2008 -2.2008 -2.0651 -2.0651 -2.0619 -2.0619 -1.9144 -1.9144 -1.9108 -1.9108 -1.8439 -1.8439 -1.8116 -1.8116 2.1667 2.1667 3.5745 3.5745 4.5583 4.5583 4.7286 4.7286 4.9291 4.9291 5.0846 5.0846 5.6834 5.6834 5.7479 5.7479 6.8727 6.8727 8.5119 8.5119 8.5630 8.5630 k = 0.0071 0.0123-0.0000 ( 6383 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3204 -9.3204 -9.3018 -9.3018 -9.0734 -9.0734 -9.0445 -9.0445 -9.0270 -9.0270 -9.0252 -9.0252 -4.7505 -4.7505 -4.5586 -4.5586 -2.3663 -2.3663 -2.3634 -2.3634 -2.2154 -2.2154 -2.2006 -2.2006 -2.0656 -2.0656 -2.0622 -2.0622 -1.9143 -1.9143 -1.9107 -1.9107 -1.8440 -1.8440 -1.8116 -1.8116 2.1619 2.1619 3.5730 3.5730 4.6066 4.6066 4.7885 4.7885 4.9813 4.9813 5.1484 5.1484 5.5815 5.5815 5.6591 5.6591 6.8611 6.8611 8.5016 8.5016 8.5519 8.5519 k = 0.0000 0.0000 0.0000 ( 6373 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3204 -9.3204 -9.3018 -9.3018 -9.0734 -9.0734 -9.0445 -9.0445 -9.0268 -9.0268 -9.0251 -9.0251 -4.7515 -4.7515 -4.5595 -4.5595 -2.3664 -2.3664 -2.3635 -2.3635 -2.2154 -2.2154 -2.2005 -2.2005 -2.0657 -2.0657 -2.0623 -2.0623 -1.9143 -1.9143 -1.9106 -1.9106 -1.8441 -1.8441 -1.8117 -1.8117 2.1602 2.1602 3.5724 3.5724 4.6220 4.6220 4.8079 4.8079 5.0044 5.0044 5.1823 5.1823 5.5354 5.5354 5.6244 5.6244 6.8573 6.8573 8.4978 8.4978 8.5486 8.5486 k = 0.0000 0.0000 0.0000 ( 6373 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3204 -9.3204 -9.3018 -9.3018 -9.0734 -9.0734 -9.0445 -9.0445 -9.0268 -9.0268 -9.0251 -9.0251 -4.7515 -4.7515 -4.5595 -4.5595 -2.3664 -2.3664 -2.3635 -2.3635 -2.2154 -2.2154 -2.2005 -2.2005 -2.0657 -2.0657 -2.0623 -2.0623 -1.9143 -1.9143 -1.9106 -1.9106 -1.8441 -1.8441 -1.8117 -1.8117 2.1602 2.1602 3.5724 3.5724 4.6220 4.6220 4.8079 4.8079 5.0044 5.0044 5.1823 5.1823 5.5354 5.5354 5.6244 5.6244 6.8573 6.8573 8.4978 8.4978 8.5486 8.5486 k = 0.0000 0.0000 0.0144 ( 6373 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3203 -9.3203 -9.3018 -9.3018 -9.0733 -9.0733 -9.0446 -9.0446 -9.0268 -9.0268 -9.0251 -9.0251 -4.7510 -4.7510 -4.5600 -4.5600 -2.3664 -2.3664 -2.3635 -2.3635 -2.2154 -2.2154 -2.2006 -2.2006 -2.0657 -2.0657 -2.0623 -2.0623 -1.9143 -1.9143 -1.9106 -1.9106 -1.8440 -1.8440 -1.8118 -1.8118 2.1631 2.1631 3.5662 3.5662 4.6224 4.6224 4.8070 4.8070 5.0049 5.0049 5.1818 5.1818 5.5382 5.5382 5.6247 5.6247 6.8635 6.8635 8.4990 8.4990 8.5499 8.5499 k = 0.0000 0.0000 0.0288 ( 6373 PWs) bands (ev): -25.6318 -25.6318 -25.6314 -25.6314 -9.3201 -9.3201 -9.3020 -9.3020 -9.0731 -9.0731 -9.0449 -9.0449 -9.0268 -9.0268 -9.0251 -9.0251 -4.7495 -4.7495 -4.5616 -4.5616 -2.3664 -2.3664 -2.3635 -2.3635 -2.2153 -2.2153 -2.2007 -2.2007 -2.0657 -2.0657 -2.0624 -2.0624 -1.9143 -1.9143 -1.9106 -1.9106 -1.8438 -1.8438 -1.8121 -1.8121 2.1715 2.1715 3.5476 3.5476 4.6236 4.6236 4.8042 4.8042 5.0062 5.0062 5.1802 5.1802 5.5460 5.5460 5.6256 5.6256 6.8821 6.8821 8.5025 8.5025 8.5536 8.5536 k = 0.0000 0.0000 0.0432 ( 6373 PWs) bands (ev): -25.6318 -25.6318 -25.6314 -25.6314 -9.3198 -9.3198 -9.3022 -9.3022 -9.0727 -9.0727 -9.0453 -9.0453 -9.0268 -9.0268 -9.0251 -9.0251 -4.7469 -4.7469 -4.5643 -4.5643 -2.3663 -2.3663 -2.3636 -2.3636 -2.2151 -2.2151 -2.2009 -2.2009 -2.0656 -2.0656 -2.0624 -2.0624 -1.9142 -1.9142 -1.9107 -1.9107 -1.8434 -1.8434 -1.8127 -1.8127 2.1855 2.1855 3.5176 3.5176 4.6256 4.6256 4.7998 4.7998 5.0085 5.0085 5.1776 5.1776 5.5581 5.5581 5.6272 5.6272 6.9131 6.9131 8.5084 8.5084 8.5598 8.5598 k = 0.0000 0.0000 0.0577 ( 6385 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3195 -9.3195 -9.3025 -9.3025 -9.0722 -9.0722 -9.0459 -9.0459 -9.0268 -9.0268 -9.0252 -9.0252 -4.7434 -4.7434 -4.5680 -4.5680 -2.3663 -2.3663 -2.3636 -2.3636 -2.2148 -2.2148 -2.2012 -2.2012 -2.0656 -2.0656 -2.0625 -2.0625 -1.9142 -1.9142 -1.9108 -1.9108 -1.8429 -1.8429 -1.8134 -1.8134 2.2050 2.2050 3.4772 3.4772 4.6284 4.6284 4.7942 4.7942 5.0116 5.0116 5.1740 5.1740 5.5729 5.5729 5.6293 5.6293 6.9565 6.9565 8.5166 8.5166 8.5684 8.5684 k = 0.0000 0.0000 0.0721 ( 6391 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3190 -9.3190 -9.3029 -9.3029 -9.0716 -9.0716 -9.0467 -9.0467 -9.0268 -9.0268 -9.0252 -9.0252 -4.7390 -4.7390 -4.5727 -4.5727 -2.3662 -2.3662 -2.3637 -2.3637 -2.2145 -2.2145 -2.2016 -2.2016 -2.0655 -2.0655 -2.0626 -2.0626 -1.9141 -1.9141 -1.9109 -1.9109 -1.8423 -1.8423 -1.8143 -1.8143 2.2299 2.2299 3.4278 3.4278 4.6320 4.6320 4.7875 4.7875 5.0155 5.0155 5.1694 5.1694 5.5891 5.5891 5.6319 5.6319 7.0121 7.0121 8.5270 8.5270 8.5795 8.5795 k = 0.0000 0.0000 0.0865 ( 6402 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3184 -9.3184 -9.3034 -9.3034 -9.0709 -9.0709 -9.0476 -9.0476 -9.0267 -9.0267 -9.0253 -9.0253 -4.7337 -4.7337 -4.5783 -4.5783 -2.3662 -2.3662 -2.3638 -2.3638 -2.2142 -2.2142 -2.2021 -2.2021 -2.0654 -2.0654 -2.0627 -2.0627 -1.9140 -1.9140 -1.9110 -1.9110 -1.8415 -1.8415 -1.8154 -1.8154 2.2601 2.2601 3.3711 3.3711 4.6363 4.6363 4.7800 4.7800 5.0202 5.0202 5.1640 5.1640 5.6053 5.6053 5.6351 5.6351 7.0795 7.0795 8.5395 8.5395 8.5929 8.5929 k = 0.0000 0.0000 0.1009 ( 6414 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3178 -9.3178 -9.3040 -9.3040 -9.0700 -9.0700 -9.0486 -9.0486 -9.0267 -9.0267 -9.0254 -9.0254 -4.7275 -4.7275 -4.5848 -4.5848 -2.3661 -2.3661 -2.3639 -2.3639 -2.2137 -2.2137 -2.2026 -2.2026 -2.0653 -2.0653 -2.0628 -2.0628 -1.9139 -1.9139 -1.9111 -1.9111 -1.8407 -1.8407 -1.8167 -1.8167 2.2955 2.2955 3.3083 3.3083 4.6413 4.6413 4.7720 4.7720 5.0257 5.0257 5.1577 5.1577 5.6205 5.6205 5.6386 5.6386 7.1582 7.1582 8.5539 8.5539 8.6087 8.6087 k = 0.0000 0.0000 0.1153 ( 6414 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3170 -9.3170 -9.3046 -9.3046 -9.0690 -9.0690 -9.0498 -9.0498 -9.0266 -9.0266 -9.0254 -9.0254 -4.7205 -4.7205 -4.5920 -4.5920 -2.3660 -2.3660 -2.3640 -2.3640 -2.2132 -2.2132 -2.2032 -2.2032 -2.0652 -2.0652 -2.0629 -2.0629 -1.9138 -1.9138 -1.9113 -1.9113 -1.8396 -1.8396 -1.8181 -1.8181 2.3357 2.3357 3.2411 3.2411 4.6469 4.6469 4.7636 4.7636 5.0319 5.0319 5.1508 5.1508 5.6338 5.6338 5.6424 5.6424 7.2476 7.2476 8.5698 8.5698 8.6267 8.6267 k = 0.0000 0.0000 0.1297 ( 6408 PWs) bands (ev): -25.6318 -25.6318 -25.6315 -25.6315 -9.3162 -9.3162 -9.3053 -9.3053 -9.0679 -9.0679 -9.0510 -9.0510 -9.0266 -9.0266 -9.0255 -9.0255 -4.7128 -4.7128 -4.6000 -4.6000 -2.3659 -2.3659 -2.3641 -2.3641 -2.2126 -2.2126 -2.2038 -2.2038 -2.0651 -2.0651 -2.0631 -2.0631 -1.9136 -1.9136 -1.9114 -1.9114 -1.8385 -1.8385 -1.8196 -1.8196 2.3808 2.3808 3.1706 3.1706 4.6532 4.6532 4.7549 4.7549 5.0388 5.0388 5.1432 5.1432 5.6449 5.6449 5.6464 5.6464 7.3465 7.3465 8.5863 8.5863 8.6468 8.6468 k = 0.0000 0.0000 0.1441 ( 6420 PWs) bands (ev): -25.6318 -25.6318 -25.6316 -25.6316 -9.3153 -9.3153 -9.3061 -9.3061 -9.0667 -9.0667 -9.0524 -9.0524 -9.0265 -9.0265 -9.0256 -9.0256 -4.7045 -4.7045 -4.6085 -4.6085 -2.3657 -2.3657 -2.3642 -2.3642 -2.2120 -2.2120 -2.2046 -2.2046 -2.0649 -2.0649 -2.0632 -2.0632 -1.9134 -1.9134 -1.9116 -1.9116 -1.8372 -1.8372 -1.8212 -1.8212 2.4304 2.4304 3.0980 3.0980 4.6600 4.6600 4.7459 4.7459 5.0462 5.0462 5.1350 5.1350 5.6505 5.6505 5.6536 5.6536 7.4541 7.4541 8.5994 8.5994 8.6690 8.6690 k = 0.0000 0.0000 0.1585 ( 6420 PWs) bands (ev): -25.6318 -25.6318 -25.6316 -25.6316 -9.3144 -9.3144 -9.3069 -9.3069 -9.0655 -9.0655 -9.0538 -9.0538 -9.0264 -9.0264 -9.0256 -9.0256 -4.6957 -4.6957 -4.6176 -4.6176 -2.3656 -2.3656 -2.3644 -2.3644 -2.2113 -2.2113 -2.2053 -2.2053 -2.0648 -2.0648 -2.0634 -2.0634 -1.9133 -1.9133 -1.9117 -1.9117 -1.8359 -1.8359 -1.8229 -1.8229 2.4842 2.4842 3.0244 3.0244 4.6673 4.6673 4.7369 4.7369 5.0542 5.0542 5.1264 5.1264 5.6546 5.6546 5.6600 5.6600 7.5693 7.5693 8.5833 8.5833 8.6932 8.6934 k = 0.0000 0.0000 0.1730 ( 6426 PWs) bands (ev): -25.6317 -25.6317 -25.6316 -25.6316 -9.3135 -9.3135 -9.3078 -9.3078 -9.0641 -9.0641 -9.0552 -9.0552 -9.0263 -9.0263 -9.0257 -9.0257 -4.6864 -4.6864 -4.6271 -4.6271 -2.3654 -2.3654 -2.3645 -2.3645 -2.2106 -2.2106 -2.2060 -2.2060 -2.0646 -2.0646 -2.0635 -2.0635 -1.9131 -1.9131 -1.9119 -1.9119 -1.8345 -1.8345 -1.8246 -1.8246 2.5420 2.5420 2.9507 2.9507 4.6751 4.6751 4.7277 4.7277 5.0626 5.0626 5.1175 5.1175 5.6584 5.6584 5.6642 5.6642 7.6908 7.6908 8.4844 8.4844 8.6860 8.6860 k = 0.0000 0.0000 0.1874 ( 6438 PWs) bands (ev): -25.6318 -25.6318 -25.6316 -25.6316 -9.3125 -9.3125 -9.3087 -9.3087 -9.0627 -9.0627 -9.0568 -9.0568 -9.0262 -9.0262 -9.0258 -9.0258 -4.6768 -4.6768 -4.6369 -4.6369 -2.3653 -2.3653 -2.3647 -2.3647 -2.2099 -2.2099 -2.2068 -2.2068 -2.0644 -2.0644 -2.0637 -2.0637 -1.9129 -1.9129 -1.9121 -1.9121 -1.8329 -1.8329 -1.8263 -1.8263 2.6034 2.6034 2.8775 2.8775 4.6833 4.6833 4.7186 4.7186 5.0714 5.0714 5.1083 5.1083 5.6617 5.6617 5.6665 5.6665 7.8177 7.8177 8.3541 8.3541 8.7044 8.7044 k = 0.0000 0.0000 0.2018 ( 6432 PWs) bands (ev): -25.6317 -25.6317 -25.6316 -25.6316 -9.3116 -9.3116 -9.3097 -9.3097 -9.0612 -9.0612 -9.0583 -9.0583 -9.0261 -9.0261 -9.0259 -9.0259 -4.6669 -4.6669 -4.6468 -4.6468 -2.3652 -2.3652 -2.3648 -2.3648 -2.2092 -2.2092 -2.2076 -2.2076 -2.0643 -2.0643 -2.0639 -2.0639 -1.9127 -1.9127 -1.9123 -1.9123 -1.8313 -1.8313 -1.8280 -1.8280 2.6681 2.6681 2.8057 2.8057 4.6918 4.6918 4.7095 4.7095 5.0805 5.0805 5.0990 5.0990 5.6645 5.6645 5.6671 5.6671 7.9488 7.9488 8.2186 8.2186 8.7296 8.7296 k = 0.0000 0.0000 0.2162 ( 6438 PWs) bands (ev): -25.6317 -25.6317 -25.6317 -25.6317 -9.3106 -9.3106 -9.3106 -9.3106 -9.0598 -9.0598 -9.0598 -9.0598 -9.0260 -9.0260 -9.0260 -9.0260 -4.6569 -4.6569 -4.6569 -4.6569 -2.3650 -2.3650 -2.3650 -2.3650 -2.2084 -2.2084 -2.2084 -2.2084 -2.0641 -2.0641 -2.0641 -2.0641 -1.9125 -1.9125 -1.9125 -1.9125 -1.8297 -1.8297 -1.8297 -1.8297 2.7357 2.7357 2.7357 2.7357 4.7005 4.7005 4.7005 4.7005 5.0897 5.0897 5.0897 5.0897 5.6664 5.6664 5.6664 5.6664 8.0829 8.0829 8.0829 8.0829 8.7576 8.7576 k = 0.0000 0.0000 0.2162 ( 6438 PWs) bands (ev): -25.6317 -25.6317 -25.6317 -25.6317 -9.3106 -9.3106 -9.3106 -9.3106 -9.0598 -9.0598 -9.0598 -9.0598 -9.0260 -9.0260 -9.0260 -9.0260 -4.6569 -4.6569 -4.6569 -4.6569 -2.3650 -2.3650 -2.3650 -2.3650 -2.2084 -2.2084 -2.2084 -2.2084 -2.0641 -2.0641 -2.0641 -2.0641 -1.9125 -1.9125 -1.9125 -1.9125 -1.8297 -1.8297 -1.8297 -1.8297 2.7357 2.7357 2.7357 2.7357 4.7005 4.7005 4.7005 4.7005 5.0897 5.0897 5.0897 5.0897 5.6664 5.6664 5.6664 5.6664 8.0829 8.0829 8.0829 8.0829 8.7576 8.7576 k = 0.0125 0.0072 0.2162 ( 6440 PWs) bands (ev): -25.6317 -25.6317 -25.6317 -25.6317 -9.3106 -9.3106 -9.3106 -9.3106 -9.0598 -9.0598 -9.0598 -9.0598 -9.0261 -9.0261 -9.0261 -9.0261 -4.6559 -4.6559 -4.6559 -4.6559 -2.3649 -2.3649 -2.3649 -2.3649 -2.2084 -2.2084 -2.2084 -2.2084 -2.0639 -2.0639 -2.0639 -2.0639 -1.9126 -1.9126 -1.9126 -1.9126 -1.8296 -1.8296 -1.8296 -1.8296 2.7370 2.7370 2.7370 2.7370 4.6838 4.6838 4.6838 4.6838 5.0641 5.0641 5.0641 5.0641 5.7039 5.7039 5.7039 5.7039 8.0833 8.0833 8.0833 8.0833 8.7592 8.7592 k = 0.0250 0.0144 0.2162 ( 6434 PWs) bands (ev): -25.6317 -25.6317 -25.6317 -25.6317 -9.3107 -9.3107 -9.3107 -9.3107 -9.0598 -9.0598 -9.0598 -9.0598 -9.0264 -9.0264 -9.0264 -9.0264 -4.6530 -4.6530 -4.6530 -4.6530 -2.3646 -2.3646 -2.3646 -2.3646 -2.2086 -2.2086 -2.2086 -2.2086 -2.0635 -2.0635 -2.0635 -2.0635 -1.9127 -1.9127 -1.9127 -1.9127 -1.8295 -1.8295 -1.8295 -1.8295 2.7407 2.7407 2.7407 2.7407 4.6319 4.6319 4.6319 4.6319 5.0080 5.0080 5.0080 5.0080 5.7977 5.7977 5.7977 5.7977 8.0846 8.0846 8.0846 8.0846 8.7613 8.7613 k = 0.0375 0.0217 0.2162 ( 6438 PWs) bands (ev): -25.6316 -25.6316 -25.6316 -25.6316 -9.3109 -9.3109 -9.3109 -9.3109 -9.0598 -9.0598 -9.0598 -9.0598 -9.0268 -9.0268 -9.0268 -9.0268 -4.6481 -4.6481 -4.6481 -4.6481 -2.3642 -2.3642 -2.3642 -2.3642 -2.2088 -2.2088 -2.2088 -2.2088 -2.0628 -2.0628 -2.0628 -2.0628 -1.9128 -1.9128 -1.9128 -1.9128 -1.8292 -1.8292 -1.8292 -1.8292 2.7469 2.7469 2.7469 2.7469 4.5439 4.5439 4.5439 4.5439 4.9501 4.9501 4.9501 4.9501 5.9196 5.9196 5.9196 5.9196 8.0866 8.0866 8.0866 8.0866 8.7594 8.7594 k = 0.0500 0.0289 0.2162 ( 6442 PWs) bands (ev): -25.6316 -25.6316 -25.6316 -25.6316 -9.3111 -9.3111 -9.3111 -9.3111 -9.0599 -9.0599 -9.0599 -9.0599 -9.0274 -9.0274 -9.0274 -9.0274 -4.6414 -4.6414 -4.6414 -4.6414 -2.3636 -2.3636 -2.3636 -2.3636 -2.2091 -2.2091 -2.2091 -2.2091 -2.0617 -2.0617 -2.0617 -2.0617 -1.9131 -1.9131 -1.9131 -1.9131 -1.8289 -1.8289 -1.8289 -1.8289 2.7554 2.7554 2.7554 2.7554 4.4266 4.4266 4.4266 4.4266 4.9001 4.9001 4.9001 4.9001 6.0529 6.0529 6.0529 6.0529 8.0894 8.0894 8.0894 8.0894 8.7534 8.7534 k = 0.0625 0.0361 0.2162 ( 6442 PWs) bands (ev): -25.6315 -25.6315 -25.6315 -25.6315 -9.3113 -9.3113 -9.3113 -9.3113 -9.0600 -9.0600 -9.0600 -9.0600 -9.0282 -9.0282 -9.0282 -9.0282 -4.6327 -4.6327 -4.6327 -4.6327 -2.3627 -2.3627 -2.3627 -2.3627 -2.2095 -2.2095 -2.2095 -2.2095 -2.0604 -2.0604 -2.0604 -2.0604 -1.9134 -1.9134 -1.9134 -1.9134 -1.8284 -1.8284 -1.8284 -1.8284 2.7662 2.7662 2.7662 2.7662 4.2902 4.2902 4.2902 4.2902 4.8558 4.8558 4.8558 4.8558 6.1892 6.1892 6.1892 6.1892 8.0928 8.0928 8.0928 8.0928 8.7457 8.7457 k = 0.0750 0.0433 0.2162 ( 6452 PWs) bands (ev): -25.6315 -25.6315 -25.6315 -25.6315 -9.3117 -9.3117 -9.3117 -9.3117 -9.0601 -9.0601 -9.0601 -9.0601 -9.0291 -9.0291 -9.0291 -9.0291 -4.6221 -4.6221 -4.6221 -4.6221 -2.3618 -2.3618 -2.3618 -2.3618 -2.2100 -2.2100 -2.2100 -2.2100 -2.0588 -2.0588 -2.0588 -2.0588 -1.9137 -1.9137 -1.9137 -1.9137 -1.8279 -1.8279 -1.8279 -1.8279 2.7790 2.7790 2.7790 2.7790 4.1431 4.1431 4.1431 4.1431 4.8132 4.8132 4.8132 4.8132 6.3233 6.3233 6.3233 6.3233 8.0968 8.0968 8.0968 8.0968 8.7390 8.7390 k = 0.0875 0.0505 0.2162 ( 6450 PWs) bands (ev): -25.6314 -25.6314 -25.6314 -25.6314 -9.3120 -9.3120 -9.3120 -9.3120 -9.0603 -9.0603 -9.0603 -9.0603 -9.0301 -9.0301 -9.0301 -9.0301 -4.6097 -4.6097 -4.6097 -4.6097 -2.3606 -2.3606 -2.3606 -2.3606 -2.2105 -2.2105 -2.2105 -2.2105 -2.0570 -2.0570 -2.0570 -2.0570 -1.9141 -1.9141 -1.9141 -1.9141 -1.8272 -1.8272 -1.8272 -1.8272 2.7937 2.7937 2.7937 2.7937 3.9906 3.9906 3.9906 3.9906 4.7702 4.7702 4.7702 4.7702 6.4515 6.4515 6.4515 6.4515 8.1011 8.1011 8.1011 8.1011 8.7353 8.7353 k = 0.1000 0.0577 0.2162 ( 6442 PWs) bands (ev): -25.6313 -25.6313 -25.6313 -25.6313 -9.3125 -9.3125 -9.3125 -9.3125 -9.0605 -9.0605 -9.0605 -9.0605 -9.0313 -9.0313 -9.0313 -9.0313 -4.5955 -4.5955 -4.5955 -4.5955 -2.3592 -2.3592 -2.3592 -2.3592 -2.2111 -2.2111 -2.2111 -2.2111 -2.0548 -2.0548 -2.0548 -2.0548 -1.9146 -1.9146 -1.9146 -1.9146 -1.8264 -1.8264 -1.8264 -1.8264 2.8096 2.8096 2.8096 2.8096 3.8358 3.8358 3.8358 3.8358 4.7256 4.7256 4.7256 4.7256 6.5706 6.5706 6.5706 6.5706 8.1054 8.1054 8.1054 8.1054 8.7367 8.7367 k = 0.1125 0.0650 0.2162 ( 6436 PWs) bands (ev): -25.6311 -25.6311 -25.6311 -25.6311 -9.3129 -9.3129 -9.3129 -9.3129 -9.0607 -9.0607 -9.0607 -9.0607 -9.0325 -9.0325 -9.0325 -9.0325 -4.5795 -4.5795 -4.5795 -4.5795 -2.3577 -2.3577 -2.3577 -2.3577 -2.2117 -2.2117 -2.2117 -2.2117 -2.0524 -2.0524 -2.0524 -2.0524 -1.9151 -1.9151 -1.9151 -1.9151 -1.8255 -1.8255 -1.8255 -1.8255 2.8260 2.8260 2.8260 2.8260 3.6814 3.6814 3.6814 3.6814 4.6791 4.6791 4.6791 4.6791 6.6778 6.6778 6.6778 6.6778 8.1092 8.1092 8.1092 8.1092 8.7452 8.7452 k = 0.1250 0.0722 0.2162 ( 6432 PWs) bands (ev): -25.6310 -25.6310 -25.6310 -25.6310 -9.3135 -9.3135 -9.3135 -9.3135 -9.0610 -9.0610 -9.0610 -9.0610 -9.0339 -9.0339 -9.0339 -9.0339 -4.5618 -4.5618 -4.5618 -4.5618 -2.3560 -2.3560 -2.3560 -2.3560 -2.2123 -2.2123 -2.2123 -2.2123 -2.0497 -2.0497 -2.0497 -2.0497 -1.9156 -1.9156 -1.9156 -1.9156 -1.8244 -1.8244 -1.8244 -1.8244 2.8410 2.8410 2.8410 2.8410 3.5302 3.5302 3.5302 3.5302 4.6307 4.6307 4.6307 4.6307 6.7705 6.7705 6.7705 6.7705 8.1114 8.1114 8.1114 8.1114 8.7620 8.7620 k = 0.1375 0.0794 0.2162 ( 6442 PWs) bands (ev): -25.6309 -25.6309 -25.6309 -25.6309 -9.3141 -9.3141 -9.3141 -9.3141 -9.0613 -9.0613 -9.0613 -9.0613 -9.0352 -9.0352 -9.0352 -9.0352 -4.5425 -4.5425 -4.5425 -4.5425 -2.3541 -2.3541 -2.3541 -2.3541 -2.2130 -2.2130 -2.2130 -2.2130 -2.0468 -2.0468 -2.0468 -2.0468 -1.9162 -1.9162 -1.9162 -1.9162 -1.8233 -1.8233 -1.8233 -1.8233 2.8512 2.8512 2.8512 2.8512 3.3866 3.3866 3.3866 3.3866 4.5807 4.5807 4.5808 4.5808 6.8468 6.8468 6.8468 6.8468 8.1103 8.1103 8.1103 8.1103 8.7876 8.7876 k = 0.1500 0.0866 0.2162 ( 6442 PWs) bands (ev): -25.6308 -25.6308 -25.6308 -25.6308 -9.3148 -9.3148 -9.3148 -9.3148 -9.0617 -9.0617 -9.0617 -9.0617 -9.0367 -9.0367 -9.0367 -9.0367 -4.5216 -4.5216 -4.5216 -4.5216 -2.3521 -2.3521 -2.3521 -2.3521 -2.2136 -2.2136 -2.2136 -2.2136 -2.0437 -2.0437 -2.0437 -2.0437 -1.9168 -1.9168 -1.9168 -1.9168 -1.8219 -1.8219 -1.8219 -1.8219 2.8476 2.8476 2.8476 2.8476 3.2597 3.2597 3.2597 3.2597 4.5295 4.5295 4.5295 4.5295 6.9058 6.9058 6.9058 6.9058 8.1040 8.1040 8.1040 8.1040 8.8205 8.8205 k = 0.1625 0.0938 0.2162 ( 6446 PWs) bands (ev): -25.6306 -25.6306 -25.6306 -25.6306 -9.3155 -9.3155 -9.3155 -9.3155 -9.0622 -9.0622 -9.0622 -9.0622 -9.0381 -9.0381 -9.0381 -9.0381 -4.4992 -4.4992 -4.4992 -4.4992 -2.3499 -2.3499 -2.3499 -2.3499 -2.2142 -2.2142 -2.2142 -2.2142 -2.0403 -2.0403 -2.0403 -2.0403 -1.9174 -1.9174 -1.9174 -1.9174 -1.8204 -1.8204 -1.8204 -1.8204 2.8125 2.8125 2.8125 2.8125 3.1678 3.1678 3.1678 3.1678 4.4773 4.4773 4.4773 4.4773 6.9476 6.9476 6.9476 6.9476 8.0899 8.0899 8.0899 8.0899 8.8575 8.8575 k = 0.1750 0.1010 0.2162 ( 6450 PWs) bands (ev): -25.6305 -25.6305 -25.6305 -25.6305 -9.3163 -9.3163 -9.3163 -9.3163 -9.0628 -9.0628 -9.0628 -9.0628 -9.0394 -9.0394 -9.0394 -9.0394 -4.4755 -4.4755 -4.4755 -4.4755 -2.3475 -2.3475 -2.3475 -2.3475 -2.2148 -2.2148 -2.2148 -2.2148 -2.0367 -2.0367 -2.0367 -2.0367 -1.9180 -1.9180 -1.9180 -1.9180 -1.8187 -1.8187 -1.8187 -1.8187 2.7303 2.7303 2.7303 2.7303 3.1268 3.1268 3.1268 3.1268 4.4245 4.4245 4.4245 4.4245 6.9734 6.9734 6.9734 6.9734 8.0661 8.0661 8.0661 8.0661 8.8936 8.8936 k = 0.1875 0.1083 0.2162 ( 6452 PWs) bands (ev): -25.6303 -25.6303 -25.6303 -25.6303 -9.3172 -9.3172 -9.3172 -9.3172 -9.0635 -9.0635 -9.0635 -9.0635 -9.0407 -9.0407 -9.0407 -9.0407 -4.4504 -4.4504 -4.4504 -4.4504 -2.3450 -2.3450 -2.3450 -2.3450 -2.2153 -2.2153 -2.2153 -2.2153 -2.0329 -2.0329 -2.0329 -2.0329 -1.9186 -1.9186 -1.9186 -1.9186 -1.8167 -1.8167 -1.8167 -1.8167 2.6125 2.6125 2.6125 2.6125 3.1253 3.1253 3.1253 3.1253 4.3716 4.3716 4.3716 4.3716 6.9851 6.9851 6.9851 6.9851 8.0313 8.0313 8.0313 8.0313 8.9255 8.9255 k = 0.2000 0.1155 0.2162 ( 6448 PWs) bands (ev): -25.6301 -25.6301 -25.6301 -25.6301 -9.3181 -9.3181 -9.3181 -9.3181 -9.0643 -9.0643 -9.0643 -9.0643 -9.0420 -9.0420 -9.0420 -9.0420 -4.4241 -4.4241 -4.4241 -4.4241 -2.3423 -2.3423 -2.3423 -2.3423 -2.2157 -2.2157 -2.2157 -2.2157 -2.0289 -2.0289 -2.0289 -2.0289 -1.9192 -1.9192 -1.9192 -1.9192 -1.8146 -1.8146 -1.8146 -1.8146 2.4783 2.4783 2.4783 2.4783 3.1442 3.1442 3.1442 3.1442 4.3188 4.3188 4.3188 4.3188 6.9850 6.9850 6.9850 6.9850 7.9852 7.9852 7.9852 7.9852 8.9532 8.9532 k = 0.2125 0.1227 0.2162 ( 6444 PWs) bands (ev): -25.6300 -25.6300 -25.6300 -25.6300 -9.3190 -9.3190 -9.3190 -9.3190 -9.0653 -9.0653 -9.0653 -9.0653 -9.0431 -9.0431 -9.0431 -9.0431 -4.3967 -4.3967 -4.3967 -4.3967 -2.3394 -2.3394 -2.3394 -2.3394 -2.2160 -2.2160 -2.2160 -2.2160 -2.0247 -2.0247 -2.0247 -2.0247 -1.9198 -1.9198 -1.9198 -1.9198 -1.8122 -1.8122 -1.8122 -1.8122 2.3380 2.3380 2.3380 2.3380 3.1734 3.1734 3.1734 3.1734 4.2665 4.2665 4.2665 4.2665 6.9755 6.9755 6.9755 6.9755 7.9287 7.9287 7.9287 7.9287 8.9795 8.9795 k = 0.2250 0.1299 0.2162 ( 6434 PWs) bands (ev): -25.6298 -25.6298 -25.6298 -25.6298 -9.3200 -9.3200 -9.3200 -9.3200 -9.0664 -9.0664 -9.0664 -9.0664 -9.0440 -9.0440 -9.0440 -9.0440 -4.3683 -4.3683 -4.3683 -4.3683 -2.3364 -2.3364 -2.3364 -2.3364 -2.2162 -2.2162 -2.2162 -2.2162 -2.0203 -2.0203 -2.0203 -2.0203 -1.9203 -1.9203 -1.9203 -1.9203 -1.8094 -1.8094 -1.8094 -1.8094 2.1962 2.1962 2.1962 2.1962 3.2084 3.2084 3.2084 3.2084 4.2150 4.2150 4.2150 4.2150 6.9586 6.9586 6.9586 6.9586 7.8629 7.8629 7.8629 7.8629 9.0073 9.0073 k = 0.2375 0.1371 0.2162 ( 6438 PWs) bands (ev): -25.6296 -25.6296 -25.6296 -25.6296 -9.3211 -9.3211 -9.3211 -9.3211 -9.0676 -9.0676 -9.0676 -9.0676 -9.0449 -9.0449 -9.0449 -9.0449 -4.3391 -4.3391 -4.3391 -4.3391 -2.3333 -2.3333 -2.3333 -2.3333 -2.2163 -2.2163 -2.2163 -2.2163 -2.0159 -2.0159 -2.0159 -2.0159 -1.9208 -1.9208 -1.9208 -1.9208 -1.8064 -1.8064 -1.8064 -1.8064 2.0548 2.0548 2.0548 2.0548 3.2471 3.2471 3.2471 3.2471 4.1648 4.1648 4.1648 4.1648 6.9361 6.9361 6.9361 6.9361 7.7898 7.7898 7.7898 7.7898 9.0386 9.0386 k = 0.2500 0.1443 0.2162 ( 6440 PWs) bands (ev): -25.6294 -25.6294 -25.6294 -25.6294 -9.3221 -9.3221 -9.3221 -9.3221 -9.0690 -9.0690 -9.0690 -9.0690 -9.0456 -9.0456 -9.0456 -9.0456 -4.3093 -4.3093 -4.3093 -4.3093 -2.3301 -2.3301 -2.3301 -2.3301 -2.2162 -2.2162 -2.2162 -2.2162 -2.0113 -2.0113 -2.0113 -2.0113 -1.9213 -1.9213 -1.9213 -1.9213 -1.8030 -1.8030 -1.8030 -1.8030 1.9150 1.9150 1.9150 1.9150 3.2885 3.2885 3.2885 3.2885 4.1161 4.1161 4.1161 4.1161 6.9096 6.9096 6.9096 6.9096 7.7109 7.7109 7.7109 7.7109 9.0742 9.0742 k = 0.2625 0.1516 0.2162 ( 6460 PWs) bands (ev): -25.6293 -25.6293 -25.6293 -25.6293 -9.3233 -9.3233 -9.3233 -9.3233 -9.0705 -9.0705 -9.0705 -9.0705 -9.0461 -9.0461 -9.0461 -9.0461 -4.2790 -4.2790 -4.2790 -4.2790 -2.3268 -2.3268 -2.3268 -2.3268 -2.2159 -2.2159 -2.2159 -2.2159 -2.0066 -2.0066 -2.0066 -2.0066 -1.9218 -1.9218 -1.9218 -1.9218 -1.7992 -1.7992 -1.7992 -1.7992 1.7776 1.7776 1.7776 1.7776 3.3316 3.3316 3.3316 3.3316 4.0693 4.0693 4.0693 4.0693 6.8804 6.8804 6.8804 6.8804 7.6279 7.6279 7.6279 7.6279 9.1143 9.1143 k = 0.2750 0.1588 0.2162 ( 6446 PWs) bands (ev): -25.6291 -25.6291 -25.6291 -25.6291 -9.3244 -9.3244 -9.3244 -9.3244 -9.0720 -9.0720 -9.0720 -9.0720 -9.0466 -9.0466 -9.0466 -9.0466 -4.2483 -4.2483 -4.2483 -4.2483 -2.3235 -2.3235 -2.3235 -2.3235 -2.2155 -2.2155 -2.2155 -2.2155 -2.0019 -2.0019 -2.0019 -2.0019 -1.9221 -1.9221 -1.9221 -1.9221 -1.7949 -1.7949 -1.7949 -1.7949 1.6432 1.6432 1.6432 1.6432 3.3758 3.3758 3.3758 3.3758 4.0250 4.0250 4.0250 4.0250 6.8493 6.8493 6.8493 6.8493 