Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:16:30 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: ./FeSb.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 20 6 868 570 94 Max 27 21 7 875 587 98 Sum 967 745 223 31387 20861 3449 bravais-lattice index = 14 lattice parameter (alat) = 7.6723 a.u. unit-cell volume = 494.1930 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.672288 celldm(2)= 1.000000 celldm(3)= 1.263547 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.263547 ) 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 0.791423 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Sb 5.00 121.76000 Sb( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6317734 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6317734 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6317734 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6317734 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6317734 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6317734 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6317734 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6317734 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6317734 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6317734 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6317734 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6317734 ) 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0028736 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0028736 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0028736 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0028736 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0028736 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0028736 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0028736 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0028736 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0028736 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0028736 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0028736 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028736 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0028736 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0028736 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0028736 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0028736 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0028736 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0028736 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0028736 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0028736 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0028736 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0028736 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0028736 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0028736 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0028736 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0028736 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0028736 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0028736 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0028736 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0028736 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0028736 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0028736 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0028736 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0028736 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0028736 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028736 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0028736 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0028736 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0028736 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0028736 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0028736 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0028736 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0028736 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0028736 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0028736 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0028736 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0028736 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0028736 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0028736 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0028736 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0028736 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0028736 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0028736 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0028736 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0028736 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0028736 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0028736 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0028736 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0028736 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0028736 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028736 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0028736 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0028736 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0028736 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0028736 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0028736 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0028736 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0028736 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0028736 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0028736 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0028736 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.0127649), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0255298), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0382947), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0510595), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0638244), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0765893), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.0893542), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.1021191), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1148840), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1276489), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1404138), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1531786), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.1659435), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1787084), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.1914733), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2042382), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.2170031), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2297680), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.2425329), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2552977), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.2680626), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.2808275), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.2935924), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3063573), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.3191222), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.3318871), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.3446520), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.3574168), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.3701817), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.3829466), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.3957115), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.3957115), wk = 0.0028736 k( 160) = ( 0.0111111 0.0064150 0.3957115), wk = 0.0028736 k( 161) = ( 0.0222222 0.0128300 0.3957115), wk = 0.0028736 k( 162) = ( 0.0333333 0.0192450 0.3957115), wk = 0.0028736 k( 163) = ( 0.0444444 0.0256600 0.3957115), wk = 0.0028736 k( 164) = ( 0.0555556 0.0320750 0.3957115), wk = 0.0028736 k( 165) = ( 0.0666667 0.0384900 0.3957115), wk = 0.0028736 k( 166) = ( 0.0777778 0.0449050 0.3957115), wk = 0.0028736 k( 167) = ( 0.0888889 0.0513200 0.3957115), wk = 0.0028736 k( 168) = ( 0.1000000 0.0577350 0.3957115), wk = 0.0028736 k( 169) = ( 0.1111111 0.0641500 0.3957115), wk = 0.0028736 k( 170) = ( 0.1222222 0.0705650 0.3957115), wk = 0.0028736 k( 171) = ( 0.1333333 0.0769800 0.3957115), wk = 0.0028736 k( 172) = ( 0.1444444 0.0833950 0.3957115), wk = 0.0028736 k( 173) = ( 0.1555556 0.0898100 0.3957115), wk = 0.0028736 k( 174) = ( 0.1666667 0.0962250 0.3957115), wk = 0.0028736 k( 175) = ( 0.1777778 0.1026400 0.3957115), wk = 0.0028736 k( 176) = ( 0.1888889 0.1090551 0.3957115), wk = 0.0028736 k( 177) = ( 0.2000000 0.1154701 0.3957115), wk = 0.0028736 k( 178) = ( 0.2111111 0.1218851 0.3957115), wk = 0.0028736 k( 179) = ( 0.2222222 0.1283001 0.3957115), wk = 0.0028736 k( 180) = ( 0.2333333 0.1347151 0.3957115), wk = 0.0028736 k( 181) = ( 0.2444444 0.1411301 0.3957115), wk = 0.0028736 k( 182) = ( 0.2555556 0.1475451 0.3957115), wk = 0.0028736 k( 183) = ( 0.2666667 0.1539601 0.3957115), wk = 0.0028736 k( 184) = ( 0.2777778 0.1603751 0.3957115), wk = 0.0028736 k( 185) = ( 0.2888889 0.1667901 0.3957115), wk = 0.0028736 k( 186) = ( 0.3000000 0.1732051 0.3957115), wk = 0.0028736 k( 187) = ( 0.3111111 0.1796201 0.3957115), wk = 0.0028736 k( 188) = ( 0.3222222 0.1860351 0.3957115), wk = 0.0028736 k( 189) = ( 0.3333333 0.1924501 0.3957115), wk = 0.0028736 k( 190) = ( 0.3444444 0.1988651 0.3957115), wk = 0.0028736 k( 191) = ( 0.3555556 0.2052801 0.3957115), wk = 0.0028736 k( 192) = ( 0.3666667 0.2116951 0.3957115), wk = 0.0028736 k( 193) = ( 0.3777778 0.2181101 0.3957115), wk = 0.0028736 k( 194) = ( 0.3888889 0.2245251 0.3957115), wk = 0.0028736 k( 195) = ( 0.4000000 0.2309401 0.3957115), wk = 0.0028736 k( 196) = ( 0.4111111 0.2373551 0.3957115), wk = 0.0028736 k( 197) = ( 0.4222222 0.2437701 0.3957115), wk = 0.0028736 k( 198) = ( 0.4333333 0.2501851 0.3957115), wk = 0.0028736 