7.5420 7.5420 7.5420 7.5420 9.1587 9.1587 k = 0.2875 0.1660 0.2162 ( 6450 PWs) bands (ev): -25.6289 -25.6289 -25.6289 -25.6289 -9.3255 -9.3255 -9.3255 -9.3255 -9.0735 -9.0735 -9.0735 -9.0735 -9.0469 -9.0469 -9.0469 -9.0469 -4.2175 -4.2175 -4.2175 -4.2175 -2.3201 -2.3201 -2.3201 -2.3201 -2.2148 -2.2148 -2.2148 -2.2148 -1.9971 -1.9971 -1.9971 -1.9971 -1.9224 -1.9224 -1.9224 -1.9224 -1.7902 -1.7902 -1.7902 -1.7902 1.5120 1.5120 1.5120 1.5120 3.4202 3.4202 3.4202 3.4202 3.9835 3.9835 3.9835 3.9835 6.8172 6.8172 6.8172 6.8172 7.4544 7.4544 7.4544 7.4544 9.2071 9.2071 k = 0.3000 0.1732 0.2162 ( 6450 PWs) bands (ev): -25.6287 -25.6287 -25.6287 -25.6287 -9.3267 -9.3267 -9.3267 -9.3267 -9.0751 -9.0751 -9.0751 -9.0751 -9.0471 -9.0471 -9.0471 -9.0471 -4.1867 -4.1867 -4.1867 -4.1867 -2.3167 -2.3167 -2.3167 -2.3167 -2.2139 -2.2139 -2.2139 -2.2139 -1.9924 -1.9924 -1.9924 -1.9924 -1.9226 -1.9226 -1.9226 -1.9226 -1.7848 -1.7848 -1.7848 -1.7848 1.3846 1.3846 1.3846 1.3846 3.4639 3.4639 3.4639 3.4639 3.9459 3.9459 3.9459 3.9459 6.7848 6.7848 6.7848 6.7848 7.3663 7.3663 7.3663 7.3663 9.2592 9.2592 k = 0.3125 0.1804 0.2162 ( 6450 PWs) bands (ev): -25.6286 -25.6286 -25.6286 -25.6286 -9.3278 -9.3278 -9.3278 -9.3278 -9.0767 -9.0767 -9.0767 -9.0767 -9.0473 -9.0473 -9.0473 -9.0473 -4.1563 -4.1563 -4.1563 -4.1563 -2.3134 -2.3134 -2.3134 -2.3134 -2.2127 -2.2127 -2.2127 -2.2127 -1.9877 -1.9877 -1.9877 -1.9877 -1.9227 -1.9227 -1.9227 -1.9227 -1.7789 -1.7789 -1.7789 -1.7789 1.2613 1.2613 1.2613 1.2613 3.5056 3.5056 3.5056 3.5056 3.9131 3.9131 3.9131 3.9131 6.7525 6.7525 6.7525 6.7525 7.2783 7.2783 7.2783 7.2783 9.3146 9.3146 k = 0.3250 0.1876 0.2162 ( 6458 PWs) bands (ev): -25.6284 -25.6284 -25.6284 -25.6284 -9.3289 -9.3289 -9.3289 -9.3289 -9.0783 -9.0783 -9.0783 -9.0783 -9.0474 -9.0474 -9.0474 -9.0474 -4.1263 -4.1263 -4.1263 -4.1263 -2.3102 -2.3102 -2.3102 -2.3102 -2.2114 -2.2114 -2.2114 -2.2114 -1.9832 -1.9832 -1.9832 -1.9832 -1.9227 -1.9227 -1.9227 -1.9227 -1.7723 -1.7723 -1.7723 -1.7723 1.1424 1.1424 1.1424 1.1424 3.5432 3.5432 3.5432 3.5432 3.8872 3.8872 3.8872 3.8872 6.7206 6.7206 6.7206 6.7206 7.1914 7.1914 7.1914 7.1914 9.3729 9.3729 k = 0.3375 0.1949 0.2162 ( 6450 PWs) bands (ev): -25.6283 -25.6283 -25.6283 -25.6283 -9.3300 -9.3300 -9.3300 -9.3300 -9.0798 -9.0798 -9.0798 -9.0798 -9.0475 -9.0475 -9.0475 -9.0475 -4.0970 -4.0970 -4.0970 -4.0970 -2.3071 -2.3071 -2.3071 -2.3071 -2.2097 -2.2097 -2.2097 -2.2097 -1.9788 -1.9788 -1.9788 -1.9788 -1.9226 -1.9226 -1.9226 -1.9226 -1.7650 -1.7650 -1.7650 -1.7650 1.0283 1.0283 1.0283 1.0283 3.5736 3.5736 3.5736 3.5736 3.8708 3.8708 3.8708 3.8708 6.6895 6.6895 6.6895 6.6895 7.1063 7.1063 7.1063 7.1063 9.4338 9.4338 k = 0.3500 0.2021 0.2162 ( 6454 PWs) bands (ev): -25.6281 -25.6281 -25.6281 -25.6281 -9.3311 -9.3311 -9.3311 -9.3311 -9.0813 -9.0813 -9.0813 -9.0813 -9.0475 -9.0475 -9.0475 -9.0475 -4.0686 -4.0686 -4.0686 -4.0686 -2.3042 -2.3042 -2.3042 -2.3042 -2.2079 -2.2079 -2.2079 -2.2079 -1.9746 -1.9746 -1.9746 -1.9746 -1.9224 -1.9224 -1.9224 -1.9224 -1.7571 -1.7571 -1.7571 -1.7571 0.9194 0.9194 0.9194 0.9194 3.5935 3.5935 3.5935 3.5935 3.8671 3.8671 3.8671 3.8671 6.6593 6.6593 6.6593 6.6593 7.0237 7.0237 7.0237 7.0237 9.4969 9.4969 k = 0.3625 0.2093 0.2162 ( 6450 PWs) bands (ev): -25.6280 -25.6280 -25.6280 -25.6280 -9.3322 -9.3322 -9.3322 -9.3322 -9.0827 -9.0827 -9.0827 -9.0827 -9.0475 -9.0475 -9.0475 -9.0475 -4.0414 -4.0414 -4.0414 -4.0414 -2.3015 -2.3015 -2.3015 -2.3015 -2.2058 -2.2058 -2.2058 -2.2058 -1.9707 -1.9707 -1.9707 -1.9707 -1.9221 -1.9221 -1.9221 -1.9221 -1.7485 -1.7485 -1.7485 -1.7485 0.8162 0.8162 0.8162 0.8162 3.6010 3.6010 3.6010 3.6010 3.8777 3.8777 3.8777 3.8777 6.6301 6.6301 6.6301 6.6301 6.9446 6.9446 6.9446 6.9446 9.5618 9.5618 k = 0.3750 0.2165 0.2162 ( 6466 PWs) bands (ev): -25.6279 -25.6279 -25.6279 -25.6279 -9.3332 -9.3332 -9.3332 -9.3332 -9.0840 -9.0840 -9.0840 -9.0840 -9.0474 -9.0474 -9.0474 -9.0474 -4.0157 -4.0157 -4.0157 -4.0157 -2.2991 -2.2991 -2.2991 -2.2991 -2.2037 -2.2037 -2.2037 -2.2037 -1.9672 -1.9672 -1.9672 -1.9672 -1.9218 -1.9218 -1.9218 -1.9218 -1.7394 -1.7394 -1.7394 -1.7394 0.7190 0.7190 0.7190 0.7190 3.5978 3.5978 3.5978 3.5978 3.9004 3.9004 3.9004 3.9004 6.6017 6.6017 6.6017 6.6017 6.8699 6.8699 6.8699 6.8699 9.6280 9.6280 k = 0.3875 0.2237 0.2162 ( 6458 PWs) bands (ev): -25.6277 -25.6277 -25.6277 -25.6277 -9.3341 -9.3341 -9.3341 -9.3341 -9.0852 -9.0852 -9.0852 -9.0852 -9.0474 -9.0474 -9.0474 -9.0474 -3.9915 -3.9915 -3.9915 -3.9915 -2.2968 -2.2968 -2.2968 -2.2968 -2.2014 -2.2014 -2.2014 -2.2014 -1.9639 -1.9639 -1.9639 -1.9639 -1.9213 -1.9213 -1.9213 -1.9213 -1.7297 -1.7297 -1.7297 -1.7297 0.6285 0.6285 0.6285 0.6285 3.5876 3.5876 3.5876 3.5876 3.9311 3.9311 3.9311 3.9311 6.5738 6.5738 6.5738 6.5738 6.8006 6.8006 6.8006 6.8006 9.6952 9.6952 k = 0.4000 0.2309 0.2162 ( 6458 PWs) bands (ev): -25.6276 -25.6276 -25.6276 -25.6276 -9.3349 -9.3349 -9.3349 -9.3349 -9.0863 -9.0863 -9.0863 -9.0863 -9.0473 -9.0473 -9.0473 -9.0473 -3.9692 -3.9692 -3.9692 -3.9692 -2.2949 -2.2949 -2.2949 -2.2949 -2.1991 -2.1991 -2.1991 -2.1991 -1.9611 -1.9611 -1.9611 -1.9611 -1.9208 -1.9208 -1.9208 -1.9208 -1.7198 -1.7198 -1.7198 -1.7198 0.5450 0.5450 0.5450 0.5450 3.5741 3.5741 3.5741 3.5741 3.9655 3.9655 3.9655 3.9655 6.5460 6.5460 6.5460 6.5460 6.7382 6.7382 6.7382 6.7382 9.7626 9.7626 k = 0.4125 0.2382 0.2162 ( 6458 PWs) bands (ev): -25.6275 -25.6275 -25.6275 -25.6275 -9.3357 -9.3357 -9.3357 -9.3357 -9.0873 -9.0873 -9.0873 -9.0873 -9.0472 -9.0472 -9.0472 -9.0472 -3.9490 -3.9490 -3.9490 -3.9490 -2.2932 -2.2932 -2.2932 -2.2932 -2.1968 -2.1968 -2.1968 -2.1968 -1.9586 -1.9586 -1.9586 -1.9586 -1.9202 -1.9202 -1.9202 -1.9202 -1.7098 -1.7098 -1.7098 -1.7098 0.4693 0.4693 0.4693 0.4693 3.5596 3.5596 3.5596 3.5596 4.0008 4.0008 4.0008 4.0008 6.5176 6.5176 6.5176 6.5176 6.6841 6.6841 6.6841 6.6841 9.8297 9.8297 k = 0.4250 0.2454 0.2162 ( 6460 PWs) bands (ev): -25.6274 -25.6274 -25.6274 -25.6274 -9.3364 -9.3364 -9.3364 -9.3364 -9.0882 -9.0882 -9.0882 -9.0882 -9.0472 -9.0472 -9.0472 -9.0472 -3.9310 -3.9310 -3.9310 -3.9310 -2.2918 -2.2918 -2.2918 -2.2918 -2.1946 -2.1946 -2.1946 -2.1946 -1.9565 -1.9565 -1.9565 -1.9565 -1.9197 -1.9197 -1.9197 -1.9197 -1.7000 -1.7000 -1.7000 -1.7000 0.4020 0.4020 0.4020 0.4020 3.5456 3.5456 3.5456 3.5456 4.0350 4.0350 4.0350 4.0350 6.4881 6.4881 6.4881 6.4881 6.6397 6.6397 6.6397 6.6397 9.8953 9.8953 k = 0.4375 0.2526 0.2162 ( 6472 PWs) bands (ev): -25.6274 -25.6274 -25.6274 -25.6274 -9.3370 -9.3370 -9.3370 -9.3370 -9.0889 -9.0889 -9.0889 -9.0889 -9.0471 -9.0471 -9.0471 -9.0471 -3.9155 -3.9155 -3.9155 -3.9155 -2.2906 -2.2906 -2.2906 -2.2906 -2.1927 -2.1927 -2.1927 -2.1927 -1.9548 -1.9548 -1.9548 -1.9548 -1.9191 -1.9191 -1.9191 -1.9191 -1.6908 -1.6908 -1.6908 -1.6908 0.3435 0.3435 0.3435 0.3435 3.5329 3.5329 3.5329 3.5329 4.0663 4.0663 4.0663 4.0663 6.4580 6.4580 6.4580 6.4580 6.6053 6.6053 6.6053 6.6053 9.9584 9.9584 k = 0.4500 0.2598 0.2162 ( 6476 PWs) bands (ev): -25.6273 -25.6273 -25.6273 -25.6273 -9.3375 -9.3375 -9.3375 -9.3375 -9.0896 -9.0896 -9.0896 -9.0896 -9.0471 -9.0471 -9.0471 -9.0471 -3.9026 -3.9026 -3.9026 -3.9026 -2.2896 -2.2896 -2.2896 -2.2896 -2.1910 -2.1910 -2.1910 -2.1910 -1.9535 -1.9535 -1.9535 -1.9535 -1.9186 -1.9186 -1.9186 -1.9186 -1.6825 -1.6825 -1.6825 -1.6825 0.2947 0.2947 0.2947 0.2947 3.5220 3.5220 3.5220 3.5220 4.0937 4.0937 4.0937 4.0937 6.4292 6.4292 6.4292 6.4292 6.5799 6.5799 6.5799 6.5799 10.0172 10.0172 k = 0.4625 0.2670 0.2162 ( 6474 PWs) bands (ev): -25.6273 -25.6273 -25.6273 -25.6273 -9.3379 -9.3379 -9.3379 -9.3379 -9.0900 -9.0900 -9.0900 -9.0900 -9.0470 -9.0470 -9.0470 -9.0470 -3.8924 -3.8924 -3.8924 -3.8924 -2.2889 -2.2889 -2.2889 -2.2889 -2.1896 -2.1896 -2.1896 -2.1896 -1.9524 -1.9524 -1.9524 -1.9524 -1.9182 -1.9182 -1.9182 -1.9182 -1.6756 -1.6756 -1.6756 -1.6756 0.2559 0.2559 0.2559 0.2559 3.5133 3.5133 3.5133 3.5133 4.1161 4.1161 4.1161 4.1161 6.4039 6.4039 6.4039 6.4039 6.5621 6.5621 6.5621 6.5621 10.0692 10.0692 k = 0.4750 0.2742 0.2162 ( 6480 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3382 -9.3382 -9.3382 -9.3382 -9.0904 -9.0904 -9.0904 -9.0904 -9.0470 -9.0470 -9.0470 -9.0470 -3.8851 -3.8851 -3.8851 -3.8851 -2.2884 -2.2884 -2.2884 -2.2884 -2.1885 -2.1885 -2.1885 -2.1885 -1.9517 -1.9517 -1.9517 -1.9517 -1.9179 -1.9179 -1.9179 -1.9179 -1.6703 -1.6703 -1.6703 -1.6703 0.2278 0.2278 0.2278 0.2278 3.5069 3.5069 3.5069 3.5069 4.1328 4.1328 4.1328 4.1328 6.3844 6.3844 6.3844 6.3844 6.5502 6.5502 6.5502 6.5502 10.1113 10.1113 k = 0.4875 0.2815 0.2162 ( 6480 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3383 -9.3383 -9.3383 -9.3383 -9.0906 -9.0906 -9.0906 -9.0906 -9.0470 -9.0470 -9.0470 -9.0470 -3.8806 -3.8806 -3.8806 -3.8806 -2.2881 -2.2881 -2.2881 -2.2881 -2.1879 -2.1879 -2.1879 -2.1879 -1.9513 -1.9513 -1.9513 -1.9513 -1.9177 -1.9177 -1.9177 -1.9177 -1.6670 -1.6670 -1.6670 -1.6670 0.2108 0.2108 0.2108 0.2108 3.5031 3.5031 3.5031 3.5031 4.1430 4.1430 4.1430 4.1430 6.3721 6.3721 6.3721 6.3721 6.5435 6.5435 6.5435 6.5435 10.1392 10.1392 k = 0.5000 0.2887 0.2162 ( 6484 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3384 -9.3384 -9.3384 -9.3384 -9.0907 -9.0907 -9.0907 -9.0907 -9.0470 -9.0470 -9.0470 -9.0470 -3.8791 -3.8791 -3.8791 -3.8791 -2.2880 -2.2880 -2.2880 -2.2880 -2.1877 -2.1877 -2.1877 -2.1877 -1.9511 -1.9511 -1.9511 -1.9511 -1.9176 -1.9176 -1.9176 -1.9176 -1.6659 -1.6659 -1.6659 -1.6659 0.2051 0.2051 0.2051 0.2051 3.5018 3.5018 3.5018 3.5018 4.1464 4.1464 4.1464 4.1464 6.3679 6.3679 6.3679 6.3679 6.5413 6.5413 6.5413 6.5413 10.1490 10.1490 k = 0.5000 0.2887 0.2162 ( 6484 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3384 -9.3384 -9.3384 -9.3384 -9.0907 -9.0907 -9.0907 -9.0907 -9.0470 -9.0470 -9.0470 -9.0470 -3.8791 -3.8791 -3.8791 -3.8791 -2.2880 -2.2880 -2.2880 -2.2880 -2.1877 -2.1877 -2.1877 -2.1877 -1.9511 -1.9511 -1.9511 -1.9511 -1.9176 -1.9176 -1.9176 -1.9176 -1.6659 -1.6659 -1.6659 -1.6659 0.2051 0.2051 0.2051 0.2051 3.5018 3.5018 3.5018 3.5018 4.1464 4.1464 4.1464 4.1464 6.3679 6.3679 6.3679 6.3679 6.5413 6.5413 6.5413 6.5413 10.1490 10.1490 k = 0.4931 0.3007 0.2162 ( 6484 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3384 -9.3384 -9.3383 -9.3383 -9.0907 -9.0907 -9.0906 -9.0906 -9.0470 -9.0470 -9.0470 -9.0470 -3.8798 -3.8798 -3.8776 -3.8776 -2.2888 -2.2888 -2.2872 -2.2872 -2.1953 -2.1953 -2.1799 -2.1799 -1.9519 -1.9519 -1.9504 -1.9504 -1.9182 -1.9182 -1.9171 -1.9171 -1.6714 -1.6714 -1.6600 -1.6600 0.2027 0.2027 0.2084 0.2084 3.4822 3.4822 3.5046 3.5046 4.1441 4.1441 4.1488 4.1488 6.3675 6.3675 6.3691 6.3691 6.5478 6.5478 6.5600 6.5600 10.1488 10.1491 k = 0.4861 0.3127 0.2162 ( 6472 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3385 -9.3385 -9.3383 -9.3383 -9.0907 -9.0907 -9.0905 -9.0905 -9.0471 -9.0471 -9.0471 -9.0471 -3.8797 -3.8797 -3.8753 -3.8753 -2.2897 -2.2897 -2.2864 -2.2864 -2.2027 -2.2027 -2.1718 -2.1718 -1.9528 -1.9528 -1.9496 -1.9496 -1.9189 -1.9189 -1.9167 -1.9167 -1.6763 -1.6763 -1.6536 -1.6536 0.2011 0.2011 0.2126 0.2126 3.4466 3.4466 3.4905 3.4905 4.1422 4.1422 4.1513 4.1513 6.3681 6.3681 6.3706 6.3706 6.5792 6.5792 6.6036 6.6036 10.1487 10.1489 k = 0.4792 0.3248 0.2162 ( 6466 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3385 -9.3385 -9.3382 -9.3382 -9.0907 -9.0907 -9.0904 -9.0904 -9.0474 -9.0474 -9.0474 -9.0474 -3.8788 -3.8788 -3.8722 -3.8722 -2.2905 -2.2905 -2.2856 -2.2856 -2.2099 -2.2099 -2.1637 -2.1637 -1.9536 -1.9536 -1.9489 -1.9489 -1.9196 -1.9196 -1.9163 -1.9163 -1.6807 -1.6807 -1.6467 -1.6467 0.2003 0.2003 0.2177 0.2177 3.3964 3.3964 3.4603 3.4603 4.1412 4.1412 4.1540 4.1540 6.3692 6.3692 6.3722 6.3722 6.6344 6.6344 6.6708 6.6708 10.1486 10.1492 k = 0.4722 0.3368 0.2162 ( 6472 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3385 -9.3385 -9.3382 -9.3382 -9.0907 -9.0907 -9.0903 -9.0903 -9.0477 -9.0477 -9.0477 -9.0477 -3.8772 -3.8772 -3.8684 -3.8684 -2.2914 -2.2914 -2.2849 -2.2849 -2.2168 -2.2168 -2.1554 -2.1554 -1.9544 -1.9544 -1.9482 -1.9482 -1.9204 -1.9204 -1.9161 -1.9161 -1.6846 -1.6846 -1.6395 -1.6395 0.2002 0.2002 0.2236 0.2236 3.3334 3.3334 3.4154 3.4154 4.1416 4.1416 4.1574 4.1574 6.3706 6.3706 6.3736 6.3736 6.7118 6.7118 6.7593 6.7593 10.1481 10.1482 k = 0.4653 0.3488 0.2162 ( 6462 PWs) bands (ev): -25.6271 -25.6271 -25.6271 -25.6271 -9.3386 -9.3386 -9.3381 -9.3381 -9.0907 -9.0907 -9.0902 -9.0902 -9.0481 -9.0481 -9.0481 -9.0481 -3.8748 -3.8748 -3.8638 -3.8638 -2.2922 -2.2922 -2.2842 -2.2842 -2.2233 -2.2233 -2.1470 -2.1470 -1.9553 -1.9553 -1.9476 -1.9476 -1.9212 -1.9212 -1.9160 -1.9160 -1.6879 -1.6879 -1.6318 -1.6318 0.2008 0.2008 0.2303 0.2303 3.2599 3.2599 3.3579 3.3579 4.1439 4.1439 4.1618 4.1618 6.3720 6.3720 6.3750 6.3750 6.8091 6.8091 6.8665 6.8665 10.1475 10.1487 k = 0.4583 0.3608 0.2162 ( 6450 PWs) bands (ev): -25.6271 -25.6271 -25.6271 -25.6271 -9.3386 -9.3386 -9.3381 -9.3381 -9.0906 -9.0906 -9.0900 -9.0900 -9.0486 -9.0486 -9.0486 -9.0486 -3.8717 -3.8717 -3.8586 -3.8586 -2.2930 -2.2930 -2.2835 -2.2835 -2.2296 -2.2296 -2.1384 -2.1384 -1.9561 -1.9561 -1.9470 -1.9470 -1.9220 -1.9220 -1.9159 -1.9159 -1.6907 -1.6907 -1.6238 -1.6238 0.2020 0.2020 0.2377 0.2377 3.1781 3.1781 3.2902 3.2902 4.1481 4.1481 4.1674 4.1674 6.3733 6.3733 6.3762 6.3762 6.9237 6.9237 6.9900 6.9900 10.1467 10.1469 k = 0.4514 0.3729 0.2162 ( 6440 PWs) bands (ev): -25.6271 -25.6271 -25.6271 -25.6271 -9.3386 -9.3386 -9.3380 -9.3380 -9.0906 -9.0906 -9.0898 -9.0898 -9.0492 -9.0492 -9.0492 -9.0492 -3.8679 -3.8679 -3.8527 -3.8527 -2.2938 -2.2938 -2.2830 -2.2830 -2.2355 -2.2355 -2.1299 -2.1299 -1.9570 -1.9570 -1.9464 -1.9464 -1.9229 -1.9229 -1.9160 -1.9160 -1.6929 -1.6929 -1.6154 -1.6154 0.2036 0.2036 0.2458 0.2458 3.0902 3.0902 3.2148 3.2148 4.1542 4.1542 4.1744 4.1744 6.3745 6.3745 6.3773 6.3773 7.0531 7.0531 7.1273 7.1273 10.1447 10.1464 k = 0.4444 0.3849 0.2162 ( 6444 PWs) bands (ev): -25.6270 -25.6270 -25.6270 -25.6270 -9.3386 -9.3386 -9.3380 -9.3380 -9.0905 -9.0905 -9.0897 -9.0897 -9.0499 -9.0499 -9.0498 -9.0498 -3.8636 -3.8636 -3.8463 -3.8463 -2.2945 -2.2945 -2.2825 -2.2825 -2.2411 -2.2411 -2.1213 -2.1213 -1.9578 -1.9578 -1.9459 -1.9459 -1.9238 -1.9238 -1.9162 -1.9162 -1.6946 -1.6946 -1.6069 -1.6069 0.2056 0.2056 0.2543 0.2543 2.9982 2.9982 3.1340 3.1340 4.1620 4.1620 4.1826 4.1826 6.3753 6.3753 6.3781 6.3781 7.1950 7.1950 7.2763 7.2763 10.1369 10.1371 k = 0.4375 0.3969 0.2162 ( 6444 PWs) bands (ev): -25.6270 -25.6270 -25.6270 -25.6270 -9.3387 -9.3387 -9.3379 -9.3379 -9.0905 -9.0905 -9.0895 -9.0895 -9.0505 -9.0505 -9.0505 -9.0505 -3.8588 -3.8588 -3.8394 -3.8394 -2.2953 -2.2953 -2.2821 -2.2821 -2.2463 -2.2463 -2.1128 -2.1128 -1.9587 -1.9587 -1.9454 -1.9454 -1.9246 -1.9246 -1.9165 -1.9165 -1.6958 -1.6958 -1.5981 -1.5981 0.2077 0.2077 0.2633 0.2633 2.9039 2.9039 3.0501 3.0501 4.1715 4.1715 4.1922 4.1922 6.3758 6.3758 6.3785 6.3785 7.3472 7.3472 7.4352 7.4352 10.1060 10.1060 k = 0.4306 0.4090 0.2162 ( 6450 PWs) bands (ev): -25.6270 -25.6270 -25.6270 -25.6270 -9.3387 -9.3387 -9.3379 -9.3379 -9.0904 -9.0904 -9.0894 -9.0894 -9.0513 -9.0513 -9.0512 -9.0512 -3.8535 -3.8535 -3.8321 -3.8321 -2.2959 -2.2959 -2.2818 -2.2818 -2.2510 -2.2510 -2.1043 -2.1043 -1.9596 -1.9596 -1.9450 -1.9450 -1.9255 -1.9255 -1.9169 -1.9169 -1.6965 -1.6965 -1.5891 -1.5891 0.2099 0.2099 0.2724 0.2724 2.8090 2.8090 2.9649 2.9649 4.1823 4.1823 4.2030 4.2030 6.3757 6.3757 6.3784 6.3784 7.5080 7.5080 7.6023 7.6023 10.0450 10.0450 k = 0.4236 0.4210 0.2162 ( 6446 PWs) bands (ev): -25.6269 -25.6269 -25.6269 -25.6269 -9.3388 -9.3388 -9.3379 -9.3379 -9.0904 -9.0904 -9.0892 -9.0892 -9.0520 -9.0520 -9.0519 -9.0519 -3.8478 -3.8478 -3.8244 -3.8244 -2.2966 -2.2966 -2.2816 -2.2816 -2.2553 -2.2553 -2.0959 -2.0959 -1.9604 -1.9604 -1.9446 -1.9446 -1.9263 -1.9263 -1.9173 -1.9173 -1.6967 -1.6967 -1.5800 -1.5800 0.2119 0.2119 0.2816 0.2816 2.7150 2.7150 2.8801 2.8801 4.1942 4.1942 4.2148 4.2148 6.3750 6.3750 6.3777 6.3777 7.6755 7.6755 7.7761 7.7761 9.9775 9.9777 k = 0.4167 0.4330 0.2162 ( 6444 PWs) bands (ev): -25.6269 -25.6269 -25.6269 -25.6269 -9.3388 -9.3388 -9.3379 -9.3379 -9.0903 -9.0903 -9.0891 -9.0891 -9.0527 -9.0527 -9.0526 -9.0526 -3.8418 -3.8418 -3.8166 -3.8166 -2.2972 -2.2972 -2.2816 -2.2816 -2.2592 -2.2592 -2.0877 -2.0877 -1.9613 -1.9613 -1.9443 -1.9443 -1.9270 -1.9270 -1.9178 -1.9178 -1.6964 -1.6964 -1.5708 -1.5708 0.2137 0.2137 0.2907 0.2907 2.6232 2.6232 2.7971 2.7971 4.2071 4.2071 4.2275 4.2275 6.3736 6.3736 6.3762 6.3762 7.8482 7.8482 7.9553 7.9553 9.9115 9.9119 k = 0.4097 0.4450 0.2162 ( 6448 PWs) bands (ev): -25.6269 -25.6269 -25.6269 -25.6269 -9.3389 -9.3389 -9.3378 -9.3378 -9.0903 -9.0903 -9.0889 -9.0889 -9.0535 -9.0535 -9.0533 -9.0533 -3.8356 -3.8356 -3.8086 -3.8086 -2.2977 -2.2977 -2.2818 -2.2818 -2.2625 -2.2625 -2.0796 -2.0796 -1.9622 -1.9622 -1.9441 -1.9441 -1.9278 -1.9278 -1.9184 -1.9184 -1.6956 -1.6956 -1.5617 -1.5617 0.2149 0.2149 0.2993 0.2993 2.5347 2.5347 2.7171 2.7171 4.2207 4.2207 4.2409 4.2409 6.3714 6.3714 6.3740 6.3740 8.0245 8.0245 8.1386 8.1386 9.8490 9.8491 k = 0.4028 0.4571 0.2162 ( 6440 PWs) bands (ev): -25.6268 -25.6268 -25.6268 -25.6268 -9.3389 -9.3389 -9.3378 -9.3378 -9.0903 -9.0903 -9.0888 -9.0888 -9.0541 -9.0541 -9.0540 -9.0540 -3.8294 -3.8294 -3.8006 -3.8006 -2.2982 -2.2982 -2.2821 -2.2821 -2.2653 -2.2653 -2.0718 -2.0718 -1.9630 -1.9630 -1.9439 -1.9439 -1.9284 -1.9284 -1.9190 -1.9190 -1.6945 -1.6945 -1.5526 -1.5526 0.2156 0.2156 0.3073 0.3073 2.4506 2.4506 2.6413 2.6413 4.2348 4.2348 4.2547 4.2547 6.3683 6.3683 6.3709 6.3709 8.2028 8.2028 8.3244 8.3244 9.7909 9.7909 k = 0.3958 0.4691 0.2162 ( 6444 PWs) bands (ev): -25.6268 -25.6268 -25.6268 -25.6268 -9.3390 -9.3390 -9.3379 -9.3379 -9.0903 -9.0903 -9.0887 -9.0887 -9.0548 -9.0548 -9.0546 -9.0546 -3.8232 -3.8232 -3.7927 -3.7927 -2.2987 -2.2987 -2.2826 -2.2826 -2.2676 -2.2676 -2.0643 -2.0643 -1.9638 -1.9638 -1.9437 -1.9437 -1.9290 -1.9290 -1.9197 -1.9197 -1.6931 -1.6931 -1.5438 -1.5438 0.2155 0.2155 0.3144 0.3144 2.3720 2.3720 2.5705 2.5705 4.2491 4.2491 4.2688 4.2688 6.3643 6.3643 6.3670 6.3670 8.3811 8.3811 8.5113 8.5113 9.7377 9.7377 k = 0.3889 0.4811 0.2162 ( 6436 PWs) bands (ev): -25.6268 -25.6268 -25.6268 -25.6268 -9.3390 -9.3390 -9.3379 -9.3379 -9.0903 -9.0903 -9.0887 -9.0887 -9.0554 -9.0554 -9.0552 -9.0552 -3.8171 -3.8171 -3.7851 -3.7851 -2.2990 -2.2990 -2.2832 -2.2832 -2.2694 -2.2694 -2.0573 -2.0573 -1.9646 -1.9646 -1.9436 -1.9436 -1.9295 -1.9295 -1.9203 -1.9203 -1.6913 -1.6913 -1.5352 -1.5352 0.2145 0.2145 0.3204 0.3204 2.2996 2.2996 2.5057 2.5057 4.2634 4.2634 4.2829 4.2829 6.3596 6.3596 6.3622 6.3622 8.5573 8.5573 8.6973 8.6973 9.6896 9.6896 k = 0.3819 0.4932 0.2162 ( 6436 PWs) bands (ev): -25.6267 -25.6267 -25.6267 -25.6267 -9.3391 -9.3391 -9.3379 -9.3379 -9.0904 -9.0904 -9.0886 -9.0886 -9.0560 -9.0560 -9.0557 -9.0557 -3.8112 -3.8112 -3.7778 -3.7778 -2.2994 -2.2994 -2.2839 -2.2839 -2.2708 -2.2708 -2.0507 -2.0507 -1.9653 -1.9653 -1.9435 -1.9435 -1.9299 -1.9299 -1.9209 -1.9209 -1.6894 -1.6894 -1.5271 -1.5271 0.2127 0.2127 0.3252 0.3252 2.2344 2.2344 2.4474 2.4474 4.2773 4.2773 4.2966 4.2966 6.3541 6.3541 6.3567 6.3567 8.7287 8.7287 8.8798 8.8798 9.6469 9.6469 k = 0.3750 0.5052 0.2162 ( 6440 PWs) bands (ev): -25.6267 -25.6267 -25.6267 -25.6267 -9.3392 -9.3392 -9.3379 -9.3379 -9.0904 -9.0904 -9.0886 -9.0886 -9.0565 -9.0565 -9.0562 -9.0562 -3.8058 -3.8058 -3.7711 -3.7711 -2.2996 -2.2996 -2.2846 -2.2846 -2.2719 -2.2719 -2.0447 -2.0447 -1.9659 -1.9659 -1.9435 -1.9435 -1.9303 -1.9303 -1.9215 -1.9215 -1.6873 -1.6873 -1.5196 -1.5196 0.2101 0.2101 0.3286 0.3286 2.1769 2.1769 2.3962 2.3962 4.2905 4.2905 4.3098 4.3098 6.3482 6.3482 6.3508 6.3508 8.8918 8.8918 9.0549 9.0549 9.6097 9.6097 k = 0.3681 0.5172 0.2162 ( 6440 PWs) bands (ev): -25.6267 -25.6267 -25.6267 -25.6267 -9.3392 -9.3392 -9.3380 -9.3380 -9.0905 -9.0905 -9.0886 -9.0886 -9.0569 -9.0569 -9.0565 -9.0565 -3.8008 -3.8008 -3.7650 -3.7650 -2.2999 -2.2999 -2.2852 -2.2852 -2.2727 -2.2727 -2.0395 -2.0395 -1.9665 -1.9665 -1.9435 -1.9435 -1.9306 -1.9306 -1.9221 -1.9221 -1.6852 -1.6852 -1.5127 -1.5127 0.2069 0.2069 0.3306 0.3306 2.1278 2.1278 2.3527 2.3527 4.3028 4.3028 4.3219 4.3219 6.3420 6.3420 6.3446 6.3446 9.0421 9.0421 9.2166 9.2166 9.5779 9.5779 k = 0.3611 0.5292 0.2162 ( 6452 PWs) bands (ev): -25.6267 -25.6267 -25.6267 -25.6267 -9.3393 -9.3393 -9.3380 -9.3380 -9.0906 -9.0906 -9.0887 -9.0887 -9.0572 -9.0572 -9.0569 -9.0569 -3.7965 -3.7965 -3.7598 -3.7598 -2.3001 -2.3001 -2.2857 -2.2857 -2.2734 -2.2734 -2.0350 -2.0350 -1.9669 -1.9669 -1.9435 -1.9435 -1.9308 -1.9308 -1.9226 -1.9226 -1.6832 -1.6832 -1.5067 -1.5067 0.2032 0.2032 0.3313 0.3313 2.0875 2.0875 2.3169 2.3169 4.3136 4.3136 4.3327 4.3327 6.3359 6.3359 6.3384 6.3384 9.1744 9.1744 9.3538 9.3538 9.5513 9.5513 k = 0.3542 0.5413 0.2162 ( 6450 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3380 -9.3380 -9.0906 -9.0906 -9.0887 -9.0887 -9.0575 -9.0575 -9.0571 -9.0571 -3.7929 -3.7929 -3.7555 -3.7555 -2.3002 -2.3002 -2.2860 -2.2860 -2.2740 -2.2740 -2.0315 -2.0315 -1.9672 -1.9672 -1.9435 -1.9435 -1.9310 -1.9310 -1.9230 -1.9230 -1.6814 -1.6814 -1.5018 -1.5018 0.1994 0.1994 0.3310 0.3310 2.0562 2.0562 2.2893 2.2893 4.3228 4.3228 4.3418 4.3418 6.3303 6.3303 6.3328 6.3328 9.2830 9.2830 9.4448 9.4448 9.5298 9.5298 k = 0.3472 0.5533 0.2162 ( 6446 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0907 -9.0907 -9.0887 -9.0887 -9.0576 -9.0576 -9.0573 -9.0573 -3.7902 -3.7902 -3.7522 -3.7522 -2.3003 -2.3003 -2.2861 -2.2861 -2.2744 -2.2744 -2.0289 -2.0289 -1.9674 -1.9674 -1.9435 -1.9435 -1.9311 -1.9311 -1.9233 -1.9233 -1.6799 -1.6799 -1.4980 -1.4980 0.1960 0.1960 0.3300 0.3300 2.0341 2.0341 2.2697 2.2697 4.3298 4.3298 4.3488 4.3488 6.3256 6.3256 6.3281 6.3281 9.3632 9.3632 9.4774 9.4774 9.5130 9.5130 k = 0.3403 0.5653 0.2162 ( 6446 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0907 -9.0907 -9.0887 -9.0887 -9.0577 -9.0577 -9.0574 -9.0574 -3.7884 -3.7884 -3.7502 -3.7502 -2.3003 -2.3003 -2.2862 -2.2862 -2.2747 -2.2747 -2.0273 -2.0273 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9235 -1.9235 -1.6790 -1.6790 -1.4956 -1.4956 0.1935 0.1935 0.3289 0.3289 2.0210 2.0210 2.2580 2.2580 4.3342 4.3342 4.3532 4.3532 6.3225 6.3225 6.3249 6.3249 9.4117 9.4117 9.4831 9.4831 9.5018 9.5018 k = 0.3333 0.5774 0.2162 ( 6456 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0908 -9.0908 -9.0888 -9.0888 -9.0578 -9.0578 -9.0574 -9.0574 -3.7878 -3.7878 -3.7494 -3.7494 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0268 -2.0268 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9236 -1.9236 -1.6786 -1.6786 -1.4948 -1.4948 0.1925 0.1925 0.3284 0.3284 2.0167 2.0167 2.2542 2.2542 4.3358 4.3358 4.3548 4.3548 6.3213 6.3213 6.3237 6.3237 9.4273 9.4273 9.4834 9.4834 9.4980 9.4980 k = 0.3333 0.5774 0.2162 ( 6456 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0908 -9.0908 -9.0888 -9.0888 -9.0578 -9.0578 -9.0574 -9.0574 -3.7878 -3.7878 -3.7494 -3.7494 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0268 -2.0268 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9236 -1.9236 -1.6786 -1.6786 -1.4948 -1.4948 0.1925 0.1925 0.3284 0.3284 2.0167 2.0167 2.2542 2.2542 4.3358 4.3358 4.3548 4.3548 6.3213 6.3213 6.3237 6.3237 9.4273 9.4273 9.4834 9.4834 9.4980 9.4980 k = 0.3262 0.5651 0.2162 ( 6444 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0907 -9.0907 -9.0887 -9.0887 -9.0577 -9.0577 -9.0574 -9.0574 -3.7885 -3.7885 -3.7502 -3.7502 -2.3003 -2.3003 -2.2862 -2.2862 -2.2746 -2.2746 -2.0273 -2.0273 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9235 -1.9235 -1.6790 -1.6790 -1.4957 -1.4957 0.1938 0.1938 0.3292 0.3292 2.0210 2.0210 2.2581 2.2581 4.3341 4.3341 4.3531 4.3531 6.3227 6.3227 6.3251 6.3251 9.4145 9.4145 9.4840 9.4840 9.5000 9.5000 k = 0.3191 0.5528 0.2162 ( 6440 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0907 -9.0907 -9.0887 -9.0887 -9.0576 -9.0576 -9.0573 -9.0573 -3.7906 -3.7906 -3.7526 -3.7526 -2.3003 -2.3003 -2.2864 -2.2864 -2.2742 -2.2742 -2.0289 -2.0289 -1.9676 -1.9676 -1.9435 -1.9435 -1.9311 -1.9311 -1.9233 -1.9233 -1.6803 -1.6803 -1.4985 -1.4985 0.1980 0.1980 0.3323 0.3323 2.0337 2.0337 2.2695 2.2695 4.3286 4.3286 4.3476 4.3476 6.3273 6.3273 6.3298 6.3298 9.3821 9.3821 9.4862 9.4862 9.5033 9.5033 k = 0.3121 0.5405 0.2162 ( 6436 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3393 -9.3393 -9.3380 -9.3380 -9.0905 -9.0905 -9.0886 -9.0886 -9.0575 -9.0575 -9.0571 -9.0571 -3.7941 -3.7941 -3.7568 -3.7568 -2.3002 -2.3002 -2.2868 -2.2868 -2.2734 -2.2734 -2.0314 -2.0314 -1.9678 -1.9678 -1.9435 -1.9435 -1.9310 -1.9310 -1.9231 -1.9231 -1.6825 -1.6825 -1.5033 -1.5033 0.2059 0.2059 0.3383 0.3383 2.0541 2.0541 2.2879 2.2879 4.3191 4.3191 4.3381 4.3381 6.3357 6.3357 6.3382 6.3382 9.3353 9.3353 9.4903 9.4903 9.5074 9.5074 k = 0.3050 0.5282 0.2162 ( 6436 PWs) bands (ev): -25.6267 -25.6267 -25.6267 -25.6267 -9.3392 -9.3392 -9.3379 -9.3379 -9.0904 -9.0904 -9.0884 -9.0884 -9.0573 -9.0573 -9.0570 -9.0570 -3.7993 -3.7993 -3.7627 -3.7627 -2.3002 -2.3002 -2.2874 -2.2874 -2.2722 -2.2722 -2.0349 -2.0349 -1.9682 -1.9682 -1.9435 -1.9435 -1.9309 -1.9309 -1.9227 -1.9227 -1.6858 -1.6858 -1.5102 -1.5102 0.2180 0.2180 0.3483 0.3483 2.0817 2.0817 2.3131 2.3131 4.3055 4.3055 4.3245 4.3245 6.3482 6.3482 6.3509 6.3509 9.2777 9.2777 9.4951 9.4951 9.5127 9.5127 k = 0.2979 0.5159 0.2162 ( 6430 PWs) bands (ev): -25.6267 -25.6267 -25.6267 -25.6267 -9.3390 -9.3390 -9.3377 -9.3377 -9.0901 -9.0901 -9.0882 -9.0882 -9.0571 -9.0571 -9.0567 -9.0567 -3.8061 -3.8061 -3.7706 -3.7706 -2.3001 -2.3001 -2.2884 -2.2884 -2.2707 -2.2707 -2.0393 -2.0393 -1.9689 -1.9689 -1.9436 -1.9436 -1.9307 -1.9307 -1.9224 -1.9224 -1.6900 -1.6900 -1.5190 -1.5190 0.2351 0.2351 0.3627 0.3627 2.1158 2.1158 2.3444 2.3444 4.2876 4.2876 4.3065 4.3065 6.3652 6.3652 6.3681 6.3681 9.2120 9.2120 9.4628 9.4628 9.5061 9.5061 k = 0.2908 0.5036 0.2162 ( 6430 PWs) bands (ev): -25.6267 -25.6267 -25.6267 -25.6267 -9.3388 -9.3388 -9.3375 -9.3375 -9.0898 -9.0898 -9.0879 -9.0879 -9.0568 -9.0568 -9.0565 -9.0565 -3.8147 -3.8147 -3.7803 -3.7803 -2.3000 -2.3000 -2.2895 -2.2895 -2.2690 -2.2690 -2.0446 -2.0446 -1.9698 -1.9698 -1.9437 -1.9437 -1.9306 -1.9306 -1.9221 -1.9221 -1.6951 -1.6951 -1.5297 -1.5297 0.2574 0.2574 0.3823 0.3823 2.1560 2.1560 2.3816 2.3816 4.2654 4.2654 4.2844 4.2844 6.3870 6.3870 6.3901 6.3901 9.1408 9.1408 9.3848 9.3848 9.5126 9.5127 k = 0.2837 0.4914 0.2162 ( 6426 PWs) bands (ev): -25.6268 -25.6268 -25.6268 -25.6268 -9.3385 -9.3385 -9.3373 -9.3373 -9.0893 -9.0893 -9.0876 -9.0876 -9.0565 -9.0565 -9.0562 -9.0562 -3.8250 -3.8250 -3.7921 -3.7921 -2.3000 -2.3000 -2.2908 -2.2908 -2.2671 -2.2671 -2.0507 -2.0507 -1.9709 -1.9709 -1.9439 -1.9439 -1.9304 -1.9304 -1.9218 -1.9218 -1.7010 -1.7010 -1.5422 -1.5422 0.2854 0.2854 0.4075 0.4075 2.2016 2.2016 2.4240 2.4240 4.2391 4.2391 4.2581 4.2581 6.4137 6.4137 6.4171 6.4171 9.0659 9.0659 9.3027 9.3027 9.5203 9.5203 k = 0.2766 0.4791 0.2162 ( 6420 PWs) bands (ev): -25.6268 -25.6268 -25.6268 -25.6268 -9.3382 -9.3382 -9.3370 -9.3370 -9.0888 -9.0888 -9.0871 -9.0871 -9.0562 -9.0562 -9.0559 -9.0559 -3.8372 -3.8372 -3.8058 -3.8058 -2.3000 -2.3000 -2.2923 -2.2923 -2.2651 -2.2651 -2.0575 -2.0575 -1.9722 -1.9722 -1.9442 -1.9442 -1.9301 -1.9301 -1.9216 -1.9216 -1.7076 -1.7076 -1.5562 -1.5562 0.3193 0.3193 0.4385 0.4385 2.2523 2.2523 2.4714 2.4714 4.2089 4.2089 4.2278 4.2278 6.4454 6.4454 6.4491 6.4491 8.9886 8.9886 9.2189 9.2189 9.5277 9.5278 k = 0.2695 0.4668 0.2162 ( 6420 PWs) bands (ev): -25.6269 -25.6269 -25.6269 -25.6269 -9.3378 -9.3378 -9.3366 -9.3366 -9.0883 -9.0883 -9.0866 -9.0866 -9.0559 -9.0559 -9.0556 -9.0556 -3.8513 -3.8513 -3.8214 -3.8214 -2.3000 -2.3000 -2.2940 -2.2940 -2.2629 -2.2629 -2.0651 -2.0651 -1.9738 -1.9738 -1.9447 -1.9447 -1.9299 -1.9299 -1.9215 -1.9215 -1.7146 -1.7146 -1.5715 -1.5715 0.3594 0.3594 0.4756 0.4756 2.3074 2.3074 2.5234 2.5234 4.1750 4.1750 4.1939 4.1939 6.4820 6.4820 6.4862 6.4862 8.9099 8.9099 9.1342 9.1342 9.5341 9.5341 k = 0.2624 0.4545 0.2162 ( 6436 PWs) bands (ev): -25.6270 -25.6270 -25.6270 -25.6270 -9.3373 -9.3373 -9.3362 -9.3362 -9.0876 -9.0876 -9.0860 -9.0860 -9.0556 -9.0556 -9.0553 -9.0553 -3.8671 -3.8671 -3.8390 -3.8390 -2.3002 -2.3002 -2.2958 -2.2958 -2.2608 -2.2608 -2.0734 -2.0734 -1.9756 -1.9756 -1.9453 -1.9453 -1.9297 -1.9297 -1.9215 -1.9215 -1.7220 -1.7220 -1.5878 -1.5878 0.4055 0.4055 0.5189 0.5189 2.3666 2.3666 2.5795 2.5795 4.1377 4.1377 4.1567 4.1567 6.5235 6.5235 6.5281 6.5281 8.8307 8.8307 9.0495 9.0495 9.5387 9.5387 k = 0.2553 0.4422 0.2162 ( 6440 PWs) bands (ev): -25.6271 -25.6271 -25.6271 -25.6271 -9.3368 -9.3368 -9.3357 -9.3357 -9.0869 -9.0869 -9.0853 -9.0853 -9.0553 -9.0553 -9.0550 -9.0550 -3.8847 -3.8847 -3.8585 -3.8585 -2.3004 -2.3004 -2.2978 -2.2978 -2.2585 -2.2585 -2.0823 -2.0823 -1.9775 -1.9775 -1.9461 -1.9461 -1.9294 -1.9294 -1.9215 -1.9215 -1.7294 -1.7294 -1.6047 -1.6047 0.4579 0.4579 0.5683 0.5683 2.4294 2.4294 2.6394 2.6394 4.0974 4.0974 4.1165 4.1165 6.5696 6.5696 6.5747 6.5747 8.7515 8.7515 8.9651 8.9651 9.5403 9.5403 k = 0.2482 0.4299 0.2162 ( 6436 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3362 -9.3362 -9.3352 -9.3352 -9.0860 -9.0860 -9.0846 -9.0846 -9.0549 -9.0549 -9.0547 -9.0547 -3.9041 -3.9041 -3.8797 -3.8797 -2.3006 -2.3006 -2.2998 -2.2998 -2.2563 -2.2563 -2.0916 -2.0916 -1.9796 -1.9796 -1.9471 -1.9471 -1.9291 -1.9291 -1.9216 -1.9216 -1.7369 -1.7369 -1.6220 -1.6220 0.5163 0.5163 0.6239 0.6239 2.4956 2.4956 2.7028 2.7028 4.0546 4.0546 4.0739 4.0739 6.6201 6.6201 6.6258 6.6258 8.6728 8.6728 8.8815 8.8815 9.5362 9.5363 k = 0.2411 0.4177 0.2162 ( 6444 PWs) bands (ev): -25.6273 -25.6273 -25.6273 -25.6273 -9.3355 -9.3355 -9.3346 -9.3346 -9.0851 -9.0851 -9.0837 -9.0837 -9.0546 -9.0546 -9.0543 -9.0543 -3.9251 -3.9251 -3.9026 -3.9026 -2.3020 -2.3020 -2.3010 -2.3010 -2.2541 -2.2541 -2.1013 -2.1013 -1.9819 -1.9819 -1.9485 -1.9485 -1.9288 -1.9288 -1.9217 -1.9217 -1.7442 -1.7442 -1.6394 -1.6394 0.5806 0.5806 0.6856 0.6856 2.5646 2.5646 2.7692 2.7692 4.0097 4.0097 4.0292 4.0292 6.6747 6.6747 6.6812 6.6812 8.5948 8.5948 8.7988 8.7988 9.5180 9.5181 k = 0.2340 0.4054 0.2162 ( 6456 PWs) bands (ev): -25.6274 -25.6274 -25.6274 -25.6274 -9.3348 -9.3348 -9.3339 -9.3339 -9.0841 -9.0841 -9.0828 -9.0828 -9.0542 -9.0542 -9.0540 -9.0540 -3.9478 -3.9478 -3.9270 -3.9270 -2.3043 -2.3043 -2.3016 -2.3016 -2.2519 -2.2519 -2.1112 -2.1112 -1.9843 -1.9843 -1.9501 -1.9501 -1.9285 -1.9285 -1.9219 -1.9219 -1.7512 -1.7512 -1.6565 -1.6565 0.6508 0.6508 0.7531 0.7531 2.6362 2.6362 2.8383 2.8383 3.9631 3.9631 3.9829 3.9829 6.7333 6.7333 6.7406 6.7406 8.5179 8.5179 8.7173 8.7173 9.4695 9.4695 k = 0.2270 0.3931 0.2162 ( 6458 PWs) bands (ev): -25.6276 -25.6276 -25.6276 -25.6276 -9.3340 -9.3340 -9.3332 -9.3332 -9.0831 -9.0831 -9.0818 -9.0818 -9.0538 -9.0538 -9.0536 -9.0536 -3.9719 -3.9719 -3.9529 -3.9529 -2.3066 -2.3066 -2.3023 -2.3023 -2.2497 -2.2497 -2.1211 -2.1211 -1.9869 -1.9869 -1.9521 -1.9521 -1.9282 -1.9282 -1.9221 -1.9221 -1.7578 -1.7578 -1.6733 -1.6733 0.7266 0.7266 0.8263 0.8263 2.7099 2.7099 2.9098 2.9098 3.9153 3.9153 3.9355 3.9355 6.7954 6.7954 6.8037 6.8037 8.4422 8.4422 8.6371 8.6371 9.3987 9.3987 k = 0.2199 0.3808 0.2162 ( 6450 PWs) bands (ev): -25.6277 -25.6277 -25.6277 -25.6277 -9.3332 -9.3332 -9.3324 -9.3324 -9.0819 -9.0819 -9.0807 -9.0807 -9.0534 -9.0534 -9.0533 -9.0533 -3.9973 -3.9973 -3.9801 -3.9801 -2.3090 -2.3090 -2.3031 -2.3031 -2.2475 -2.2475 -2.1310 -2.1310 -1.9895 -1.9895 -1.9544 -1.9544 -1.9278 -1.9278 -1.9222 -1.9222 -1.7641 -1.7641 -1.6893 -1.6893 0.8078 0.8078 0.9050 0.9050 2.7853 2.7853 2.9832 2.9832 3.8669 3.8669 3.8876 3.8876 6.8608 6.8608 6.8702 6.8702 8.3680 8.3680 8.5583 8.5583 9.3222 9.3222 k = 0.2128 0.3685 0.2162 ( 6442 PWs) bands (ev): -25.6278 -25.6278 -25.6278 -25.6278 -9.3323 -9.3323 -9.3315 -9.3315 -9.0807 -9.0807 -9.0796 -9.0796 -9.0530 -9.0530 -9.0529 -9.0529 -4.0239 -4.0239 -4.0084 -4.0084 -2.3115 -2.3115 -2.3042 -2.3042 -2.2454 -2.2454 -2.1405 -2.1405 -1.9923 -1.9923 -1.9572 -1.9572 -1.9274 -1.9274 -1.9224 -1.9224 -1.7699 -1.7699 -1.7045 -1.7045 0.8943 0.8943 0.9890 0.9890 2.8618 2.8618 3.0579 3.0579 3.8185 3.8185 3.8398 3.8398 6.9291 6.9291 6.9399 6.9399 8.2953 8.2953 8.4809 8.4809 9.2456 9.2456 k = 0.2057 0.3562 0.2162 ( 6440 PWs) bands (ev): -25.6280 -25.6280 -25.6280 -25.6280 -9.3313 -9.3313 -9.3306 -9.3306 -9.0794 -9.0794 -9.0784 -9.0784 -9.0526 -9.0526 -9.0525 -9.0525 -4.0516 -4.0516 -4.0377 -4.0377 -2.3140 -2.3140 -2.3055 -2.3055 -2.2433 -2.2433 -2.1498 -2.1498 -1.9951 -1.9951 -1.9603 -1.9603 -1.9270 -1.9270 -1.9225 -1.9225 -1.7753 -1.7753 -1.7187 -1.7187 0.9859 0.9859 1.0782 1.0782 2.9388 2.9388 3.1331 3.1331 3.7709 3.7709 3.7928 3.7928 6.9999 6.9999 7.0123 7.0123 8.2243 8.2243 8.4049 8.4049 9.1707 9.1707 k = 0.1986 0.3440 0.2162 ( 6444 PWs) bands (ev): -25.6281 -25.6281 -25.6281 -25.6281 -9.3303 -9.3303 -9.3297 -9.3297 -9.0781 -9.0781 -9.0772 -9.0772 -9.0522 -9.0522 -9.0520 -9.0520 -4.0802 -4.0802 -4.0678 -4.0678 -2.3165 -2.3165 -2.3071 -2.3071 -2.2414 -2.2414 -2.1585 -2.1585 -1.9981 -1.9981 -1.9639 -1.9639 -1.9265 -1.9265 -1.9226 -1.9226 -1.7803 -1.7803 -1.7319 -1.7319 1.0823 1.0823 1.1723 1.1723 3.0153 3.0153 3.2075 3.2075 3.7256 3.7256 3.7478 3.7478 7.0727 7.0727 7.0871 7.0871 8.1551 8.1551 8.3303 8.3303 9.0982 9.0982 k = 0.1915 0.3317 0.2162 ( 6442 PWs) bands (ev): -25.6283 -25.6283 -25.6283 -25.6283 -9.3293 -9.3293 -9.3287 -9.3287 -9.0768 -9.0768 -9.0759 -9.0759 -9.0517 -9.0517 -9.0516 -9.0516 -4.1095 -4.1095 -4.0985 -4.0985 -2.3191 -2.3191 -2.3089 -2.3089 -2.2394 -2.2394 -2.1665 -2.1665 -2.0011 -2.0011 -1.9680 -1.9680 -1.9260 -1.9260 -1.9226 -1.9226 -1.7849 -1.7849 -1.7439 -1.7439 1.1833 1.1833 1.2711 1.2711 3.0898 3.0898 3.2787 3.2787 3.6850 3.6850 3.7061 3.7061 7.1470 7.1470 7.1641 7.1641 8.0879 8.0879 8.2570 8.2570 9.0285 9.0285 k = 0.1844 0.3194 0.2162 ( 6442 PWs) bands (ev): -25.6284 -25.6284 -25.6284 -25.6284 -9.3283 -9.3283 -9.3277 -9.3277 -9.0754 -9.0754 -9.0746 -9.0746 -9.0512 -9.0512 -9.0511 -9.0511 -4.1394 -4.1394 -4.1297 -4.1297 -2.3217 -2.3217 -2.3110 -2.3110 -2.2375 -2.2375 -2.1739 -2.1739 -2.0042 -2.0042 -1.9724 -1.9724 -1.9255 -1.9255 -1.9226 -1.9226 -1.7891 -1.7891 -1.7548 -1.7548 1.2888 1.2888 1.3744 1.3744 3.1596 3.1596 3.3412 3.3412 3.6545 3.6545 3.6706 3.6706 7.2220 7.2220 7.2426 7.2426 8.0230 8.0230 8.1850 8.1850 8.9619 8.9619 k = 0.1773 0.3071 0.2162 ( 6438 PWs) bands (ev): -25.6286 -25.6286 -25.6286 -25.6286 -9.3272 -9.3272 -9.3267 -9.3267 -9.0740 -9.0740 -9.0733 -9.0733 -9.0507 -9.0507 -9.0505 -9.0505 -4.1697 -4.1697 -4.1611 -4.1611 -2.3243 -2.3243 -2.3133 -2.3133 -2.2356 -2.2356 -2.1805 -2.1805 -2.0073 -2.0073 -1.9771 -1.9771 -1.9249 -1.9249 -1.9225 -1.9225 -1.7930 -1.7930 -1.7646 -1.7646 1.3986 1.3986 1.4820 1.4820 3.2204 3.2204 3.3840 3.3840 3.6453 3.6453 3.6457 3.6457 7.2966 7.2966 7.3223 7.3223 7.9610 7.9610 8.1142 8.1142 8.8988 8.8988 k = 0.1702 0.2948 0.2162 ( 6442 PWs) bands (ev): -25.6288 -25.6288 -25.6288 -25.6288 -9.3261 -9.3261 -9.3256 -9.3256 -9.0726 -9.0726 -9.0720 -9.0720 -9.0501 -9.0501 -9.0500 -9.0500 -4.2001 -4.2001 -4.1927 -4.1927 -2.3269 -2.3269 -2.3159 -2.3159 -2.2338 -2.2338 -2.1864 -2.1864 -2.0105 -2.0105 -1.9821 -1.9821 -1.9244 -1.9244 -1.9224 -1.9224 -1.7966 -1.7966 -1.7733 -1.7733 1.5124 1.5124 1.5937 1.5937 3.2650 3.2650 3.3946 3.3946 3.6384 3.6384 3.6696 3.6696 7.3689 7.3689 7.4022 7.4022 7.9032 7.9032 8.0447 8.0447 8.8394 8.8394 k = 0.1631 0.2825 0.2162 ( 6434 PWs) bands (ev): -25.6289 -25.6289 -25.6289 -25.6289 -9.3250 -9.3250 -9.3246 -9.3246 -9.0713 -9.0713 -9.0707 -9.0707 -9.0494 -9.0494 -9.0493 -9.0493 -4.2306 -4.2306 -4.2242 -4.2242 -2.3294 -2.3294 -2.3187 -2.3187 -2.2320 -2.2320 -2.1915 -2.1915 -2.0137 -2.0137 -1.9874 -1.9874 -1.9238 -1.9238 -1.9221 -1.9221 -1.7999 -1.7999 -1.7809 -1.7809 1.6301 1.6301 1.7093 1.7093 3.2862 3.2862 3.3774 3.3774 3.6560 3.6560 3.7231 3.7231 7.4354 7.4354 7.4814 7.4814 7.8522 7.8522 7.9768 7.9768 8.7840 8.7840 k = 0.1560 0.2702 0.2162 ( 6430 PWs) bands (ev): -25.6291 -25.6291 -25.6291 -25.6291 -9.3239 -9.3239 -9.3235 -9.3235 -9.0700 -9.0700 -9.0694 -9.0694 -9.0486 -9.0486 -9.0485 -9.0485 -4.2610 -4.2610 -4.2554 -4.2554 -2.3320 -2.3320 -2.3217 -2.3217 -2.2303 -2.2303 -2.1958 -2.1958 -2.0169 -2.0169 -1.9928 -1.9928 -1.9231 -1.9231 -1.9218 -1.9218 -1.8029 -1.8029 -1.7877 -1.7877 1.7513 1.7513 1.8285 1.8285 3.2841 3.2841 3.3461 3.3461 3.6984 3.6984 3.7921 3.7921 7.4886 7.4886 7.5577 7.5577 7.8146 7.8146 7.9117 7.9117 8.7331 8.7331 k = 0.1489 0.2580 0.2162 ( 6438 PWs) bands (ev): -25.6293 -25.6293 -25.6293 -25.6293 -9.3228 -9.3228 -9.3225 -9.3225 -9.0687 -9.0687 -9.0683 -9.0683 -9.0478 -9.0478 -9.0477 -9.0477 -4.2911 -4.2911 -4.2863 -4.2863 -2.3345 -2.3345 -2.3248 -2.3248 -2.2286 -2.2286 -2.1995 -2.1995 -2.0201 -2.0201 -1.9982 -1.9982 -1.9225 -1.9225 -1.9215 -1.9215 -1.8057 -1.8057 -1.7936 -1.7936 1.8758 1.8758 1.9510 1.9510 3.2657 3.2657 3.3092 3.3092 3.7584 3.7584 3.8680 3.8680 7.5155 7.5155 7.6251 7.6251 7.8023 7.8023 7.8539 7.8539 8.6872 8.6872 k = 0.1418 0.2457 0.2162 ( 6438 PWs) bands (ev): -25.6295 -25.6295 -25.6295 -25.6295 -9.3218 -9.3218 -9.3215 -9.3215 -9.0675 -9.0675 -9.0671 -9.0671 -9.0468 -9.0468 -9.0468 -9.0468 -4.3208 -4.3208 -4.3167 -4.3167 -2.3369 -2.3369 -2.3280 -2.3280 -2.2270 -2.2270 -2.2025 -2.2025 -2.0233 -2.0233 -2.0037 -2.0037 -1.9219 -1.9219 -1.9211 -1.9211 -1.8083 -1.8083 -1.7987 -1.7987 2.0032 2.0032 2.0765 2.0765 3.2389 3.2389 3.2709 3.2709 3.8286 3.8286 3.9466 3.9466 7.5064 7.5064 7.6626 7.6626 7.8231 7.8231 7.8236 7.8236 8.6468 8.6468 k = 0.1348 0.2334 0.2162 ( 6442 PWs) bands (ev): -25.6297 -25.6297 -25.6297 -25.6297 -9.3207 -9.3207 -9.3205 -9.3205 -9.0664 -9.0664 -9.0661 -9.0661 -9.0458 -9.0458 -9.0458 -9.0458 -4.3498 -4.3498 -4.3464 -4.3464 -2.3393 -2.3393 -2.3313 -2.3313 -2.2254 -2.2254 -2.2050 -2.2050 -2.0265 -2.0265 -2.0091 -2.0091 -1.9212 -1.9212 -1.9207 -1.9207 -1.8106 -1.8106 -1.8032 -1.8032 2.1331 2.1331 2.2043 2.2043 3.2085 3.2085 3.2332 3.2332 3.9040 3.9040 4.0261 4.0261 7.4695 7.4695 7.6388 7.6388 7.8488 7.8488 7.8682 7.8682 8.6128 8.6128 k = 0.1277 0.2211 0.2162 ( 6454 PWs) bands (ev): -25.6298 -25.6298 -25.6298 -25.6298 -9.3198 -9.3198 -9.3195 -9.3195 -9.0655 -9.0655 -9.0652 -9.0652 -9.0447 -9.0447 -9.0447 -9.0447 -4.3782 -4.3782 -4.3753 -4.3753 -2.3417 -2.3417 -2.3345 -2.3345 -2.2238 -2.2238 -2.2069 -2.2069 -2.0296 -2.0296 -2.0145 -2.0145 -1.9205 -1.9205 -1.9202 -1.9202 -1.8128 -1.8128 -1.8071 -1.8071 2.2646 2.2646 2.3337 2.3337 3.1780 3.1780 3.1977 3.1977 3.9818 3.9818 4.1053 4.1053 7.4174 7.4174 7.5794 7.5794 7.9029 7.9029 7.9216 7.9216 8.5861 8.5861 k = 0.1206 0.2088 0.2162 ( 6470 PWs) bands (ev): -25.6300 -25.6300 -25.6300 -25.6300 -9.3188 -9.3188 -9.3186 -9.3186 -9.0646 -9.0646 -9.0644 -9.0644 -9.0435 -9.0435 -9.0435 -9.0435 -4.4057 -4.4057 -4.4033 -4.4033 -2.3439 -2.3439 -2.3377 -2.3377 -2.2224 -2.2224 -2.2084 -2.2084 -2.0327 -2.0327 -2.0197 -2.0197 -1.9199 -1.9199 -1.9197 -1.9197 -1.8148 -1.8148 -1.8105 -1.8105 2.3966 2.3966 2.4631 2.4631 3.1502 3.1502 3.1659 3.1659 4.0603 4.0603 4.1834 4.1834 7.3567 7.3567 7.5082 7.5082 7.9589 7.9589 7.9743 7.9743 8.5680 8.5680 k = 0.1135 0.1965 0.2162 ( 6462 PWs) bands (ev): -25.6302 -25.6302 -25.6302 -25.6302 -9.3179 -9.3179 -9.3177 -9.3177 -9.0638 -9.0638 -9.0636 -9.0636 -9.0422 -9.0422 -9.0421 -9.0421 -4.4322 -4.4322 -4.4302 -4.4302 -2.3461 -2.3461 -2.3407 -2.3407 -2.2209 -2.2209 -2.2095 -2.2095 -2.0358 -2.0358 -2.0246 -2.0246 -1.9192 -1.9192 -1.9191 -1.9191 -1.8167 -1.8167 -1.8134 -1.8134 2.5265 2.5265 2.5897 2.5897 3.1286 3.1286 3.1404 3.1404 4.1384 4.1384 4.2598 4.2598 7.2900 7.2900 7.4307 7.4307 8.0086 8.0086 8.0210 8.0210 8.5595 8.5595 k = 0.1064 0.1843 0.2162 ( 6446 PWs) bands (ev): -25.6303 -25.6303 -25.6303 -25.6303 -9.3170 -9.3170 -9.3169 -9.3169 -9.0631 -9.0631 -9.0630 -9.0630 -9.0408 -9.0408 -9.0408 -9.0408 -4.4576 -4.4576 -4.4560 -4.4560 -2.3482 -2.3482 -2.3436 -2.3436 -2.2195 -2.2195 -2.2103 -2.2103 -2.0387 -2.0387 -2.0293 -2.0293 -1.9185 -1.9185 -1.9185 -1.9185 -1.8183 -1.8183 -1.8159 -1.8159 2.6492 2.6492 2.7066 2.7066 3.1205 3.1205 3.1267 3.1267 4.2153 4.2153 4.3340 4.3340 7.2180 7.2180 7.3479 7.3479 8.0483 8.0483 8.0585 8.0585 8.5613 8.5613 k = 0.0993 0.1720 0.2162 ( 6446 PWs) bands (ev): -25.6305 -25.6305 -25.6305 -25.6305 -9.3162 -9.3162 -9.3161 -9.3161 -9.0625 -9.0625 -9.0624 -9.0624 -9.0394 -9.0394 -9.0393 -9.0393 -4.4819 -4.4819 -4.4806 -4.4806 -2.3502 -2.3502 -2.3464 -2.3464 -2.2181 -2.2181 -2.2108 -2.2108 -2.0415 -2.0415 -2.0338 -2.0338 -1.9179 -1.9179 -1.9179 -1.9179 -1.8199 -1.8199 -1.8181 -1.8181 2.7532 2.7532 2.7990 2.7990 3.1360 3.1360 3.1407 3.1407 4.2904 4.2904 4.4054 4.4054 7.1408 7.1408 7.2597 7.2597 8.0768 8.0768 8.0854 8.0854 8.5695 8.5695 k = 0.0922 0.1597 0.2162 ( 6440 PWs) bands (ev): -25.6306 -25.6306 -25.6306 -25.6306 -9.3154 -9.3154 -9.3153 -9.3153 -9.0620 -9.0620 -9.0619 -9.0619 -9.0379 -9.0379 -9.0379 -9.0379 -4.5048 -4.5048 -4.5038 -4.5038 -2.3520 -2.3520 -2.3490 -2.3490 -2.2169 -2.2169 -2.2111 -2.2111 -2.0443 -2.0443 -2.0380 -2.0380 -1.9173 -1.9173 -1.9172 -1.9172 -1.8213 -1.8213 -1.8201 -1.8201 2.8209 2.8209 2.8494 2.8494 3.1859 3.1859 3.2069 3.2069 4.3632 4.3632 4.4737 4.4737 7.0579 7.0579 7.1657 7.1657 8.0950 8.0950 8.1023 8.1023 8.5829 8.5829 k = 0.0851 0.1474 0.2162 ( 6432 PWs) bands (ev): -25.6308 -25.6308 -25.6308 -25.6308 -9.3147 -9.3147 -9.3146 -9.3146 -9.0616 -9.0616 -9.0615 -9.0615 -9.0365 -9.0365 -9.0364 -9.0364 -4.5264 -4.5264 -4.5256 -4.5256 -2.3538 -2.3538 -2.3514 -2.3514 -2.2157 -2.2157 -2.2111 -2.2111 -2.0469 -2.0469 -2.0419 -2.0419 -1.9167 -1.9167 -1.9166 -1.9166 -1.8226 -1.8226 -1.8217 -1.8217 2.8472 2.8472 2.8620 2.8620 3.2814 3.2814 3.3147 3.3147 4.4333 4.4333 4.5385 4.5385 6.9689 6.9689 7.0655 7.0655 8.1048 8.1048 8.1108 8.1108 8.6010 8.6010 k = 0.0780 0.1351 0.2162 ( 6428 PWs) bands (ev): -25.6309 -25.6309 -25.6309 -25.6309 -9.3140 -9.3140 -9.3139 -9.3139 -9.0612 -9.0612 -9.0612 -9.0612 -9.0350 -9.0350 -9.0350 -9.0350 -4.5466 -4.5466 -4.5460 -4.5460 -2.3555 -2.3555 -2.3536 -2.3536 -2.2145 -2.2145 -2.2111 -2.2111 -2.0494 -2.0494 -2.0455 -2.0455 -1.9161 -1.9161 -1.9160 -1.9160 -1.8238 -1.8238 -1.8232 -1.8232 2.8479 2.8479 2.8554 2.8554 3.4065 3.4065 3.4452 3.4452 4.5002 4.5002 4.5994 4.5994 6.8734 6.8734 6.9587 6.9587 8.1087 8.1087 8.1136 8.1136 8.6213 8.6213 k = 0.0709 0.1228 0.2162 ( 6424 PWs) bands (ev): -25.6310 -25.6310 -25.6310 -25.6310 -9.3134 -9.3134 -9.3134 -9.3134 -9.0609 -9.0609 -9.0609 -9.0609 -9.0337 -9.0337 -9.0336 -9.0336 -4.5652 -4.5652 -4.5648 -4.5648 -2.3571 -2.3571 -2.3556 -2.3556 -2.2135 -2.2135 -2.2109 -2.2109 -2.0517 -2.0517 -2.0487 -2.0487 -1.9155 -1.9155 -1.9155 -1.9155 -1.8248 -1.8248 -1.8244 -1.8244 2.8373 2.8373 2.8414 2.8414 3.5463 3.5463 3.5865 3.5865 4.5638 4.5638 4.6561 4.6561 6.7711 6.7711 6.8451 6.8451 8.1088 8.1088 8.1126 8.1126 8.6420 8.6420 k = 0.0638 0.1106 0.2162 ( 6440 PWs) bands (ev): -25.6312 -25.6312 -25.6312 -25.6312 -9.3129 -9.3129 -9.3128 -9.3128 -9.0607 -9.0607 -9.0606 -9.0606 -9.0324 -9.0324 -9.0323 -9.0323 -4.5823 -4.5823 -4.5819 -4.5819 -2.3585 -2.3585 -2.3574 -2.3574 -2.2125 -2.2125 -2.2107 -2.2107 -2.0539 -2.0539 -2.0517 -2.0517 -1.9150 -1.9150 -1.9150 -1.9150 -1.8258 -1.8258 -1.8255 -1.8255 2.8226 2.8226 2.8249 2.8249 3.6935 3.6935 3.7331 3.7331 4.6239 4.6239 4.7086 4.7086 6.6620 6.6620 6.7249 6.7249 8.1067 8.1067 8.1096 8.1096 8.6621 8.6621 k = 0.0567 0.0983 0.2162 ( 6440 PWs) bands (ev): -25.6313 -25.6313 -25.6313 -25.6313 -9.3124 -9.3124 -9.3124 -9.3124 -9.0604 -9.0604 -9.0604 -9.0604 -9.0311 -9.0311 -9.0311 -9.0311 -4.5977 -4.5977 -4.5974 -4.5974 -2.3598 -2.3598 -2.3591 -2.3591 -2.2117 -2.2117 -2.2104 -2.2104 -2.0559 -2.0559 -2.0544 -2.0544 -1.9145 -1.9145 -1.9145 -1.9145 -1.8266 -1.8266 -1.8265 -1.8265 2.8068 2.8068 2.8081 2.8081 3.8441 3.8441 3.8819 3.8819 4.6804 4.6804 4.7568 4.7568 6.5462 6.5462 6.5983 6.5983 8.1034 8.1034 8.1055 8.1055 8.6812 8.6812 k = 0.0496 0.0860 0.2162 ( 