k( 199) = ( 0.4444444 0.2566001 0.3957115), wk = 0.0028736 k( 200) = ( 0.4555556 0.2630151 0.3957115), wk = 0.0028736 k( 201) = ( 0.4666667 0.2694301 0.3957115), wk = 0.0028736 k( 202) = ( 0.4777778 0.2758451 0.3957115), wk = 0.0028736 k( 203) = ( 0.4888889 0.2822601 0.3957115), wk = 0.0028736 k( 204) = ( 0.5000000 0.2886751 0.3957115), wk = 0.0028736 k( 205) = ( 0.5000000 0.2886751 0.3957115), wk = 0.0028736 k( 206) = ( 0.4935897 0.2997780 0.3957115), wk = 0.0028736 k( 207) = ( 0.4871795 0.3108809 0.3957115), wk = 0.0028736 k( 208) = ( 0.4807692 0.3219838 0.3957115), wk = 0.0028736 k( 209) = ( 0.4743590 0.3330867 0.3957115), wk = 0.0028736 k( 210) = ( 0.4679487 0.3441896 0.3957115), wk = 0.0028736 k( 211) = ( 0.4615385 0.3552925 0.3957115), wk = 0.0028736 k( 212) = ( 0.4551282 0.3663954 0.3957115), wk = 0.0028736 k( 213) = ( 0.4487179 0.3774983 0.3957115), wk = 0.0028736 k( 214) = ( 0.4423077 0.3886011 0.3957115), wk = 0.0028736 k( 215) = ( 0.4358974 0.3997040 0.3957115), wk = 0.0028736 k( 216) = ( 0.4294872 0.4108069 0.3957115), wk = 0.0028736 k( 217) = ( 0.4230769 0.4219098 0.3957115), wk = 0.0028736 k( 218) = ( 0.4166667 0.4330127 0.3957115), wk = 0.0028736 k( 219) = ( 0.4102564 0.4441156 0.3957115), wk = 0.0028736 k( 220) = ( 0.4038462 0.4552185 0.3957115), wk = 0.0028736 k( 221) = ( 0.3974359 0.4663214 0.3957115), wk = 0.0028736 k( 222) = ( 0.3910256 0.4774243 0.3957115), wk = 0.0028736 k( 223) = ( 0.3846154 0.4885271 0.3957115), wk = 0.0028736 k( 224) = ( 0.3782051 0.4996300 0.3957115), wk = 0.0028736 k( 225) = ( 0.3717949 0.5107329 0.3957115), wk = 0.0028736 k( 226) = ( 0.3653846 0.5218358 0.3957115), wk = 0.0028736 k( 227) = ( 0.3589744 0.5329387 0.3957115), wk = 0.0028736 k( 228) = ( 0.3525641 0.5440416 0.3957115), wk = 0.0028736 k( 229) = ( 0.3461538 0.5551445 0.3957115), wk = 0.0028736 k( 230) = ( 0.3397436 0.5662474 0.3957115), wk = 0.0028736 k( 231) = ( 0.3333333 0.5773503 0.3957115), wk = 0.0028736 k( 232) = ( 0.3333333 0.5773503 0.3957115), wk = 0.0028736 k( 233) = ( 0.3269231 0.5662474 0.3957115), wk = 0.0028736 k( 234) = ( 0.3205128 0.5551445 0.3957115), wk = 0.0028736 k( 235) = ( 0.3141026 0.5440416 0.3957115), wk = 0.0028736 k( 236) = ( 0.3076923 0.5329387 0.3957115), wk = 0.0028736 k( 237) = ( 0.3012821 0.5218358 0.3957115), wk = 0.0028736 k( 238) = ( 0.2948718 0.5107329 0.3957115), wk = 0.0028736 k( 239) = ( 0.2884615 0.4996300 0.3957115), wk = 0.0028736 k( 240) = ( 0.2820513 0.4885271 0.3957115), wk = 0.0028736 k( 241) = ( 0.2756410 0.4774243 0.3957115), wk = 0.0028736 k( 242) = ( 0.2692308 0.4663214 0.3957115), wk = 0.0028736 k( 243) = ( 0.2628205 0.4552185 0.3957115), wk = 0.0028736 k( 244) = ( 0.2564103 0.4441156 0.3957115), wk = 0.0028736 k( 245) = ( 0.2500000 0.4330127 0.3957115), wk = 0.0028736 k( 246) = ( 0.2435897 0.4219098 0.3957115), wk = 0.0028736 k( 247) = ( 0.2371795 0.4108069 0.3957115), wk = 0.0028736 k( 248) = ( 0.2307692 0.3997040 0.3957115), wk = 0.0028736 k( 249) = ( 0.2243590 0.3886011 0.3957115), wk = 0.0028736 k( 250) = ( 0.2179487 0.3774983 0.3957115), wk = 0.0028736 k( 251) = ( 0.2115385 0.3663954 0.3957115), wk = 0.0028736 k( 252) = ( 0.2051282 0.3552925 0.3957115), wk = 0.0028736 k( 253) = ( 0.1987180 0.3441896 0.3957115), wk = 0.0028736 k( 254) = ( 0.1923077 0.3330867 0.3957115), wk = 0.0028736 k( 255) = ( 0.1858974 0.3219838 0.3957115), wk = 0.0028736 k( 256) = ( 0.1794872 0.3108809 0.3957115), wk = 0.0028736 k( 257) = ( 0.1730769 0.2997780 0.3957115), wk = 0.0028736 k( 258) = ( 0.1666667 0.2886751 0.3957115), wk = 0.0028736 k( 259) = ( 0.1602564 0.2775722 0.3957115), wk = 0.0028736 k( 260) = ( 0.1538461 0.2664693 0.3957115), wk = 0.0028736 k( 261) = ( 0.1474359 0.2553665 0.3957115), wk = 0.0028736 k( 262) = ( 0.1410256 0.2442636 0.3957115), wk = 0.0028736 k( 263) = ( 0.1346154 0.2331607 0.3957115), wk = 0.0028736 k( 264) = ( 0.1282051 0.2220578 0.3957115), wk = 0.0028736 k( 265) = ( 0.1217949 0.2109549 0.3957115), wk = 0.0028736 k( 266) = ( 0.1153846 0.1998520 0.3957115), wk = 0.0028736 k( 267) = ( 0.1089744 0.1887491 0.3957115), wk = 0.0028736 k( 268) = ( 0.1025641 0.1776462 0.3957115), wk = 0.0028736 k( 269) = ( 0.0961538 0.1665434 0.3957115), wk = 0.0028736 k( 270) = ( 0.0897436 0.1554405 0.3957115), wk = 0.0028736 k( 271) = ( 0.0833333 0.1443376 0.3957115), wk = 0.0028736 k( 272) = ( 0.0769231 0.1332347 0.3957115), wk = 0.0028736 k( 273) = ( 0.0705128 0.1221318 0.3957115), wk = 0.0028736 k( 274) = ( 0.0641026 0.1110289 0.3957115), wk = 0.0028736 k( 275) = ( 0.0576923 0.0999260 0.3957115), wk = 0.0028736 k( 276) = ( 0.0512821 0.0888231 0.3957115), wk = 0.0028736 k( 277) = ( 0.0448718 0.0777202 0.3957115), wk = 0.0028736 k( 278) = ( 0.0384615 0.0666173 0.3957115), wk = 0.0028736 k( 279) = ( 0.0320513 0.0555144 0.3957115), wk = 0.0028736 k( 280) = ( 0.0256410 0.0444116 0.3957115), wk = 0.0028736 k( 281) = ( 0.0192308 0.0333087 0.3957115), wk = 0.0028736 k( 282) = ( 0.0128205 0.0222058 0.3957115), wk = 0.0028736 k( 283) = ( 0.0064103 0.0111029 0.3957115), wk = 0.0028736 k( 284) = ( 0.0000000 0.0000000 0.3957115), wk = 0.0028736 k( 285) = ( 0.5000000 0.2886751 0.3957115), wk = 0.0028736 k( 286) = ( 0.5000000 0.2886751 0.3829466), wk = 0.0028736 k( 287) = ( 0.5000000 0.2886751 0.3701817), wk = 0.0028736 k( 288) = ( 0.5000000 0.2886751 0.3574168), wk = 0.0028736 k( 289) = ( 0.5000000 0.2886751 0.3446520), wk = 0.0028736 k( 290) = ( 0.5000000 0.2886751 0.3318871), wk = 0.0028736 k( 291) = ( 0.5000000 0.2886751 0.3191222), wk = 0.0028736 k( 292) = ( 0.5000000 0.2886751 0.3063573), wk = 0.0028736 k( 293) = ( 0.5000000 0.2886751 0.2935924), wk = 0.0028736 k( 294) = ( 0.5000000 0.2886751 0.2808275), wk = 0.0028736 k( 295) = ( 0.5000000 0.2886751 0.2680626), wk = 0.0028736 k( 296) = ( 0.5000000 0.2886751 0.2552977), wk = 0.0028736 k( 297) = ( 0.5000000 0.2886751 0.2425329), wk = 0.0028736 k( 298) = ( 0.5000000 0.2886751 0.2297680), wk = 0.0028736 k( 299) = ( 0.5000000 0.2886751 0.2170031), wk = 0.0028736 k( 300) = ( 0.5000000 0.2886751 0.2042382), wk = 0.0028736 k( 301) = ( 0.5000000 0.2886751 0.1914733), wk = 0.0028736 k( 302) = ( 0.5000000 0.2886751 0.1787084), wk = 0.0028736 k( 303) = ( 0.5000000 0.2886751 0.1659435), wk = 0.0028736 k( 304) = ( 0.5000000 0.2886751 0.1531786), wk = 0.0028736 k( 305) = ( 0.5000000 0.2886751 0.1404138), wk = 0.0028736 k( 306) = ( 0.5000000 0.2886751 0.1276489), wk = 0.0028736 k( 307) = ( 0.5000000 0.2886751 0.1148840), wk = 0.0028736 k( 308) = ( 0.5000000 0.2886751 0.1021191), wk = 0.0028736 k( 309) = ( 0.5000000 0.2886751 0.0893542), wk = 0.0028736 k( 310) = ( 0.5000000 0.2886751 0.0765893), wk = 0.0028736 k( 311) = ( 0.5000000 0.2886751 0.0638244), wk = 0.0028736 k( 312) = ( 0.5000000 0.2886751 0.0510595), wk = 0.0028736 k( 313) = ( 0.5000000 0.2886751 0.0382947), wk = 0.0028736 k( 314) = ( 0.5000000 0.2886751 0.0255298), wk = 0.0028736 k( 315) = ( 0.5000000 0.2886751 0.0127649), wk = 0.0028736 k( 316) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 317) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 318) = ( 0.3333333 0.5773503 0.0127649), wk = 0.0028736 k( 319) = ( 0.3333333 0.5773503 0.0255298), wk = 0.0028736 k( 320) = ( 0.3333333 0.5773503 0.0382947), wk = 0.0028736 k( 321) = ( 0.3333333 0.5773503 0.0510595), wk = 0.0028736 k( 322) = ( 0.3333333 0.5773503 0.0638244), wk = 0.0028736 k( 323) = ( 0.3333333 0.5773503 0.0765893), wk = 0.0028736 k( 324) = ( 0.3333333 0.5773503 0.0893542), wk = 0.0028736 k( 325) = ( 0.3333333 0.5773503 0.1021191), wk = 0.0028736 k( 326) = ( 0.3333333 0.5773503 0.1148840), wk = 0.0028736 k( 327) = ( 0.3333333 0.5773503 0.1276489), wk = 0.0028736 k( 328) = ( 0.3333333 0.5773503 0.1404138), wk = 0.0028736 k( 329) = ( 0.3333333 0.5773503 0.1531786), wk = 0.0028736 k( 330) = ( 0.3333333 0.5773503 0.1659435), wk = 0.0028736 k( 331) = ( 0.3333333 0.5773503 0.1787084), wk = 0.0028736 k( 332) = ( 0.3333333 0.5773503 0.1914733), wk = 0.0028736 k( 333) = ( 0.3333333 0.5773503 0.2042382), wk = 0.0028736 k( 334) = ( 0.3333333 0.5773503 0.2170031), wk = 0.0028736 k( 335) = ( 0.3333333 0.5773503 0.2297680), wk = 0.0028736 k( 336) = ( 0.3333333 0.5773503 0.2425329), wk = 0.0028736 k( 337) = ( 0.3333333 0.5773503 0.2552977), wk = 0.0028736 k( 338) = ( 0.3333333 0.5773503 0.2680626), wk = 0.0028736 k( 339) = ( 0.3333333 0.5773503 0.2808275), wk = 0.0028736 k( 340) = ( 0.3333333 0.5773503 0.2935924), wk = 0.0028736 k( 341) = ( 0.3333333 0.5773503 0.3063573), wk = 0.0028736 k( 342) = ( 0.3333333 0.5773503 0.3191222), wk = 0.0028736 k( 343) = ( 0.3333333 0.5773503 0.3318871), wk = 0.0028736 k( 344) = ( 0.3333333 0.5773503 0.3446520), wk = 0.0028736 k( 345) = ( 0.3333333 0.5773503 0.3574168), wk = 0.0028736 k( 346) = ( 0.3333333 0.5773503 0.3701817), wk = 0.0028736 k( 347) = ( 0.3333333 0.5773503 0.3829466), wk = 0.0028736 k( 348) = ( 0.3333333 0.5773503 0.3957115), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0028736 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0028736 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0028736 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0028736 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0028736 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0028736 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0028736 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0028736 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0028736 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0028736 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0028736 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0028736 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0028736 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0028736 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0028736 k( 18) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0028736 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0028736 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0028736 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0028736 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0028736 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0028736 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0028736 k( 25) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0028736 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0028736 k( 27) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0028736 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0028736 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0028736 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0028736 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028736 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0028736 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0028736 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0028736 k( 35) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0028736 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0028736 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0028736 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0028736 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0028736 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0028736 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0028736 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0028736 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0028736 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0028736 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 48) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0028736 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0028736 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0028736 k( 51) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0028736 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0028736 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0028736 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0028736 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0028736 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0028736 k( 57) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0028736 k( 58) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0028736 k( 59) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0028736 k( 60) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0028736 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0028736 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0028736 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0028736 k( 64) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0028736 k( 65) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0028736 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0028736 k( 67) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0028736 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0028736 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0028736 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0028736 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0028736 k( 72) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 75) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0028736 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0028736 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0028736 k( 79) = ( 0.3012821 0.3012821 -0.0000000), wk = 0.0028736 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0028736 k( 81) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0028736 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0028736 k( 83) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0028736 k( 84) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0028736 k( 85) = ( 0.2628205 0.2628205 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0028736 k( 87) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0028736 k( 89) = ( 0.2371795 0.2371795 0.0000000), wk = 0.0028736 k( 90) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0028736 k( 91) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0028736 k( 92) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0028736 k( 93) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0028736 k( 94) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0028736 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0028736 k( 96) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0028736 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0028736 k( 98) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0028736 k( 99) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0028736 k( 100) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028736 k( 101) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0028736 k( 102) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0028736 k( 103) = ( 0.1474359 0.1474359 0.0000000), wk = 0.0028736 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0028736 k( 105) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0028736 k( 106) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0028736 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0028736 k( 108) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0028736 k( 109) = ( 0.1089744 0.1089744 -0.0000000), wk = 0.0028736 k( 110) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0028736 k( 111) = ( 0.0961538 0.0961539 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0028736 k( 113) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0028736 k( 116) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0028736 k( 117) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0028736 k( 118) = ( 0.0512821 0.0512820 0.0000000), wk = 0.0028736 k( 119) = ( 0.0448718 0.0448718 0.0000000), wk = 0.0028736 k( 120) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0320513 0.0320513 0.0000000), wk = 0.0028736 k( 122) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0028736 k( 125) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1774193), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.2741935), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 160) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0028736 k( 161) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0028736 k( 162) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0028736 k( 163) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0028736 k( 164) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0028736 k( 166) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0028736 k( 169) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0028736 k( 170) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0028736 k( 172) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0028736 k( 173) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0028736 k( 174) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0028736 k( 175) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0028736 k( 176) = ( 0.1888889 -0.0000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0028736 k( 178) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0028736 k( 179) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0028736 k( 180) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0028736 k( 181) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0028736 k( 182) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0028736 k( 187) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0028736 k( 188) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0028736 k( 189) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028736 k( 190) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0028736 k( 191) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0028736 k( 192) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0028736 k( 193) = ( 0.3777778 -0.0000000 0.5000000), wk = 0.0028736 k( 194) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0028736 k( 195) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0028736 k( 196) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0028736 k( 197) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0028736 k( 198) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0028736 k( 199) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0028736 k( 200) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0028736 k( 201) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0028736 k( 202) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0028736 k( 203) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0028736 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 206) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0028736 k( 207) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0028736 k( 208) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0028736 k( 209) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0028736 k( 210) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0028736 k( 211) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0028736 k( 212) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0028736 k( 213) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0028736 k( 214) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0028736 k( 215) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0028736 k( 216) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0028736 k( 217) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0028736 k( 218) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028736 k( 219) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0028736 k( 220) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0028736 k( 221) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0028736 k( 222) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0028736 k( 223) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0028736 k( 224) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0028736 k( 225) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0028736 k( 226) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0028736 k( 227) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0028736 k( 228) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0028736 k( 229) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0028736 