6440 PWs) bands (ev): -25.6314 -25.6314 -25.6314 -25.6314 -9.3120 -9.3120 -9.3120 -9.3120 -9.0603 -9.0603 -9.0603 -9.0603 -9.0300 -9.0300 -9.0300 -9.0300 -4.6114 -4.6114 -4.6112 -4.6112 -2.3610 -2.3610 -2.3605 -2.3605 -2.2109 -2.2109 -2.2100 -2.2100 -2.0577 -2.0577 -2.0567 -2.0567 -1.9141 -1.9141 -1.9140 -1.9140 -1.8273 -1.8273 -1.8272 -1.8272 2.7915 2.7915 2.7922 2.7922 3.9956 3.9956 4.0306 4.0306 4.7337 4.7337 4.8009 4.8009 6.4244 6.4244 6.4662 6.4662 8.0997 8.0997 8.1011 8.1011 8.6991 8.6991 k = 0.0426 0.0737 0.2162 ( 6432 PWs) bands (ev): -25.6314 -25.6314 -25.6314 -25.6314 -9.3116 -9.3116 -9.3116 -9.3116 -9.0601 -9.0601 -9.0601 -9.0601 -9.0290 -9.0290 -9.0290 -9.0290 -4.6233 -4.6233 -4.6232 -4.6232 -2.3620 -2.3620 -2.3617 -2.3617 -2.2102 -2.2102 -2.2097 -2.2097 -2.0593 -2.0593 -2.0587 -2.0587 -1.9137 -1.9137 -1.9136 -1.9136 -1.8280 -1.8280 -1.8279 -1.8279 2.7774 2.7774 2.7778 2.7778 4.1456 4.1456 4.1768 4.1768 4.7845 4.7845 4.8415 4.8415 6.2975 6.2975 6.3297 6.3297 8.0958 8.0958 8.0967 8.0967 8.7159 8.7159 k = 0.0355 0.0614 0.2162 ( 6440 PWs) bands (ev): -25.6315 -25.6315 -25.6315 -25.6315 -9.3113 -9.3113 -9.3113 -9.3113 -9.0600 -9.0600 -9.0600 -9.0600 -9.0281 -9.0281 -9.0281 -9.0281 -4.6335 -4.6335 -4.6335 -4.6335 -2.3629 -2.3629 -2.3627 -2.3627 -2.2096 -2.2096 -2.2093 -2.2093 -2.0607 -2.0607 -2.0604 -2.0604 -1.9133 -1.9133 -1.9133 -1.9133 -1.8285 -1.8285 -1.8285 -1.8285 2.7651 2.7651 2.7653 2.7653 4.2908 4.2908 4.3171 4.3171 4.8342 4.8342 4.8800 4.8800 6.1673 6.1673 6.1907 6.1907 8.0922 8.0922 8.0928 8.0928 8.7311 8.7311 k = 0.0284 0.0491 0.2162 ( 6440 PWs) bands (ev): -25.6316 -25.6316 -25.6316 -25.6316 -9.3111 -9.3111 -9.3111 -9.3111 -9.0599 -9.0599 -9.0599 -9.0599 -9.0274 -9.0274 -9.0274 -9.0274 -4.6419 -4.6419 -4.6419 -4.6419 -2.3637 -2.3637 -2.3636 -2.3636 -2.2092 -2.2092 -2.2090 -2.2090 -2.0619 -2.0619 -2.0617 -2.0617 -1.9130 -1.9130 -1.9130 -1.9130 -1.8289 -1.8289 -1.8289 -1.8289 2.7547 2.7547 2.7548 2.7548 4.4262 4.4262 4.4460 4.4460 4.8857 4.8857 4.9190 4.9190 6.0363 6.0363 6.0517 6.0517 8.0891 8.0891 8.0893 8.0893 8.7442 8.7442 k = 0.0213 0.0369 0.2162 ( 6434 PWs) bands (ev): -25.6316 -25.6316 -25.6316 -25.6316 -9.3109 -9.3109 -9.3109 -9.3109 -9.0598 -9.0598 -9.0598 -9.0598 -9.0268 -9.0268 -9.0268 -9.0268 -4.6484 -4.6484 -4.6484 -4.6484 -2.3642 -2.3642 -2.3642 -2.3642 -2.2088 -2.2088 -2.2088 -2.2088 -2.0628 -2.0628 -2.0627 -2.0627 -1.9128 -1.9128 -1.9128 -1.9128 -1.8292 -1.8292 -1.8292 -1.8292 2.7465 2.7465 2.7465 2.7465 4.5435 4.5435 4.5556 4.5556 4.9426 4.9426 4.9626 4.9626 5.9086 5.9086 5.9173 5.9173 8.0864 8.0864 8.0866 8.0866 8.7540 8.7540 k = 0.0142 0.0246 0.2162 ( 6434 PWs) bands (ev): -25.6317 -25.6317 -25.6317 -25.6317 -9.3107 -9.3107 -9.3107 -9.3107 -9.0598 -9.0598 -9.0598 -9.0598 -9.0264 -9.0264 -9.0264 -9.0264 -4.6531 -4.6531 -4.6531 -4.6531 -2.3647 -2.3647 -2.3646 -2.3646 -2.2086 -2.2086 -2.2086 -2.2086 -2.0635 -2.0635 -2.0635 -2.0635 -1.9126 -1.9126 -1.9126 -1.9126 -1.8295 -1.8295 -1.8295 -1.8295 2.7405 2.7405 2.7405 2.7405 4.6320 4.6320 4.6367 4.6367 5.0060 5.0060 5.0140 5.0140 5.7921 5.7921 5.7956 5.7956 8.0845 8.0845 8.0845 8.0845 8.7590 8.7591 k = 0.0071 0.0123 0.2162 ( 6438 PWs) bands (ev): -25.6317 -25.6317 -25.6317 -25.6317 -9.3106 -9.3106 -9.3106 -9.3106 -9.0598 -9.0598 -9.0598 -9.0598 -9.0261 -9.0261 -9.0261 -9.0261 -4.6560 -4.6560 -4.6560 -4.6560 -2.3649 -2.3649 -2.3649 -2.3649 -2.2084 -2.2084 -2.2084 -2.2084 -2.0639 -2.0639 -2.0639 -2.0639 -1.9125 -1.9125 -1.9125 -1.9125 -1.8296 -1.8296 -1.8296 -1.8296 2.7369 2.7369 2.7369 2.7369 4.6841 4.6841 4.6848 4.6848 5.0643 5.0643 5.0656 5.0656 5.7023 5.7023 5.7030 5.7030 8.0833 8.0833 8.0833 8.0833 8.7589 8.7591 k = 0.0000 0.0000 0.2162 ( 6438 PWs) bands (ev): -25.6317 -25.6317 -25.6317 -25.6317 -9.3106 -9.3106 -9.3106 -9.3106 -9.0598 -9.0598 -9.0598 -9.0598 -9.0260 -9.0260 -9.0260 -9.0260 -4.6569 -4.6569 -4.6569 -4.6569 -2.3650 -2.3650 -2.3650 -2.3650 -2.2084 -2.2084 -2.2084 -2.2084 -2.0641 -2.0641 -2.0641 -2.0641 -1.9125 -1.9125 -1.9125 -1.9125 -1.8297 -1.8297 -1.8297 -1.8297 2.7357 2.7357 2.7357 2.7357 4.7005 4.7005 4.7005 4.7005 5.0897 5.0897 5.0897 5.0897 5.6664 5.6664 5.6664 5.6664 8.0829 8.0829 8.0829 8.0829 8.7576 8.7576 k = 0.5000 0.2887 0.2162 ( 6484 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3384 -9.3384 -9.3384 -9.3384 -9.0907 -9.0907 -9.0907 -9.0907 -9.0470 -9.0470 -9.0470 -9.0470 -3.8791 -3.8791 -3.8791 -3.8791 -2.2880 -2.2880 -2.2880 -2.2880 -2.1877 -2.1877 -2.1877 -2.1877 -1.9511 -1.9511 -1.9511 -1.9511 -1.9176 -1.9176 -1.9176 -1.9176 -1.6659 -1.6659 -1.6659 -1.6659 0.2051 0.2051 0.2051 0.2051 3.5018 3.5018 3.5018 3.5018 4.1464 4.1464 4.1464 4.1464 6.3679 6.3679 6.3679 6.3679 6.5413 6.5413 6.5413 6.5413 10.1490 10.1490 k = 0.5000 0.2887 0.2018 ( 6484 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3385 -9.3385 -9.3383 -9.3383 -9.0908 -9.0908 -9.0905 -9.0905 -9.0475 -9.0475 -9.0464 -9.0464 -3.8814 -3.8814 -3.8769 -3.8769 -2.2881 -2.2881 -2.2878 -2.2878 -2.1878 -2.1878 -2.1876 -2.1876 -1.9514 -1.9514 -1.9509 -1.9509 -1.9177 -1.9177 -1.9175 -1.9175 -1.6666 -1.6666 -1.6652 -1.6652 0.1951 0.1951 0.2152 0.2152 3.4981 3.4981 3.5054 3.5054 4.1356 4.1356 4.1566 4.1566 6.3171 6.3171 6.4136 6.4136 6.5300 6.5300 6.5638 6.5638 10.0406 10.0406 k = 0.5000 0.2887 0.1874 ( 6474 PWs) bands (ev): -25.6272 -25.6272 -25.6272 -25.6272 -9.3385 -9.3385 -9.3383 -9.3383 -9.0910 -9.0910 -9.0904 -9.0904 -9.0480 -9.0480 -9.0459 -9.0459 -3.8836 -3.8836 -3.8747 -3.8747 -2.2883 -2.2883 -2.2877 -2.2877 -2.1879 -2.1879 -2.1875 -2.1875 -1.9516 -1.9516 -1.9507 -1.9507 -1.9178 -1.9178 -1.9174 -1.9174 -1.6674 -1.6674 -1.6645 -1.6645 0.1853 0.1853 0.2254 0.2254 3.4945 3.4945 3.5089 3.5089 4.1242 4.1242 4.1658 4.1658 6.2687 6.2687 6.4332 6.4332 6.5503 6.5503 6.5906 6.5906 9.9331 9.9331 k = 0.5000 0.2887 0.1730 ( 6466 PWs) bands (ev): -25.6272 -25.6272 -25.6271 -25.6271 -9.3386 -9.3386 -9.3382 -9.3382 -9.0911 -9.0911 -9.0903 -9.0903 -9.0484 -9.0484 -9.0453 -9.0453 -3.8857 -3.8857 -3.8725 -3.8725 -2.2884 -2.2884 -2.2875 -2.2875 -2.1880 -2.1880 -2.1873 -2.1873 -1.9519 -1.9519 -1.9504 -1.9504 -1.9179 -1.9179 -1.9172 -1.9172 -1.6681 -1.6681 -1.6638 -1.6638 0.1758 0.1758 0.2354 0.2354 3.4909 3.4909 3.5123 3.5123 4.1125 4.1125 4.1739 4.1739 6.2249 6.2249 6.4243 6.4243 6.6001 6.6001 6.6235 6.6235 9.8292 9.8292 k = 0.5000 0.2887 0.1585 ( 6466 PWs) bands (ev): -25.6273 -25.6273 -25.6271 -25.6271 -9.3387 -9.3387 -9.3381 -9.3381 -9.0913 -9.0913 -9.0902 -9.0902 -9.0489 -9.0489 -9.0448 -9.0448 -3.8878 -3.8878 -3.8705 -3.8705 -2.2886 -2.2886 -2.2873 -2.2873 -2.1881 -2.1881 -2.1872 -2.1872 -1.9521 -1.9521 -1.9502 -1.9502 -1.9180 -1.9180 -1.9171 -1.9171 -1.6688 -1.6688 -1.6632 -1.6632 0.1667 0.1667 0.2452 0.2452 3.4874 3.4874 3.5155 3.5155 4.1007 4.1007 4.1808 4.1808 6.1861 6.1861 6.4060 6.4060 6.6383 6.6383 6.6833 6.6833 9.7301 9.7301 k = 0.5000 0.2887 0.1441 ( 6464 PWs) bands (ev): -25.6273 -25.6273 -25.6271 -25.6271 -9.3388 -9.3388 -9.3381 -9.3381 -9.0914 -9.0914 -9.0901 -9.0901 -9.0493 -9.0493 -9.0443 -9.0443 -3.8898 -3.8898 -3.8685 -3.8685 -2.2887 -2.2887 -2.2872 -2.2872 -2.1882 -2.1882 -2.1871 -2.1871 -1.9523 -1.9523 -1.9499 -1.9499 -1.9181 -1.9181 -1.9170 -1.9170 -1.6694 -1.6694 -1.6625 -1.6625 0.1581 0.1581 0.2546 0.2546 3.4840 3.4840 3.5186 3.5186 4.0892 4.0892 4.1865 4.1865 6.1527 6.1527 6.3861 6.3861 6.6667 6.6667 6.7595 6.7595 9.6369 9.6369 k = 0.5000 0.2887 0.1297 ( 6456 PWs) bands (ev): -25.6273 -25.6273 -25.6271 -25.6271 -9.3388 -9.3388 -9.3380 -9.3380 -9.0915 -9.0915 -9.0900 -9.0900 -9.0497 -9.0497 -9.0438 -9.0438 -3.8917 -3.8917 -3.8666 -3.8666 -2.2889 -2.2889 -2.2870 -2.2870 -2.1883 -2.1883 -2.1870 -2.1870 -1.9525 -1.9525 -1.9497 -1.9497 -1.9182 -1.9182 -1.9169 -1.9169 -1.6701 -1.6701 -1.6619 -1.6619 0.1501 0.1501 0.2635 0.2635 3.4808 3.4808 3.5214 3.5214 4.0781 4.0781 4.1910 4.1910 6.1245 6.1245 6.3665 6.3665 6.6929 6.6929 6.8410 6.8410 9.5503 9.5503 k = 0.5000 0.2887 0.1153 ( 6468 PWs) bands (ev): -25.6273 -25.6273 -25.6271 -25.6271 -9.3389 -9.3389 -9.3380 -9.3380 -9.0917 -9.0917 -9.0899 -9.0899 -9.0500 -9.0500 -9.0434 -9.0434 -3.8934 -3.8934 -3.8649 -3.8649 -2.2890 -2.2890 -2.2869 -2.2869 -2.1884 -2.1884 -2.1869 -2.1869 -1.9527 -1.9527 -1.9495 -1.9495 -1.9183 -1.9183 -1.9168 -1.9168 -1.6707 -1.6707 -1.6614 -1.6614 0.1427 0.1427 0.2719 0.2719 3.4778 3.4778 3.5239 3.5239 4.0676 4.0676 4.1943 4.1943 6.1011 6.1011 6.3482 6.3482 6.7174 6.7174 6.9255 6.9255 9.4709 9.4709 k = 0.5000 0.2887 0.1009 ( 6468 PWs) bands (ev): -25.6273 -25.6273 -25.6271 -25.6271 -9.3390 -9.3390 -9.3380 -9.3380 -9.0918 -9.0918 -9.0899 -9.0899 -9.0503 -9.0503 -9.0429 -9.0429 -3.8950 -3.8950 -3.8633 -3.8633 -2.2891 -2.2891 -2.2868 -2.2868 -2.1885 -2.1885 -2.1869 -2.1869 -1.9529 -1.9529 -1.9493 -1.9493 -1.9184 -1.9184 -1.9167 -1.9167 -1.6712 -1.6712 -1.6609 -1.6609 0.1360 0.1360 0.2796 0.2796 3.4750 3.4750 3.5262 3.5262 4.0579 4.0579 4.1966 4.1966 6.0823 6.0823 6.3315 6.3315 6.7401 6.7401 7.0111 7.0111 9.3993 9.3993 k = 0.5000 0.2887 0.0865 ( 6472 PWs) bands (ev): -25.6273 -25.6273 -25.6270 -25.6270 -9.3390 -9.3390 -9.3379 -9.3379 -9.0919 -9.0919 -9.0898 -9.0898 -9.0506 -9.0506 -9.0426 -9.0426 -3.8964 -3.8964 -3.8619 -3.8619 -2.2892 -2.2892 -2.2867 -2.2867 -2.1886 -2.1886 -2.1868 -2.1868 -1.9531 -1.9531 -1.9491 -1.9491 -1.9184 -1.9184 -1.9166 -1.9166 -1.6717 -1.6717 -1.6605 -1.6605 0.1302 0.1302 0.2865 0.2865 3.4725 3.4725 3.5282 3.5282 4.0491 4.0491 4.1980 4.1980 6.0676 6.0676 6.3167 6.3167 6.7604 6.7604 7.0959 7.0959 9.3356 9.3356 k = 0.5000 0.2887 0.0721 ( 6470 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3391 -9.3391 -9.3379 -9.3379 -9.0920 -9.0920 -9.0898 -9.0898 -9.0508 -9.0508 -9.0422 -9.0422 -3.8976 -3.8976 -3.8607 -3.8607 -2.2893 -2.2893 -2.2866 -2.2866 -2.1887 -2.1887 -2.1867 -2.1867 -1.9532 -1.9532 -1.9490 -1.9490 -1.9185 -1.9185 -1.9166 -1.9166 -1.6721 -1.6721 -1.6601 -1.6601 0.1251 0.1251 0.2925 0.2925 3.4704 3.4704 3.5300 3.5300 4.0415 4.0415 4.1987 4.1987 6.0563 6.0563 6.3040 6.3040 6.7783 6.7783 7.1778 7.1778 9.2563 9.2563 k = 0.5000 0.2887 0.0577 ( 6466 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3391 -9.3391 -9.3379 -9.3379 -9.0921 -9.0921 -9.0898 -9.0898 -9.0510 -9.0510 -9.0419 -9.0419 -3.8987 -3.8987 -3.8597 -3.8597 -2.2894 -2.2894 -2.2865 -2.2865 -2.1887 -2.1887 -2.1867 -2.1867 -1.9533 -1.9533 -1.9489 -1.9489 -1.9185 -1.9185 -1.9165 -1.9165 -1.6725 -1.6725 -1.6598 -1.6598 0.1209 0.1209 0.2975 0.2975 3.4686 3.4686 3.5314 3.5314 4.0352 4.0352 4.1989 4.1989 6.0480 6.0480 6.2935 6.2935 6.7933 6.7933 7.2537 7.2537 9.1516 9.1516 k = 0.5000 0.2887 0.0432 ( 6458 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0897 -9.0897 -9.0511 -9.0511 -9.0417 -9.0417 -3.8995 -3.8995 -3.8589 -3.8589 -2.2895 -2.2895 -2.2864 -2.2864 -2.1887 -2.1887 -2.1866 -2.1866 -1.9534 -1.9534 -1.9488 -1.9488 -1.9186 -1.9186 -1.9164 -1.9164 -1.6727 -1.6727 -1.6596 -1.6596 0.1176 0.1176 0.3015 0.3015 3.4672 3.4672 3.5325 3.5325 4.0301 4.0301 