k( 230) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0028736 k( 231) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 232) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 233) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0028736 k( 234) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0028736 k( 235) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0028736 k( 236) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0028736 k( 237) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0028736 k( 238) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0028736 k( 239) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0028736 k( 240) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0028736 k( 241) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0028736 k( 242) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0028736 k( 243) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0028736 k( 244) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0028736 k( 245) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028736 k( 246) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0028736 k( 247) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0028736 k( 248) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0028736 k( 249) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0028736 k( 250) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0028736 k( 251) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0028736 k( 252) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0028736 k( 253) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0028736 k( 254) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0028736 k( 255) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0028736 k( 256) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0028736 k( 257) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0028736 k( 258) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028736 k( 259) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0028736 k( 260) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0028736 k( 261) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0028736 k( 262) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0028736 k( 263) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0028736 k( 264) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0028736 k( 265) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0028736 k( 266) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0028736 k( 267) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0028736 k( 268) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0028736 k( 269) = ( 0.0961538 0.0961539 0.5000000), wk = 0.0028736 k( 270) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0028736 k( 271) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028736 k( 272) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0028736 k( 273) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0028736 k( 274) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0028736 k( 275) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0028736 k( 276) = ( 0.0512821 0.0512820 0.5000000), wk = 0.0028736 k( 277) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0028736 k( 278) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0028736 k( 279) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0028736 k( 280) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0028736 k( 281) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0028736 k( 282) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0028736 k( 283) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0028736 k( 284) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 285) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 286) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0028736 k( 287) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0028736 k( 288) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0028736 k( 289) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0028736 k( 290) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0028736 k( 291) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0028736 k( 292) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0028736 k( 293) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0028736 k( 294) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0028736 k( 295) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0028736 k( 296) = ( 0.5000000 0.0000000 0.3225806), wk = 0.0028736 k( 297) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0028736 k( 298) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0028736 k( 299) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0028736 k( 300) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0028736 k( 301) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0028736 k( 302) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0028736 k( 303) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0028736 k( 304) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0028736 k( 313) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0028736 k( 314) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0028736 k( 315) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0028736 k( 316) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 317) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 318) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0028736 k( 319) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0028736 k( 320) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0028736 k( 321) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0028736 k( 322) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0028736 k( 323) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0028736 k( 324) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0028736 k( 325) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0028736 k( 326) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0028736 k( 327) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0028736 k( 328) = ( 0.3333333 0.3333333 0.1774193), wk = 0.0028736 k( 329) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0028736 k( 330) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0028736 k( 331) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0028736 k( 332) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0028736 k( 333) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0028736 k( 334) = ( 0.3333333 0.3333333 0.2741935), wk = 0.0028736 k( 335) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0028736 k( 336) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0028736 k( 337) = ( 0.3333333 0.3333333 0.3225806), wk = 0.0028736 k( 338) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0028736 k( 339) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0028736 k( 340) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0028736 k( 341) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0028736 k( 342) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0028736 k( 343) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0028736 k( 344) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0028736 k( 345) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0028736 k( 346) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0028736 k( 347) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0028736 k( 348) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 Dense grid: 31387 G-vectors FFT dimensions: ( 40, 40, 50) Smooth grid: 20861 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 156, 34) NL pseudopotentials 0.16 Mb ( 78, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 873) G-vector shells 0.00 Mb ( 442) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 156, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.14 Mb ( 136, 2, 34) The potential is recalculated from file : ./FeSb.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 5.9 secs Computing kpt #: 15 total cpu time spent up to now is 6.2 secs Computing kpt #: 16 total cpu time spent up to now is 6.4 secs Computing kpt #: 17 total cpu time spent up to now is 6.7 secs Computing kpt #: 18 total cpu time spent up to now is 6.9 secs Computing kpt #: 19 total cpu time spent up to now is 7.1 secs Computing kpt #: 20 total cpu time spent up to now is 7.4 secs Computing kpt #: 21 total cpu time spent up to now is 7.6 secs Computing kpt #: 22 total cpu time spent up to now is 7.9 secs Computing kpt #: 23 total cpu time spent up to now is 8.1 secs Computing kpt #: 24 total cpu time spent up to now is 8.4 secs Computing kpt #: 25 total cpu time spent up to now is 8.7 secs Computing kpt #: 26 total cpu time spent up to now is 8.9 secs Computing kpt #: 27 total cpu time spent up to now is 9.1 secs Computing kpt #: 28 total cpu time spent up to now is 9.3 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 9.8 secs Computing kpt #: 31 total cpu time spent up to now is 10.0 secs Computing kpt #: 32 total cpu time spent up to now is 10.2 secs Computing kpt #: 33 total cpu time spent up to now is 10.4 secs Computing kpt #: 34 total cpu time spent up to now is 10.6 secs Computing kpt #: 35 total cpu time spent up to now is 10.9 secs Computing kpt #: 36 total cpu time spent up to now is 11.1 secs Computing kpt #: 37 total cpu time spent up to now is 11.3 secs Computing kpt #: 38 total cpu time spent up to now is 11.5 secs Computing kpt #: 39 total cpu time spent up to now is 11.7 secs Computing kpt #: 40 total cpu time spent up to now is 11.9 secs Computing kpt #: 41 total cpu time spent up to now is 12.1 secs Computing kpt #: 42 total cpu time spent up to now is 12.3 secs Computing kpt #: 43 total cpu time spent up to now is 12.5 secs Computing kpt #: 44 total cpu time spent up to now is 12.7 secs Computing kpt #: 45 total cpu time spent up to now is 12.9 secs Computing kpt #: 46 total cpu time spent up to now is 13.1 secs Computing kpt #: 47 total cpu time spent up to now is 13.3 secs Computing kpt #: 48 total cpu time spent up to now is 13.5 secs Computing kpt #: 49 total cpu time spent up to now is 13.7 secs Computing kpt #: 50 total cpu time spent up to now is 13.9 secs Computing kpt #: 51 total cpu time spent up to now is 14.1 secs Computing kpt #: 52 total cpu time spent up to now is 14.3 secs Computing kpt #: 53 total cpu time spent up to now is 14.5 secs Computing kpt #: 54 total cpu time spent up to now is 14.7 secs Computing kpt #: 55 total cpu time spent up to now is 14.9 secs Computing kpt #: 56 total cpu time spent up to now is 15.1 secs Computing kpt #: 57 total cpu time spent up to now is 15.3 secs Computing kpt #: 58 total cpu time spent up to now is 15.5 secs Computing kpt #: 59 total cpu time spent up to now is 15.7 secs Computing kpt #: 60 total cpu time spent up to now is 15.9 secs Computing kpt #: 61 total cpu time spent up to now is 16.1 secs Computing kpt #: 62 total cpu time spent up to now is 16.4 secs Computing kpt #: 63 total cpu time spent up to now is 16.6 secs Computing kpt #: 64 total cpu time spent up to now is 16.8 secs Computing kpt #: 65 total cpu time spent up to now is 17.0 secs Computing kpt #: 66 total cpu time spent up to now is 17.2 secs Computing kpt #: 67 total cpu time spent up to now is 17.4 secs Computing kpt #: 68 total cpu time spent up to now is 17.7 secs Computing kpt #: 69 total cpu time spent up to now is 17.9 secs Computing kpt #: 70 total cpu time spent up to now is 18.1 secs Computing kpt #: 71 total cpu time spent up to now is 18.4 secs Computing kpt #: 72 total cpu time spent up to now is 18.6 secs Computing kpt #: 73 total cpu time spent up to now is 18.9 secs Computing kpt #: 74 total cpu time spent up to now is 19.1 secs Computing kpt #: 75 total cpu time spent up to now is 19.4 secs Computing kpt #: 76 total cpu time spent up to now is 19.6 secs Computing kpt #: 77 total cpu time spent up to now is 19.9 secs Computing kpt #: 78 total cpu time spent up to now is 20.1 secs Computing kpt #: 79 total cpu time spent up to now is 20.3 secs Computing kpt #: 80 total cpu time spent up to now is 20.6 secs Computing kpt #: 81 total cpu time spent up to now is 20.8 secs Computing kpt #: 82 total cpu time spent up to now is 21.1 secs Computing kpt #: 83 total cpu time spent up to now is 21.3 secs Computing kpt #: 84 total cpu time spent up to now is 21.6 secs Computing kpt #: 85 total cpu time spent up to now is 21.8 secs Computing kpt #: 86 total cpu time spent up to now is 22.0 secs Computing kpt #: 87 total cpu time spent up to now is 22.3 secs Computing kpt #: 88 total cpu time spent up to now is 22.5 secs Computing kpt #: 89 total cpu time spent up to now is 22.8 secs Computing kpt #: 90 total cpu time spent up to now is 23.0 secs Computing kpt #: 91 total cpu time spent up to now is 23.3 secs Computing kpt #: 92 total cpu time spent up to now is 23.5 secs Computing kpt #: 93 total cpu time spent up to now is 23.8 secs Computing kpt #: 94 total cpu time spent up to now is 24.1 secs Computing kpt #: 95 total cpu time spent up to now is 24.3 secs Computing kpt #: 96 total cpu time spent up to now is 24.6 secs Computing kpt #: 97 total cpu time spent up to now is 24.8 secs Computing kpt #: 98 total cpu time spent up to now is 25.1 secs Computing kpt #: 99 total cpu time spent up to now is 25.4 secs Computing kpt #: 100 total cpu time spent up to now is 25.6 secs Computing kpt #: 101 total cpu time spent up to now is 25.9 secs Computing kpt #: 102 total cpu time spent up to now is 26.1 secs Computing kpt #: 103 total cpu time spent up to now is 26.4 secs Computing kpt #: 104 total cpu time spent up to now is 26.6 secs Computing kpt #: 105 total cpu time spent up to now is 26.9 secs Computing kpt #: 106 total cpu time spent up to now is 27.1 secs Computing kpt #: 107 total cpu time spent up to now is 27.4 secs Computing kpt #: 108 total cpu time spent up to now is 27.6 secs Computing kpt #: 109 total cpu time spent up to now is 27.9 secs Computing kpt #: 110 total cpu time spent up to now is 28.1 secs Computing kpt #: 111 total cpu time spent up to now is 28.4 secs Computing kpt #: 112 total cpu time spent up to now is 28.6 secs Computing kpt #: 113 total cpu time spent up to now is 28.9 secs Computing kpt #: 114 total cpu time spent up to now is 29.1 secs Computing kpt #: 115 total cpu time spent up to now is 29.4 secs Computing kpt #: 116 total cpu time spent up to now is 29.6 secs Computing kpt #: 117 total cpu time spent up to now is 29.9 secs Computing kpt #: 118 total cpu time spent up to now is 30.1 secs Computing kpt #: 119 total cpu time spent up to now is 30.4 secs Computing kpt #: 120 total cpu time spent up to now is 30.6 secs Computing kpt #: 121 total cpu time spent up to now is 30.8 secs Computing kpt #: 122 total cpu time spent up to now is 31.1 secs Computing kpt #: 123 total cpu time spent up to now is 31.3 secs Computing kpt #: 124 total cpu time spent up to now is 31.6 secs Computing kpt #: 125 total cpu time spent up to now is 31.8 secs Computing kpt #: 126 total cpu time spent up to now is 32.1 secs Computing kpt #: 127 total cpu time spent up to now is 32.4 secs Computing kpt #: 128 total cpu time spent up to now is 32.7 secs Computing kpt #: 129 total cpu time spent up to now is 33.0 secs Computing kpt #: 130 total cpu time spent up to now is 33.4 secs Computing kpt #: 131 total cpu time spent up to now is 33.6 secs Computing kpt #: 132 total cpu time spent up to now is 33.9 secs Computing kpt #: 133 total cpu time spent up to now is 34.2 secs Computing kpt #: 134 total cpu time spent up to now is 34.5 secs Computing kpt #: 135 total cpu time spent up to now is 34.8 secs Computing kpt #: 136 total cpu time spent up to now is 35.2 secs Computing kpt #: 137 total cpu time spent up to now is 35.4 secs Computing kpt #: 138 total cpu time spent up to now is 35.7 secs Computing kpt #: 139 total cpu time spent up to now is 35.9 secs Computing kpt #: 140 total cpu time spent up to now is 36.2 secs Computing kpt #: 141 total cpu time spent up to now is 36.4 secs Computing kpt #: 142 total cpu time spent up to now is 36.6 secs Computing kpt #: 143 total cpu time spent up to now is 36.9 secs Computing kpt #: 144 total cpu time spent up to now is 37.1 secs Computing kpt #: 145 total cpu time spent up to now is 37.3 secs Computing kpt #: 146 total cpu time spent up to now is 37.6 secs Computing kpt #: 147 total cpu time spent up to now is 37.8 secs Computing kpt #: 148 total cpu time spent up to now is 38.0 secs Computing kpt #: 149 total cpu time spent up to now is 38.2 secs Computing kpt #: 150 total cpu time spent up to now is 38.6 secs Computing kpt #: 151 total cpu time spent up to now is 38.8 secs Computing kpt #: 152 total cpu time spent up to now is 39.0 secs Computing kpt #: 153 total cpu time spent up to now is 39.3 secs Computing kpt #: 154 total cpu time spent up to now is 39.5 secs Computing kpt #: 155 total cpu time spent up to now is 39.8 secs Computing kpt #: 156 total cpu time spent up to now is 40.0 secs Computing kpt #: 157 total cpu time spent up to now is 40.2 secs Computing kpt #: 158 total cpu time spent up to now is 40.5 secs Computing kpt #: 159 total cpu time spent up to now is 40.7 secs Computing kpt #: 160 total cpu time spent up to now is 40.9 secs Computing kpt #: 161 total cpu time spent up to now is 41.2 secs Computing kpt #: 162 total cpu time spent up to now is 41.4 secs Computing kpt #: 163 total cpu time spent up to now is 41.7 secs Computing kpt #: 164 total cpu time spent up to now is 41.9 secs Computing kpt #: 165 total cpu time spent up to now is 42.1 secs Computing kpt #: 166 total cpu time spent up to now is 42.4 secs Computing kpt #: 167 total cpu time spent up to now is 42.6 secs Computing kpt #: 168 total cpu time spent up to now is 42.8 secs Computing kpt #: 169 total cpu time spent up to now is 43.1 secs Computing kpt #: 170 total cpu time spent up to now is 43.3 secs Computing kpt #: 171 total cpu time spent up to now is 43.6 secs Computing kpt #: 172 total cpu time spent up to now is 43.8 secs Computing kpt #: 173 total cpu time spent up to now is 44.0 secs Computing kpt #: 174 total cpu time spent up to now is 44.3 secs Computing kpt #: 175 total cpu time spent up to now is 44.5 secs Computing kpt #: 176 total cpu time spent up to now is 44.8 secs Computing kpt #: 177 total cpu time spent up to now is 45.1 secs Computing kpt #: 178 total cpu time spent up to now is 45.5 secs Computing kpt #: 179 total cpu time spent up to now is 45.8 secs Computing kpt #: 180 total cpu time spent up to now is 46.1 secs Computing kpt #: 181 total cpu time spent up to now is 46.5 secs Computing kpt #: 182 total cpu time spent up to now is 46.7 secs Computing kpt #: 183 total cpu time spent up to now is 47.0 secs Computing kpt #: 184 total cpu time spent up to now is 47.2 secs Computing kpt #: 185 total cpu time spent up to now is 47.4 secs Computing kpt #: 186 total cpu time spent up to now is 47.6 secs Computing kpt #: 187 total cpu time spent up to now is 47.9 secs Computing kpt #: 188 total cpu time spent up to now is 48.1 secs Computing kpt #: 189 total cpu time spent up to now is 48.3 secs Computing kpt #: 190 total cpu time spent up to now is 48.6 secs Computing kpt #: 191 total cpu time spent up to now is 48.8 secs Computing kpt #: 192 total cpu time spent up to now is 49.0 secs Computing kpt #: 193 total cpu time spent up to now is 49.2 secs Computing kpt #: 194 total cpu time spent up to now is 49.5 secs Computing kpt #: 195 total cpu time spent up to now is 49.7 secs Computing kpt #: 196 total cpu time spent up to now is 49.9 secs Computing kpt #: 197 total cpu time spent up to now is 50.1 secs Computing kpt #: 198 total cpu time spent up to now is 50.3 secs Computing kpt #: 199 total cpu time spent up to now is 50.5 secs Computing kpt #: 200 total cpu time spent up to now is 50.7 secs Computing kpt #: 201 total cpu time spent up to now is 51.0 secs Computing kpt #: 202 total cpu time spent up to now is 51.2 secs Computing kpt #: 203 total cpu time spent up to