4.1989 4.1989 6.0422 6.0422 6.2852 6.2852 6.8052 6.8052 7.3201 7.3201 9.0619 9.0619 k = 0.5000 0.2887 0.0288 ( 6450 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0897 -9.0897 -9.0512 -9.0512 -9.0416 -9.0416 -3.9000 -3.9000 -3.8583 -3.8583 -2.2895 -2.2895 -2.2864 -2.2864 -2.1887 -2.1887 -2.1866 -2.1866 -1.9534 -1.9534 -1.9487 -1.9487 -1.9186 -1.9186 -1.9164 -1.9164 -1.6729 -1.6729 -1.6594 -1.6594 0.1152 0.1152 0.3044 0.3044 3.4662 3.4662 3.5332 3.5332 4.0264 4.0264 4.1987 4.1987 6.0383 6.0383 6.2793 6.2793 6.8138 6.8138 7.3726 7.3726 8.9927 8.9927 k = 0.5000 0.2887 0.0144 ( 6446 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0897 -9.0897 -9.0513 -9.0513 -9.0415 -9.0415 -3.9004 -3.9004 -3.8579 -3.8579 -2.2895 -2.2895 -2.2864 -2.2864 -2.1888 -2.1888 -2.1866 -2.1866 -1.9535 -1.9535 -1.9487 -1.9487 -1.9186 -1.9186 -1.9164 -1.9164 -1.6731 -1.6731 -1.6593 -1.6593 0.1138 0.1138 0.3062 0.3062 3.4655 3.4655 3.5337 3.5337 4.0242 4.0242 4.1986 4.1986 6.0362 6.0362 6.2757 6.2757 6.8190 6.8190 7.4066 7.4066 8.9487 8.9487 k = 0.5000 0.2887-0.0000 ( 6446 PWs) bands (ev): -25.6274 -25.6274 -25.6270 -25.6270 -9.3392 -9.3392 -9.3379 -9.3379 -9.0922 -9.0922 -9.0897 -9.0897 -9.0513 -9.0513 -9.0414 -9.0414 -3.9005 -3.9005 -3.8578 -3.8578 -2.2895 -2.2895 -2.2863 -2.2863 -2.1888 -2.1888 -2.1866 -2.1866 -1.9535 -1.9535 -1.9486 -1.9486 -1.9186 -1.9186 -1.9164 -1.9164 -1.6731 -1.6731 -1.6593 -1.6593 0.1133 0.1133 0.3068 0.3068 3.4653 3.4653 3.5339 3.5339 4.0235 4.0235 4.1985 4.1985 6.0355 6.0355 6.2745 6.2745 6.8208 6.8208 7.4184 7.4184 8.9335 8.9335 k = 0.3333 0.5774-0.0000 ( 6459 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3386 -9.3386 -9.0939 -9.0939 -9.0855 -9.0855 -9.0638 -9.0638 -9.0511 -9.0511 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6785 -1.6785 -1.4947 -1.4947 0.1929 0.1929 0.3289 0.3289 1.9408 1.9408 2.3438 2.3438 4.2973 4.2973 4.3137 4.3137 6.5170 6.5170 6.5197 6.5197 8.7105 8.7105 8.8114 8.8114 8.9327 8.9327 k = 0.3333 0.5774 0.0144 ( 6453 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3385 -9.3385 -9.0939 -9.0939 -9.0856 -9.0856 -9.0638 -9.0638 -9.0512 -9.0512 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2747 -2.2747 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6785 -1.6785 -1.4947 -1.4947 0.1929 0.1929 0.3289 0.3289 1.9415 1.9415 2.3430 2.3430 4.2977 4.2977 4.3141 4.3141 6.5147 6.5147 6.5173 6.5173 8.7142 8.7142 8.8169 8.8169 8.9388 8.9388 k = 0.3333 0.5774 0.0288 ( 6456 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3385 -9.3385 -9.0939 -9.0939 -9.0856 -9.0856 -9.0637 -9.0637 -9.0513 -9.0513 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2747 -2.2747 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6785 -1.6785 -1.4947 -1.4947 0.1929 0.1929 0.3289 0.3289 1.9434 1.9434 2.3406 2.3406 4.2989 4.2989 4.3154 4.3154 6.5079 6.5079 6.5103 6.5103 8.7254 8.7254 8.8334 8.8334 8.9569 8.9569 k = 0.3333 0.5774 0.0432 ( 6450 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3392 -9.3392 -9.3385 -9.3385 -9.0937 -9.0937 -9.0857 -9.0857 -9.0635 -9.0635 -9.0514 -9.0514 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2747 -2.2747 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6785 -1.6785 -1.4947 -1.4947 0.1929 0.1929 0.3289 0.3289 1.9466 1.9466 2.3367 2.3367 4.3008 4.3008 4.3175 4.3175 6.4969 6.4969 6.4991 6.4991 8.7439 8.7439 8.8601 8.8601 8.9867 8.9867 k = 0.3333 0.5774 0.0577 ( 6447 PWs) bands (ev): -25.6268 -25.6268 -25.6264 -25.6264 -9.3393 -9.3393 -9.3385 -9.3385 -9.0936 -9.0936 -9.0859 -9.0859 -9.0633 -9.0633 -9.0517 -9.0517 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2747 -2.2747 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6785 -1.6785 -1.4947 -1.4947 0.1929 0.1929 0.3288 0.3288 1.9509 1.9509 2.3314 2.3314 4.3035 4.3035 4.3202 4.3202 6.4824 6.4824 6.4843 6.4843 8.7698 8.7698 8.8965 8.8965 9.0272 9.0272 k = 0.3333 0.5774 0.0721 ( 6456 PWs) bands (ev): -25.6268 -25.6268 -25.6265 -25.6265 -9.3393 -9.3393 -9.3384 -9.3384 -9.0934 -9.0934 -9.0861 -9.0861 -9.0630 -9.0630 -9.0520 -9.0520 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9235 -1.9235 -1.6785 -1.6785 -1.4948 -1.4948 0.1928 0.1928 0.3288 0.3288 1.9564 1.9564 2.3248 2.3248 4.3066 4.3066 4.3236 4.3236 6.4652 6.4652 6.4666 6.4666 8.8029 8.8029 8.9413 8.9413 9.0777 9.0777 k = 0.3333 0.5774 0.0865 ( 6462 PWs) bands (ev): -25.6268 -25.6268 -25.6265 -25.6265 -9.3393 -9.3393 -9.3384 -9.3384 -9.0932 -9.0932 -9.0863 -9.0863 -9.0626 -9.0626 -9.0524 -9.0524 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0267 -2.0267 -1.9675 -1.9675 -1.9434 -1.9434 -1.9313 -1.9313 -1.9236 -1.9236 -1.6786 -1.6786 -1.4948 -1.4948 0.1928 0.1928 0.3287 0.3287 1.9627 1.9627 2.3171 2.3171 4.3102 4.3102 4.3275 4.3275 6.4461 6.4461 6.4470 6.4470 8.8430 8.8430 8.9932 8.9932 9.1370 9.1370 k = 0.3333 0.5774 0.1009 ( 6468 PWs) bands (ev): -25.6268 -25.6268 -25.6265 -25.6265 -9.3394 -9.3394 -9.3383 -9.3383 -9.0930 -9.0930 -9.0866 -9.0866 -9.0623 -9.0623 -9.0528 -9.0528 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0267 -2.0267 -1.9675 -1.9675 -1.9435 -1.9435 -1.9313 -1.9313 -1.9236 -1.9236 -1.6786 -1.6786 -1.4948 -1.4948 0.1927 0.1927 0.3287 0.3287 1.9698 1.9698 2.3086 2.3086 4.3141 4.3141 4.3316 4.3316 6.4260 6.4260 6.4265 6.4265 8.8901 8.8901 9.0508 9.0508 9.2037 9.2037 k = 0.3333 0.5774 0.1153 ( 6456 PWs) bands (ev): -25.6267 -25.6267 -25.6265 -25.6265 -9.3394 -9.3394 -9.3383 -9.3383 -9.0927 -9.0927 -9.0869 -9.0869 -9.0618 -9.0618 -9.0533 -9.0533 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0267 -2.0267 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9236 -1.9236 -1.6786 -1.6786 -1.4948 -1.4948 0.1927 0.1927 0.3286 0.3286 1.9775 1.9775 2.2995 2.2995 4.3182 4.3182 4.3359 4.3359 6.4058 6.4058 6.4059 6.4059 8.9439 8.9439 9.1123 9.1123 9.2765 9.2765 k = 0.3333 0.5774 0.1297 ( 6450 PWs) bands (ev): -25.6267 -25.6267 -25.6265 -25.6265 -9.3394 -9.3394 -9.3382 -9.3382 -9.0924 -9.0924 -9.0872 -9.0872 -9.0613 -9.0613 -9.0538 -9.0538 -3.7879 -3.7879 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0267 -2.0267 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9235 -1.9235 -1.6786 -1.6786 -1.4948 -1.4948 0.1927 0.1927 0.3286 0.3286 1.9854 1.9854 2.2902 2.2902 4.3221 4.3221 4.3402 4.3402 6.3860 6.3860 6.3866 6.3866 9.0043 9.0043 9.1755 9.1755 9.3535 9.3535 k = 0.3333 0.5774 0.1441 ( 6453 PWs) bands (ev): -25.6267 -25.6267 -25.6265 -25.6265 -9.3394 -9.3394 -9.3382 -9.3382 -9.0920 -9.0920 -9.0875 -9.0875 -9.0608 -9.0608 -9.0544 -9.0544 -3.7878 -3.7878 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0268 -2.0268 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9235 -1.9235 -1.6786 -1.6786 -1.4948 -1.4948 0.1926 0.1926 0.3285 0.3285 1.9933 1.9933 2.2810 2.2810 4.3259 4.3259 4.3442 4.3442 6.3678 6.3678 6.3689 6.3689 9.0709 9.0709 9.2381 9.2381 9.4328 9.4328 k = 0.3333 0.5774 0.1585 ( 6453 PWs) bands (ev): -25.6267 -25.6267 -25.6266 -25.6266 -9.3394 -9.3394 -9.3382 -9.3382 -9.0917 -9.0917 -9.0878 -9.0878 -9.0602 -9.0602 -9.0550 -9.0550 -3.7878 -3.7878 -3.7495 -3.7495 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0268 -2.0268 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9235 -1.9235 -1.6786 -1.6786 -1.4948 -1.4948 0.1926 0.1926 0.3285 0.3285 2.0007 2.0007 2.2725 2.2725 4.3292 4.3292 4.3477 4.3477 6.3519 6.3519 6.3534 6.3534 9.1437 9.1437 9.2972 9.2972 9.5116 9.5116 k = 0.3333 0.5774 0.1730 ( 6447 PWs) bands (ev): -25.6267 -25.6267 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0914 -9.0914 -9.0882 -9.0882 -9.0596 -9.0596 -9.0556 -9.0556 -3.7878 -3.7878 -3.7495 -3.7495 -2.3003 -2.3003 -2.2861 -2.2861 -2.2748 -2.2748 -2.0268 -2.0268 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9235 -1.9235 -1.6786 -1.6786 -1.4948 -1.4948 0.1926 0.1926 0.3284 0.3284 2.0072 2.0072 2.2650 2.2650 4.3320 4.3320 4.3507 4.3507 6.3388 6.3388 6.3408 6.3408 9.2223 9.2223 9.3494 9.3494 9.5862 9.5862 k = 0.3333 0.5774 0.1874 ( 6441 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0911 -9.0911 -9.0885 -9.0885 -9.0589 -9.0589 -9.0562 -9.0562 -3.7878 -3.7878 -3.7494 -3.7494 -2.3003 -2.3003 -2.2861 -2.2861 -2.2748 -2.2748 -2.0268 -2.0268 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9235 -1.9235 -1.6786 -1.6786 -1.4948 -1.4948 0.1926 0.1926 0.3284 0.3284 2.0123 2.0123 2.2592 2.2592 4.3341 4.3341 4.3530 4.3530 6.3292 6.3292 6.3314 6.3314 9.3065 9.3065 9.3909 9.3909 9.6502 9.6502 k = 0.3333 0.5774 0.2018 ( 6441 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0908 -9.0908 -9.0887 -9.0887 -9.0583 -9.0583 -9.0569 -9.0569 -3.7878 -3.7878 -3.7494 -3.7494 -2.3003 -2.3003 -2.2861 -2.2861 -2.2748 -2.2748 -2.0268 -2.0268 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9235 -1.9235 -1.6786 -1.6786 -1.4948 -1.4948 0.1925 0.1925 0.3284 0.3284 2.0156 2.0156 2.2555 2.2555 4.3354 4.3354 4.3543 4.3543 6.3233 6.3233 6.3256 6.3256 9.3959 9.3959 9.4179 9.4179 9.5902 9.5902 k = 0.3333 0.5774 0.2162 ( 6456 PWs) bands (ev): -25.6266 -25.6266 -25.6266 -25.6266 -9.3394 -9.3394 -9.3381 -9.3381 -9.0908 -9.0908 -9.0888 -9.0888 -9.0578 -9.0578 -9.0574 -9.0574 -3.7878 -3.7878 -3.7494 -3.7494 -2.3003 -2.3003 -2.2862 -2.2862 -2.2748 -2.2748 -2.0268 -2.0268 -1.9675 -1.9675 -1.9435 -1.9435 -1.9312 -1.9312 -1.9236 -1.9236 -1.6786 -1.6786 -1.4948 -1.4948 0.1925 0.1925 0.3284 0.3284 2.0167 2.0167 2.2542 2.2542 4.3358 4.3358 4.3548 4.3548 6.3213 6.3213 6.3237 6.3237 9.4273 9.4273 9.4834 9.4834 9.4980 9.4980 Writing output data file KZnSb.save init_run : 0.38s CPU 0.51s WALL ( 1 calls) electrons : 255.52s CPU 258.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 255.51s CPU 258.47s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s 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 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.12s WALL ( 276 calls) cegterg : 235.92s CPU 238.34s WALL ( 568 calls) Called by sum_band: Called by *egterg: h_psi : 126.36s CPU 128.15s WALL ( 9130 calls) s_psi : 10.91s CPU 10.88s WALL ( 9130 calls) g_psi : 0.48s CPU 0.40s WALL ( 8286 calls) cdiaghg : 82.91s CPU 83.36s WALL ( 8562 calls) cegterg:over : 11.49s CPU 11.35s WALL ( 8286 calls) cegterg:upda : 10.72s CPU 11.06s WALL ( 8286 calls) cegterg:last : 4.25s CPU 4.28s WALL ( 1120 calls) cdiaghg:chol : 4.68s CPU 4.76s WALL ( 8562 calls) cdiaghg:inve : 3.22s CPU 3.41s WALL ( 8562 calls) cdiaghg:para : 5.66s CPU 5.51s WALL ( 17124 calls) Called by h_psi: h_psi:vloc : 102.58s CPU 104.26s WALL ( 9130 calls) h_psi:vnl : 23.37s CPU 23.46s WALL ( 9130 calls) add_vuspsi : 12.54s CPU 12.65s WALL ( 9130 calls) General routines calbec : 10.80s CPU 10.78s WALL ( 9130 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 96.61s CPU 97.85s WALL ( 905184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.27s WALL ( 552 calls) Parallel routines fft_scatter : 31.67s CPU 31.98s WALL ( 905207 calls) PWSCF : 4m36.76s CPU 4m51.46s WALL This run was terminated on: 19:44:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=