now is 51.4 secs Computing kpt #: 204 total cpu time spent up to now is 51.6 secs Computing kpt #: 205 total cpu time spent up to now is 51.8 secs Computing kpt #: 206 total cpu time spent up to now is 52.1 secs Computing kpt #: 207 total cpu time spent up to now is 52.3 secs Computing kpt #: 208 total cpu time spent up to now is 52.6 secs Computing kpt #: 209 total cpu time spent up to now is 52.9 secs Computing kpt #: 210 total cpu time spent up to now is 53.1 secs Computing kpt #: 211 total cpu time spent up to now is 53.4 secs Computing kpt #: 212 total cpu time spent up to now is 53.6 secs Computing kpt #: 213 total cpu time spent up to now is 53.9 secs Computing kpt #: 214 total cpu time spent up to now is 54.1 secs Computing kpt #: 215 total cpu time spent up to now is 54.4 secs Computing kpt #: 216 total cpu time spent up to now is 54.6 secs Computing kpt #: 217 total cpu time spent up to now is 54.9 secs Computing kpt #: 218 total cpu time spent up to now is 55.1 secs Computing kpt #: 219 total cpu time spent up to now is 55.4 secs Computing kpt #: 220 total cpu time spent up to now is 55.6 secs Computing kpt #: 221 total cpu time spent up to now is 55.8 secs Computing kpt #: 222 total cpu time spent up to now is 56.1 secs Computing kpt #: 223 total cpu time spent up to now is 56.3 secs Computing kpt #: 224 total cpu time spent up to now is 56.6 secs Computing kpt #: 225 total cpu time spent up to now is 56.8 secs Computing kpt #: 226 total cpu time spent up to now is 57.1 secs Computing kpt #: 227 total cpu time spent up to now is 57.3 secs Computing kpt #: 228 total cpu time spent up to now is 57.5 secs Computing kpt #: 229 total cpu time spent up to now is 57.7 secs Computing kpt #: 230 total cpu time spent up to now is 58.0 secs Computing kpt #: 231 total cpu time spent up to now is 58.2 secs Computing kpt #: 232 total cpu time spent up to now is 58.4 secs Computing kpt #: 233 total cpu time spent up to now is 58.6 secs Computing kpt #: 234 total cpu time spent up to now is 58.8 secs Computing kpt #: 235 total cpu time spent up to now is 59.0 secs Computing kpt #: 236 total cpu time spent up to now is 59.2 secs Computing kpt #: 237 total cpu time spent up to now is 59.5 secs Computing kpt #: 238 total cpu time spent up to now is 59.7 secs Computing kpt #: 239 total cpu time spent up to now is 59.9 secs Computing kpt #: 240 total cpu time spent up to now is 60.2 secs Computing kpt #: 241 total cpu time spent up to now is 60.4 secs Computing kpt #: 242 total cpu time spent up to now is 60.7 secs Computing kpt #: 243 total cpu time spent up to now is 60.9 secs Computing kpt #: 244 total cpu time spent up to now is 61.2 secs Computing kpt #: 245 total cpu time spent up to now is 61.4 secs Computing kpt #: 246 total cpu time spent up to now is 61.6 secs Computing kpt #: 247 total cpu time spent up to now is 61.9 secs Computing kpt #: 248 total cpu time spent up to now is 62.1 secs Computing kpt #: 249 total cpu time spent up to now is 62.4 secs Computing kpt #: 250 total cpu time spent up to now is 62.6 secs Computing kpt #: 251 total cpu time spent up to now is 62.8 secs Computing kpt #: 252 total cpu time spent up to now is 63.1 secs Computing kpt #: 253 total cpu time spent up to now is 63.3 secs Computing kpt #: 254 total cpu time spent up to now is 63.6 secs Computing kpt #: 255 total cpu time spent up to now is 63.8 secs Computing kpt #: 256 total cpu time spent up to now is 64.1 secs Computing kpt #: 257 total cpu time spent up to now is 64.3 secs Computing kpt #: 258 total cpu time spent up to now is 64.6 secs Computing kpt #: 259 total cpu time spent up to now is 64.8 secs Computing kpt #: 260 total cpu time spent up to now is 65.0 secs Computing kpt #: 261 total cpu time spent up to now is 65.3 secs Computing kpt #: 262 total cpu time spent up to now is 65.5 secs Computing kpt #: 263 total cpu time spent up to now is 65.8 secs Computing kpt #: 264 total cpu time spent up to now is 66.0 secs Computing kpt #: 265 total cpu time spent up to now is 66.2 secs Computing kpt #: 266 total cpu time spent up to now is 66.5 secs Computing kpt #: 267 total cpu time spent up to now is 66.8 secs Computing kpt #: 268 total cpu time spent up to now is 67.1 secs Computing kpt #: 269 total cpu time spent up to now is 67.4 secs Computing kpt #: 270 total cpu time spent up to now is 67.7 secs Computing kpt #: 271 total cpu time spent up to now is 68.0 secs Computing kpt #: 272 total cpu time spent up to now is 68.3 secs Computing kpt #: 273 total cpu time spent up to now is 68.6 secs Computing kpt #: 274 total cpu time spent up to now is 68.9 secs Computing kpt #: 275 total cpu time spent up to now is 69.1 secs Computing kpt #: 276 total cpu time spent up to now is 69.4 secs Computing kpt #: 277 total cpu time spent up to now is 69.7 secs Computing kpt #: 278 total cpu time spent up to now is 70.1 secs Computing kpt #: 279 total cpu time spent up to now is 70.3 secs Computing kpt #: 280 total cpu time spent up to now is 70.6 secs Computing kpt #: 281 total cpu time spent up to now is 71.0 secs Computing kpt #: 282 total cpu time spent up to now is 71.3 secs Computing kpt #: 283 total cpu time spent up to now is 71.6 secs Computing kpt #: 284 total cpu time spent up to now is 71.8 secs Computing kpt #: 285 total cpu time spent up to now is 72.0 secs Computing kpt #: 286 total cpu time spent up to now is 72.3 secs Computing kpt #: 287 total cpu time spent up to now is 72.5 secs Computing kpt #: 288 total cpu time spent up to now is 72.7 secs Computing kpt #: 289 total cpu time spent up to now is 72.9 secs Computing kpt #: 290 total cpu time spent up to now is 73.2 secs Computing kpt #: 291 total cpu time spent up to now is 73.8 secs Computing kpt #: 292 total cpu time spent up to now is 74.0 secs Computing kpt #: 293 total cpu time spent up to now is 74.2 secs Computing kpt #: 294 total cpu time spent up to now is 74.4 secs Computing kpt #: 295 total cpu time spent up to now is 74.7 secs Computing kpt #: 296 total cpu time spent up to now is 74.9 secs Computing kpt #: 297 total cpu time spent up to now is 75.1 secs Computing kpt #: 298 total cpu time spent up to now is 75.4 secs Computing kpt #: 299 total cpu time spent up to now is 75.6 secs Computing kpt #: 300 total cpu time spent up to now is 75.8 secs Computing kpt #: 301 total cpu time spent up to now is 76.1 secs Computing kpt #: 302 total cpu time spent up to now is 76.3 secs Computing kpt #: 303 total cpu time spent up to now is 76.6 secs Computing kpt #: 304 total cpu time spent up to now is 76.8 secs Computing kpt #: 305 total cpu time spent up to now is 77.1 secs Computing kpt #: 306 total cpu time spent up to now is 77.3 secs Computing kpt #: 307 total cpu time spent up to now is 77.5 secs Computing kpt #: 308 total cpu time spent up to now is 77.7 secs Computing kpt #: 309 total cpu time spent up to now is 77.9 secs Computing kpt #: 310 total cpu time spent up to now is 78.1 secs Computing kpt #: 311 total cpu time spent up to now is 78.3 secs Computing kpt #: 312 total cpu time spent up to now is 78.5 secs Computing kpt #: 313 total cpu time spent up to now is 78.7 secs Computing kpt #: 314 total cpu time spent up to now is 78.9 secs Computing kpt #: 315 total cpu time spent up to now is 79.1 secs Computing kpt #: 316 total cpu time spent up to now is 79.3 secs Computing kpt #: 317 total cpu time spent up to now is 79.6 secs Computing kpt #: 318 total cpu time spent up to now is 79.8 secs Computing kpt #: 319 total cpu time spent up to now is 80.1 secs Computing kpt #: 320 total cpu time spent up to now is 80.3 secs Computing kpt #: 321 total cpu time spent up to now is 80.6 secs Computing kpt #: 322 total cpu time spent up to now is 80.8 secs Computing kpt #: 323 total cpu time spent up to now is 81.1 secs Computing kpt #: 324 total cpu time spent up to now is 81.3 secs Computing kpt #: 325 total cpu time spent up to now is 81.6 secs Computing kpt #: 326 total cpu time spent up to now is 81.8 secs Computing kpt #: 327 total cpu time spent up to now is 82.0 secs Computing kpt #: 328 total cpu time spent up to now is 82.3 secs Computing kpt #: 329 total cpu time spent up to now is 82.5 secs Computing kpt #: 330 total cpu time spent up to now is 82.7 secs Computing kpt #: 331 total cpu time spent up to now is 83.0 secs Computing kpt #: 332 total cpu time spent up to now is 83.2 secs Computing kpt #: 333 total cpu time spent up to now is 83.4 secs Computing kpt #: 334 total cpu time spent up to now is 83.7 secs Computing kpt #: 335 total cpu time spent up to now is 83.9 secs Computing kpt #: 336 total cpu time spent up to now is 84.1 secs Computing kpt #: 337 total cpu time spent up to now is 84.3 secs Computing kpt #: 338 total cpu time spent up to now is 84.6 secs Computing kpt #: 339 total cpu time spent up to now is 84.8 secs Computing kpt #: 340 total cpu time spent up to now is 85.0 secs Computing kpt #: 341 total cpu time spent up to now is 85.3 secs Computing kpt #: 342 total cpu time spent up to now is 85.5 secs Computing kpt #: 343 total cpu time spent up to now is 85.7 secs Computing kpt #: 344 total cpu time spent up to now is 86.0 secs Computing kpt #: 345 total cpu time spent up to now is 86.2 secs Computing kpt #: 346 total cpu time spent up to now is 86.4 secs Computing kpt #: 347 total cpu time spent up to now is 86.7 secs Computing kpt #: 348 total cpu time spent up to now is 86.9 secs ethr = 3.85E-08, avg # of iterations = 17.6 total cpu time spent up to now is 86.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2667 PWs) bands (ev): -2.4131 -2.4131 1.8727 1.8727 4.3506 4.3506 6.3878 6.3878 6.5763 6.5763 7.4125 7.4125 8.1561 8.1561 8.1617 8.1617 8.9053 8.9053 8.9996 8.9996 9.8213 9.8213 9.8803 9.8803 10.2266 10.2266 10.7524 10.7524 11.2735 11.2735 12.9015 12.9015 12.9789 12.9789 k = 0.0111 0.0064-0.0000 ( 2667 PWs) bands (ev): -2.4117 -2.4117 1.8723 1.8723 4.3523 4.3523 6.3878 6.3878 6.5764 6.5764 7.4118 7.4118 8.1546 8.1546 8.1600 8.1600 8.9047 8.9047 8.9991 8.9991 9.8212 9.8212 9.8802 9.8802 10.2218 10.2218 10.7448 10.7448 11.2728 11.2728 12.8462 12.8462 13.0204 13.0204 k = 0.0222 0.0128-0.0000 ( 2667 PWs) bands (ev): -2.4074 -2.4074 1.8711 1.8711 4.3571 4.3571 6.3879 6.3879 6.5766 6.5766 7.4098 7.4098 8.1496 8.1496 8.1554 8.1554 8.9028 8.9028 8.9975 8.9975 9.8210 9.8210 9.8799 9.8799 10.2074 10.2074 10.7228 10.7228 11.2707 11.2707 12.7634 12.7634 13.0626 13.0626 k = 0.0333 0.0192-0.0000 ( 2667 PWs) bands (ev): -2.4003 -2.4003 1.8690 1.8690 4.3653 4.3653 6.3880 6.3880 6.5770 6.5770 7.4063 7.4063 8.1402 8.1402 8.1489 8.1489 8.8992 8.8992 8.9952 8.9952 9.8206 9.8206 9.8793 9.8793 10.1832 10.1832 10.6881 10.6881 11.2672 11.2672 12.6814 12.6814 13.0904 13.0904 k = 0.0444 0.0257-0.0000 ( 2655 PWs) bands (ev): -2.3904 -2.3904 1.8662 1.8662 4.3766 4.3766 6.3881 6.3881 6.5776 6.5776 7.4014 7.4014 8.1265 8.1265 8.1408 8.1408 8.8936 8.8936 8.9928 8.9928 9.8201 9.8201 9.8786 9.8786 10.1491 10.1491 10.6431 10.6431 11.2622 11.2622 12.6040 12.6040 13.1136 13.1136 k = 0.0556 0.0321-0.0000 ( 2643 PWs) bands (ev): -2.3777 -2.3777 1.8625 1.8625 4.3912 4.3912 6.3881 6.3881 6.5783 6.5783 7.3948 7.3948 8.1085 8.1085 8.1308 8.1308 8.8852 8.8852 8.9910 8.9910 9.8193 9.8193 9.8775 9.8775 10.1053 10.1053 10.5909 10.5909 11.2558 11.2558 12.5316 12.5316 13.1369 13.1369 k = 0.0667 0.0385-0.0000 ( 2641 PWs) bands (ev): -2.3621 -2.3621 1.8579 1.8579 4.4091 4.4091 6.3878 6.3878 6.5791 6.5791 7.3863 7.3863 8.0865 8.0865 8.1188 8.1188 8.8737 8.8737 8.9902 8.9902 9.8182 9.8182 9.8760 9.8760 10.0523 10.0523 10.5342 10.5342 11.2477 11.2477 12.4638 12.4638 13.1614 13.1614 k = 0.0778 0.0449-0.0000 ( 2633 PWs) bands (ev): -2.3438 -2.3438 1.8524 1.8524 4.4301 4.4301 6.3872 6.3872 6.5800 6.5800 7.3756 7.3756 8.0608 8.0608 8.1050 8.1050 8.8586 8.8586 8.9909 8.9909 9.8163 9.8163 9.8734 9.8734 9.9921 9.9921 10.4755 10.4755 11.2381 11.2381 12.4000 12.4000 13.1874 13.1874 k = 0.0889 0.0513-0.0000 ( 2629 PWs) bands (ev): -2.3226 -2.3226 1.8459 1.8459 4.4543 4.4543 6.3861 6.3861 6.5810 6.5810 7.3624 7.3624 8.0317 8.0317 8.0893 8.0893 8.8404 8.8404 8.9930 8.9930 9.8123 9.8123 9.8668 9.8668 9.9304 9.9304 10.4164 10.4164 11.2267 11.2267 12.3392 12.3392 13.2142 13.2142 k = 0.1000 0.0577-0.0000 ( 2629 PWs) bands (ev): -2.2987 -2.2987 1.8384 1.8384 4.4817 4.4817 6.3840 6.3840 6.5821 6.5821 7.3464 7.3464 7.9998 7.9998 8.0717 8.0717 8.8191 8.8191 8.9965 8.9965 9.7969 9.7969 9.8438 9.8438 9.8909 9.8909 10.3576 10.3576 11.2136 11.2136 12.2806 12.2806 13.2408 13.2408 k = 0.1111 0.0642-0.0000 ( 2633 PWs) bands (ev): -2.2720 -2.2720 1.8299 1.8299 4.5122 4.5122 6.3807 6.3807 6.5832 6.5832 7.3272 7.3272 7.9656 7.9656 8.0526 8.0526 8.7949 8.7949 9.0011 9.0011 9.7428 9.7428 9.8264 9.8264 9.8812 9.8812 10.2996 10.2996 11.1987 11.1987 12.2234 12.2234 13.2658 13.2658 k = 0.1222 0.0706-0.0000 ( 2623 PWs) bands (ev): -2.2425 -2.2425 1.8202 1.8202 4.5459 4.5459 6.3757 6.3757 6.5844 6.5844 7.3044 7.3044 7.9301 7.9301 8.0319 8.0319 8.7683 8.7683 9.0070 9.0070 9.6690 9.6690 9.8216 9.8216 9.8778 9.8778 10.2422 10.2422 11.1818 11.1818 12.1671 12.1671 13.2874 13.2874 k = 0.1333 0.0770-0.0000 ( 2623 PWs) bands (ev): -2.2103 -2.2103 1.8094 1.8094 4.5827 4.5827 6.3682 6.3682 6.5858 6.5858 7.2778 7.2778 7.8942 7.8942 8.0099 8.0099 8.7395 8.7395 9.0138 9.0138 9.5924 9.5924 9.8189 9.8189 9.8754 9.8754 10.1854 10.1854 11.1629 11.1629 12.1110 12.1110 13.3027 13.3027 k = 0.1444 0.0834-0.0000 ( 2625 PWs) bands (ev): -2.1754 -2.1754 1.7973 1.7973 4.6225 4.6225 6.3575 6.3575 6.5873 6.5873 7.2474 7.2474 7.8590 7.8590 7.9865 7.9865 8.7088 8.7088 9.0214 9.0214 9.5172 9.5172 9.8170 9.8170 9.8734 9.8734 10.1290 10.1290 11.1417 11.1417 12.0548 12.0548 13.3090 13.3090 k = 0.1556 0.0898-0.0000 ( 2619 PWs) bands (ev): -2.1379 -2.1379 1.7839 1.7839 4.6653 4.6653 6.3424 6.3424 6.5891 6.5891 7.2136 7.2136 7.8255 7.8255 7.9621 7.9621 8.6767 8.6767 9.0299 9.0299 9.4450 9.4450 9.8152 9.8152 9.8714 9.8714 10.0730 10.0730 11.1182 11.1182 11.9981 11.9981 13.3039 13.3039 k = 0.1667 0.0962-0.0000 ( 2623 PWs) bands (ev): -2.0976 -2.0976 1.7691 1.7691 4.7111 4.7111 6.3216 6.3216 6.5913 6.5913 7.1776 7.1776 7.7943 7.7943 7.9367 7.9367 8.6430 8.6430 9.0388 9.0388 9.3769 9.3769 9.8135 9.8135 9.8689 9.8689 10.0178 10.0178 11.0921 11.0921 11.9407 11.9407 13.2865 13.2865 k = 0.1778 0.1026-0.0000 ( 2622 PWs) bands (ev): -2.0548 -2.0548 1.7527 1.7527 4.7598 4.7598 6.2937 6.2937 6.5940 6.5940 7.1408 7.1408 7.7659 7.7659 7.9105 7.9105 8.6081 8.6081 9.0486 9.0486 9.3134 9.3134 9.8117 9.8117 9.8651 9.8651 9.9642 9.9642 11.0632 11.0632 11.8824 11.8824 13.2576 13.2576 k = 0.1889 0.1091-0.0000 ( 2612 PWs) bands (ev): -2.0093 -2.0093 1.7347 1.7347 4.8114 4.8114 6.2574 6.2574 6.5976 6.5976 7.1052 7.1052 7.7406 7.7406 7.8837 7.8837 8.5722 8.5722 9.0588 9.0588 9.2546 9.2546 9.8098 9.8098 9.8563 9.8563 9.9163 9.9163 11.0313 11.0313 11.8232 11.8232 13.2190 13.2190 k = 0.2000 0.1155-0.0000 ( 2608 PWs) bands (ev): -1.9613 -1.9613 1.7150 1.7150 4.8658 4.8658 6.2117 6.2117 6.6021 6.6021 7.0725 7.0725 7.7180 7.7180 7.8565 7.8565 8.5355 8.5355 9.0694 9.0694 9.2006 9.2006 9.8072 9.8072 9.8296 9.8296 9.8873 9.8873 10.9961 10.9961 11.7629 11.7629 13.1728 13.1728 k = 0.2111 0.1219-0.0000 ( 2604 PWs) bands (ev): -1.9108 -1.9108 1.6935 1.6935 4.9228 4.9228 6.1561 6.1561 6.6076 6.6076 7.0444 7.0444 7.6980 7.6980 7.8290 7.8290 8.4980 8.4980 9.0803 9.0803 9.1511 9.1511 9.7802 9.7802 9.8081 9.8081 9.8779 9.8779 10.9574 10.9574 11.7016 11.7016 13.1206 13.1206 k = 0.2222 0.1283-0.0000 ( 2598 PWs) bands (ev): -1.8578 -1.8578 1.6700 1.6700 4.9825 4.9825 6.0911 6.0911 6.6143 6.6143 7.0217 7.0217 7.6800 7.6800 7.8014 7.8014 8.4600 8.4600 9.0909 9.0909 9.1066 9.1066 9.7292 9.7292 9.8055 9.8055 9.8743 9.8743 10.9149 10.9149 11.6395 11.6395 13.0641 13.0641 k = 0.2333 0.1347-0.0000 ( 2598 PWs) bands (ev): -1.8024 -1.8024 1.6445 1.6445 5.0445 5.0445 6.0176 6.0176 6.6221 6.6221 7.0048 7.0048 7.6635 7.6635 7.7741 7.7741 8.4215 8.4215 9.0638 9.0638 9.1038 9.1038 9.6767 9.6767 9.8034 9.8034 9.8723 9.8723 10.8685 10.8685 11.5766 11.5766 13.0047 13.0047 k = 0.2444 0.1411-0.0000 ( 2594 PWs) bands (ev): -1.7446 -1.7446 1.6167 1.6167 5.1086 5.1086 5.9374 5.9374 6.6310 6.6310 6.9933 6.9933 7.6478 7.6478 7.7475 7.7475 8.3825 8.3825 9.0261 9.0261 9.1156 9.1156 9.6244 9.6244 9.8015 9.8015 9.8709 9.8709 10.8180 10.8180 11.5131 11.5131 12.9437 12.9437 k = 0.2556 0.1475-0.0000 ( 2598 PWs) bands (ev): -1.6845 -1.6845 1.5867 1.5867 5.1743 5.1743 5.8525 5.8525 6.6409 6.6409 6.9870 6.9870 7.6322 7.6322 7.7220 7.7220 8.3432 8.3432 8.9914 8.9914 9.1275 9.1275 9.5727 9.5727 9.7995 9.7995 9.8699 9.8699 10.7632 10.7632 11.4492 11.4492 12.8822 12.8822 k = 0.2667 0.1540-0.0000 ( 2606 PWs) bands (ev): -1.6222 -1.6222 1.5543 1.5543 5.2408 5.2408 5.7654 5.7654 6.6519 6.6519 6.9850 6.9850 7.6158 7.6158 7.6984 7.6984 8.3034 8.3034 8.9596 8.9596 9.1394 9.1394 9.5220 9.5220 9.7976 9.7976 9.8690 9.8690 10.7042 10.7042 11.3852 11.3852 12.8213 12.8213 k = 0.2778 0.1604-0.0000 ( 2606 PWs) bands (ev): -1.5577 -1.5577 1.5193 1.5193 5.3055 5.3055 5.6800 5.6800 6.6640 6.6640 6.9867 6.9867 7.5977 7.5977 7.6774 7.6774 8.2633 8.2633 8.9303 8.9303 9.1515 9.1515 9.4725 9.4725 9.7957 9.7957 9.8683 9.8683 10.6410 10.6410 11.3213 11.3213 12.7618 12.7618 k = 0.2889 0.1668-0.0000 ( 2600 PWs) bands (ev): -1.4912 -1.4912 1.4817 1.4817 5.3603 5.3603 5.6059 5.6059 6.6770 6.6770 6.9916 6.9916 7.5776 7.5776 7.6594 7.6594 8.2230 8.2230 8.9034 8.9034 9.1634 9.1634 9.4244 9.4244 9.7940 9.7940 9.8679 9.8679 10.5739 10.5739 11.2580 11.2580 12.7045 12.7045 k = 0.3000 0.1732-0.0000 ( 2600 PWs) bands (ev): -1.4226 -1.4226 1.4414 1.4414 5.3764 5.3764 5.5730 5.5730 6.6909 6.6909 6.9991 6.9991 7.5554 7.5554 7.6442 7.6442 8.1824 8.1824 8.8784 8.8784 9.1752 9.1752 9.3777 9.3777 9.7921 9.7921 9.8675 9.8675 10.5030 10.5030 11.1953 11.1953 12.6500 12.6500 k = 0.3111 0.1796-0.0000 ( 2598 PWs) bands (ev): -1.3522 -1.3522 1.3983 1.3983 5.3295 5.3295 5.6064 5.6064 6.7057 6.7057 7.0088 7.0088 7.5317 7.5317 7.6313 7.6313 8.1415 8.1415 8.8552 8.8552 9.1867 9.1867 9.3327 9.3327 9.7903 9.7903 9.8671 9.8671 10.4290 10.4290 11.1338 11.1338 12.5987 12.5987 k = 0.3222 0.1860-0.0000 ( 2590 PWs) bands (ev): -1.2800 -1.2800 1.3523 1.3523 5.2545 5.2545 5.6721 5.6721 6.7212 6.7212 7.0203 7.0203 7.5071 7.5071 7.6200 7.6200 8.1001 8.1001 8.8337 8.8337 9.1979 9.1979 9.2896 9.2896 9.7885 9.7885 9.8669 9.8669 10.3523 10.3523 11.0738 11.0738 12.5509 12.5509 k = 0.3333 0.1925-0.0000 ( 2582 PWs) bands (ev): -1.2063 -1.2063 1.3035 1.3035 5.1736 5.1736 5.7483 5.7483 6.7375 6.7375 7.0331 7.0331 7.4824 7.4824 7.6096 7.6096 8.0581 8.0581 8.8136 8.8136 9.2080 9.2080 9.2490 9.2490 9.7868 9.7868 9.8668 9.8668 10.2735 10.2735 11.0156 11.0156 12.5068 12.5068 k = 0.3444 0.1989-0.0000 ( 2584 PWs) bands (ev): -1.1310 -1.1310 1.2519 1.2519 5.0932 5.0932 5.8294 5.8294 6.7545 6.7545 7.0469 7.0469 7.4579 7.4579 7.5997 7.5997 8.0155 8.0155 8.7948 8.7948 9.2040 9.2040 9.2242 9.2242 9.7849 9.7849 9.8666 9.8666 10.1936 10.1936 10.9594 10.9594 12.4664 12.4664 k = 0.3556 0.2053-0.0000 ( 2592 PWs) bands (ev): -1.0545 -1.0545 1.1975 1.1975 5.0156 5.0156 5.9131 5.9131 6.7721 6.7721 7.0612 7.0612 7.4342 7.4342 7.5899 7.5899 7.9719 7.9719 8.7772 8.7772 9.1693 9.1693 9.2315 9.2315 9.7829 9.7829 9.8665 9.8665 10.1134 10.1134 10.9056 10.9056 12.4297 12.4297 k = 0.3667 0.2117-0.0000 ( 2592 PWs) bands (ev): -0.9769 -0.9769 1.1405 1.1405 4.9419 4.9419 5.9987 5.9987 6.7904 6.7904 7.0755 7.0755 7.4117 7.4117 7.5802 7.5802 7.9274 7.9274 8.7607 8.7607 9.1345 9.1345 9.2408 9.2408 9.7808 9.7808 9.8664 9.8664 10.0340 10.0340 10.8547 10.8547 12.3966 12.3966 k = 0.3778 0.2181-0.0000 ( 2596 PWs) bands (ev): -0.8985 -0.8985 1.0810 1.0810 4.8728 4.8728 6.0855 6.0855 6.8091 6.8091 7.0893 7.0893 7.3910 7.3910 7.5702 7.5702 7.8816 7.8816 8.7453 8.7453 9.1017 9.1017 9.2497 9.2497 9.7779 9.7779 9.8663 9.8663 9.9567 9.9567 10.8067 10.8067 12.3670 12.3670 k = 0.3889 0.2245-0.0000 ( 2602 PWs) bands (ev): -0.8196 -0.8196 1.0193 1.0193 4.8089 4.8089 6.1729 6.1729 6.8284 6.8284 7.1017 7.1017 7.3728 7.3728 7.5599 7.5599 7.8345 7.8345 8.7309 8.7309 9.0713 9.0713 9.2581 9.2581 9.7733 9.7733 9.8661 9.8661 9.8840 9.8840 10.7620 10.7620 12.3408 12.3408 k = 0.4000 0.2309-0.0000 ( 2602 PWs) bands (ev): -0.7407 -0.7407 0.9559 0.9559 4.7504 4.7504 6.2605 6.2605 6.8479 6.8479 7.1118 7.1118 7.3580 7.3580 7.5491 7.5491 7.7859 7.7859 8.7177 8.7177 9.0435 9.0435 9.2657 9.2657 9.7609 9.7609 9.8223 9.8223 9.8665 9.8665 10.7209 10.7209 12.3176 12.3176 k = 0.4111 0.2374-0.0000 ( 2606 PWs) bands (ev): -0.6621 -0.6621 0.8910 0.8910 4.6977 4.6977 6.3476 6.3476 6.8678 6.8678 7.1186 7.1186 7.3475 7.3475 7.5377 7.5377 7.7356 7.7356 8.7055 8.7055 9.0182 9.0182 9.2726 9.2726 9.7208 9.7208 9.7931 9.7931 9.8664 9.8664 10.6836 10.6836 12.2974 12.2974 k = 0.4222 0.2438-0.0000 ( 2610 PWs) bands (ev): -0.5847 -0.5847 0.8256 0.8256 4.6509 4.6509 6.4336 6.4336 6.8876 6.8876 7.1214 7.1214 7.3422 7.3422 7.5257 7.5257 7.6836 7.6836 8.6945 8.6945 8.9956 8.9956 9.2786 9.2786 9.6649 9.6649 9.7854 9.7854 9.8665 9.8665 10.6502 10.6502 12.2801 12.2801 k = 0.4333 0.2502-0.0000 ( 2606 PWs) bands (ev): -0.5093 -0.5093 0.7605 0.7605 4.6102 4.6102 6.5176 6.5176 6.9069 6.9069 7.1203 7.1203 7.3424 7.3424 7.5129 7.5129 7.6304 7.6304 8.6847 8.6847 8.9759 8.9759 9.2838 9.2838 9.6110 9.6110 9.7824 9.7824 9.8665 9.8665 10.6210 10.6210 12.2653 12.2653 k = 0.4444 0.2566-0.0000 ( 2610 PWs) bands (ev): -0.4371 -0.4371 0.6970 0.6970 4.5756 4.5756 6.5985 6.5985 6.9247 6.9247 7.1163 7.1163 7.3474 7.3474 7.4992 7.4992 7.5765 7.5765 8.6763 8.6763 8.9590 8.9590 9.2878 9.2878 9.5633 9.5633 9.7806 9.7806 9.8666 9.8666 10.5960 10.5960 12.2531 12.2531 k = 0.4556 0.2630-0.0000 ( 2610 PWs) bands (ev): -0.3702 -0.3702 0.6370 0.6370 4.5473 4.5473 6.6747 6.6747 6.9393 6.9393 7.1121 7.1121 7.3562 7.3562 7.4835 7.4835 7.5242 7.5242 8.6692 8.6692 8.9452 8.9452 9.2910 9.2910 9.5232 9.5232 9.7794 9.7794 9.8666 9.8666 10.5754 10.5754 12.2433 12.2433 k = 0.4667 0.2694-0.0000 ( 2610 PWs) bands (ev): -0.3110 -0.3110 0.5832 0.5832 4.5252 4.5252 6.7447 6.7447 6.9471 6.9471 7.1114 7.1114 7.3670 7.3670 7.4582 7.4582 7.4835 7.4835 8.6635 8.6635 8.9343 8.9343 9.2931 9.2931 9.4915 9.4915 9.7787 9.7787 9.8666 9.8666 10.5593 10.5593 12.2357 12.2357 k = 0.4778 0.2758-0.0000 ( 2606 PWs) bands (ev): -0.2634 -0.2634 0.5394 0.5394 4.5094 4.5094 6.8061 6.8061 6.9445 6.9445 7.1169 7.1169 7.3772 7.3772 7.4193 7.4193 7.4641 7.4641 8.6595 8.6595 8.9266 8.9266 9.2944 9.2944 9.4688 9.4688 9.7782 9.7782 9.8667 9.8667 10.5478 10.5478 12.2304 12.2304 k = 0.4889 0.2823-0.0000 ( 2606 PWs) bands (ev): -0.2320 -0.2320 0.5102 0.5102 4.5000 4.5000 6.8567 6.8567 6.9298 6.9298 7.1264 7.1264 7.3733 7.3733 7.4002 7.4002 7.4515 7.4515 8.6571 8.6571 8.9218 8.9218 9.2950 9.2950 9.4551 9.4551 9.7779 9.7779 9.8667 9.8667 10.5409 10.5409 12.2272 12.2272 k = 0.5000 0.2887-0.0000 ( 2602 PWs) bands (ev): -0.2209 -0.2209 0.4999 0.4999 4.4968 4.4968 6.8870 6.8870 6.9115 6.9115 7.1314 7.1314 7.3635 7.3635 7.4017 7.4017 7.4462 7.4462 8.6563 8.6563 8.9202 8.9202 9.2953 9.2953 9.4506 9.4506 9.7778 9.7778 9.8667 9.8667 10.5386 10.5386 12.2261 12.2261 k = 0.5000 0.2887-0.0000 ( 2602 PWs) bands (ev): -0.2209 -0.2209 0.4999 0.4999 4.4968 4.4968 6.8870 6.8870 6.9115 6.9115 7.1314 7.1314 7.3635 7.3635 7.4017 7.4017 7.4462 7.4462 8.6563 8.6563 8.9202 8.9202 9.2953 9.2953 9.4506 9.4506 9.7778 9.7778 9.8667 9.8667 10.5386 10.5386 12.2261 12.2261 k = 0.4936 0.2998-0.0000 ( 2606 PWs) bands (ev): -0.2199 -0.2199 0.5004 0.5004 4.4959 4.4959 6.8650 6.8650 6.9231 6.9231 7.1312 7.1312 7.3260 7.3260 7.4099 7.4099 7.4822 7.4822 8.6596 8.6596 8.9205 8.9205 9.2967 9.2967 9.4504 9.4504 9.7778 9.7778 9.8667 9.8667 10.5410 10.5410 12.2219 12.2219 k = 0.4872 0.3109-0.0000 ( 2602 PWs) bands (ev): -0.2170 -0.2170 0.5021 0.5021 4.4931 4.4931 6.8265 6.8265 6.9296 6.9296 7.1309 7.1309 7.2709 7.2709 7.4284 7.4284 7.5403 7.5403 8.6695 8.6695 8.9213 8.9213 9.3011 9.3011 9.4498 9.4498 9.7780 9.7780 9.8665 9.8665 10.5482 10.5482 12.2093 12.2093 k = 0.4808 0.3220-0.0000 ( 2606 PWs) bands (ev): -0.2121 -0.2121 0.5048 0.5048 4.4883 4.4883 6.7800 6.7800 6.9196 6.9196 7.1304 7.1304 7.2249 7.2249 7.4566 7.4566 7.5973 7.5973 8.6852 8.6852 8.9225 8.9225 9.3084 9.3084 9.4488 9.4488 9.7782 9.7782 9.8662 9.8662 10.5602 10.5602 12.1882 12.1882 k = 0.4744 0.3331-0.0000 ( 2602 PWs) bands (ev): -0.2054 -0.2054 0.5085 0.5085 4.4815 4.4815 6.7269 6.7269 6.8900 6.8900 7.1305 7.1305 7.1954 7.1954 7.4930 7.4930 7.6498 7.6498 8.7060 8.7060 8.9243 8.9243 9.3187 9.3187 9.4475 9.4475 9.7786 9.7786 9.8658 9.8658 10.5769 10.5769 12.1586 12.1586 k = 0.4679 0.3442-0.0000 ( 2602 PWs) bands (ev): -0.1967 -0.1967 0.5130 0.5130 4.4723 4.4723 6.6676 6.6676 6.8444 6.8444 7.1325 7.1325 7.1814 7.1814 7.5356 7.5356 7.6967 7.6967 8.7306 8.7306 8.9268 8.9268 9.3315 9.3315 9.4460 9.4460 9.7791 9.7791 9.8652 9.8652 10.5978 10.5978 12.1206 12.1206 k = 0.4615 0.3553-0.0000 ( 2602 PWs) bands (ev): -0.1861 -0.1861 0.5184 0.5184 4.4607 4.4607 6.6026 6.6026 6.7903 6.7903 7.1370 7.1370 7.1774 7.1774 7.5824 7.5824 7.7380 7.7380 8.7576 8.7576 8.9302 8.9302 9.3467 9.3467 9.4446 9.4446 9.7796 9.7796 9.8646 9.8646 10.6229 10.6229 12.0740 12.0740 k = 0.4551 0.3664-0.0000 ( 2602 PWs) bands (ev): -0.1736 -0.1736 0.5245 0.5245 4.4463 4.4463 6.5331 6.5331 6.7341 6.7341 7.1434 7.1434 7.1795 7.1795 7.6319 7.6319 7.7746 7.7746 8.7854 8.7854 8.9348 8.9348 9.3635 9.3635 9.4441 9.4441 9.7802 9.7802 9.8639 9.8639 10.6518 10.6518 12.0189 12.0189 k = 0.4487 0.3775-0.0000 ( 2608 PWs) bands (ev): -0.1592 -0.1592 0.5311 0.5311 4.4289 4.4289 6.4607 6.4607 6.6789 6.6789 7.1506 7.1506 7.1860 7.1860 7.6825 7.6825 7.8074 7.8074 8.8124 8.8124 8.9409 8.9409 9.3803 9.3803 9.4459 9.4459 9.7810 9.7810 9.8630 9.8630 10.6839 10.6839 11.9557 11.9557 k = 0.4423 0.3886-0.0000 ( 2604 PWs) bands (ev): -0.1430 -0.1430 0.5380 0.5380 4.4081 4.4081 6.3878 6.3878 6.6262 6.6262 7.1578 7.1578 7.1964 7.1964 7.7319 7.7319 7.8385 7.8385 8.8369 8.8369 8.9490 8.9490 9.3935 9.3935 9.4537 9.4537 9.7818 9.7818 9.8621 9.8621 10.7188 10.7188 11.8848 11.8848 k = 0.4359 0.3997-0.0000 ( 2606 PWs) bands (ev): -0.1249 -0.1249 0.5451 0.5451 4.3839 4.3839 6.3165 6.3165 6.5760 6.5760 7.1649 7.1649 7.2097 7.2097 7.7771 7.7771 7.8711 7.8711 8.8576 8.8576 8.9595 8.9595 9.3996 9.3996 9.4709 9.4709 9.7826 9.7826 9.8611 9.8611 10.7559 10.7559 11.8065 11.8065 k = 0.4295 0.4108-0.0000 ( 2598 PWs) bands (ev): -0.1050 -0.1050 0.5519 0.5519 4.3561 4.3561 6.2488 6.2488 6.5282 6.5282 7.1720 7.1720 7.2253 7.2253 7.8139 7.8139 7.9092 7.9092 8.8739 8.8739 8.9722 8.9722 9.3996 9.3996 9.4966 9.4966 9.7836 9.7836 9.8601 9.8601 10.7945 10.7945 11.7217 11.7217 k = 0.4231 0.4219-0.0000 ( 2602 PWs) bands (ev): -0.0833 -0.0833 0.5583 0.5583 4.3248 4.3248 6.1859 6.1859 6.4826 6.4826 7.1794 7.1794 7.2425 7.2425 7.8409 7.8409 7.9544 7.9544 8.8864 8.8864 8.9865 8.9865 9.3961 9.3961 9.5278 9.5278 9.7846 9.7846 9.8589 9.8589 10.8341 10.8341 11.6309 11.6309 k = 0.4167 0.4330-0.0000 ( 2602 PWs) bands (ev): -0.0598 -0.0598 0.5640 0.5640 4.2900 4.2900 6.1292 6.1292 6.4390 6.4390 7.1873 7.1873 7.2608 7.2608 7.8603 7.8603 8.0044 8.0044 8.8958 8.8958 9.0011 9.0011 9.3909 9.3909 9.5631 9.5631 9.7857 9.7857 9.8577 9.8577 10.8742 10.8742 11.5353 11.5353 k = 0.4103 0.4441-0.0000 ( 2610 PWs) bands (ev): -0.0346 -0.0346 0.5686 0.5686 4.2522 4.2522 6.0791 6.0791 6.3975 6.3975 7.1959 7.1959 7.2796 7.2796 7.8750 7.8750 8.0564 8.0564 8.9031 8.9031 9.0148 9.0148 9.3844 9.3844 9.6015 9.6015 9.7869 9.7869 9.8564 9.8564 10.9140 10.9140 11.4359 11.4359 k = 0.4038 0.4552-0.0000 ( 2606 PWs) bands (ev): -0.0078 -0.0078 0.5716 0.5716 4.2119 4.2119 6.0361 6.0361 6.3582 6.3582 7.2052 7.2052 7.2988 7.2988 7.8865 7.8865 8.1086 8.1086 8.9091 8.9091 9.0270 9.0270 9.3772 9.3772 9.6430 9.6430 9.7882 9.7882 9.8550 9.8550 10.9529 10.9529 11.3341 11.3341 k = 0.3974 0.4663-0.0000 ( 2606 PWs) bands (ev): 0.0208 0.0208 0.5728 0.5728 4.1699 4.1699 6.0002 6.0002 6.3207 6.3207 7.2153 7.2153 7.3176 7.3176 7.8959 7.8959 8.1598 8.1598 8.9142 8.9142 9.0373 9.0373 9.3694 9.3694 9.6868 9.6868 9.7900 9.7900 9.8538 9.8538 10.9897 10.9897 11.2318 11.2318 k = 0.3910 0.4774-0.0000 ( 2608 PWs) bands (ev): 0.0509 0.0509 0.5716 0.5716 4.1271 4.1271 5.9713 5.9713 6.2854 6.2854 7.2262 7.2262 7.3358 7.3358 7.9034 7.9034 8.2092 8.2092 8.9188 8.9188 9.0455 9.0455 9.3610 9.3610 9.7318 9.7318 9.7933 9.7933 9.8526 9.8526 11.0187 11.0187 11.1355 11.1355 k = 0.3846 0.4885-0.0000 ( 2604 PWs) bands (ev): 0.0826 0.0826 0.5676 0.5676 4.0847 4.0847 5.9489 5.9489 6.2522 6.2522 7.2379 7.2379 7.3528 7.3528 7.9098 7.9098 8.2561 8.2561 8.9229 8.9229 9.0517 9.0517 9.3524 9.3524 9.7703 9.7703 9.8056 9.8056 9.8515 9.8515 10.9925 10.9925 11.0936 11.0936 k = 0.3782 0.4996-0.0000 ( 2606 PWs) bands (ev): 0.1158 0.1158 0.5603 0.5603 4.0436 4.0436 5.9326 5.9326 6.2214 6.2214 7.2506 7.2506 7.3679 7.3679 7.9151 7.9151 8.2998 8.2998 8.9266 8.9266 9.0559 9.0559 9.3436 9.3436 9.7837 9.7837 9.8439 9.8439 9.8521 9.8521 10.9007 10.9007 11.1170 11.1170 k = 0.3718 0.5107-0.0000 ( 2598 PWs) bands (ev): 0.1505 0.1505 0.5494 0.5494 4.0051 4.0051 5.9215 5.9215 6.1932 6.1932 7.2641 7.2641 7.3806 7.3806 7.9196 7.9196 8.3397 8.3397 8.9302 8.9302 9.0585 9.0585 9.3350 9.3350 9.7871 9.7871 9.8489 9.8489 9.8985 9.8985 10.8016 10.8016 11.1487 11.1487 k = 0.3654 0.5218-0.0000 ( 2600 PWs) bands (ev): 0.1866 0.1866 0.5342 0.5342 3.9701 3.9701 5.9150 5.9150 6.1677 6.1677 7.2787 7.2787 7.3901 7.3901 7.9232 7.9232 8.3749 8.3749 8.9334 8.9334 9.0596 9.0596 9.3267 9.3267 9.7886 9.7886 9.8482 9.8482 9.9548 9.9548 10.7037 10.7037 11.1809 11.1809 k = 0.3590 0.5329-0.0000 ( 2602 PWs) bands (ev): 0.2241 0.2241 0.5146 0.5146 3.9399 3.9399 5.9122 5.9122 6.1454 6.1454 7.2941 7.2941 7.3958 7.3958 7.9259 7.9259 8.4050 8.4050 8.9364 8.9364 9.0594 9.0594 9.3190 9.3190 9.7895 9.7895 9.8474 9.8474 10.0138 10.0138 10.6093 10.6093 11.2123 11.2123 k = 0.3526 0.5440-0.0000 ( 2602 PWs) bands (ev): 0.2628 0.2628 0.4902 0.4902 3.9152 3.9152 5.9121 5.9121 6.1268 6.1268 7.3106 7.3106 7.3970 7.3970 7.9281 7.9281 8.4293 8.4293 8.9389 8.9389 9.0583 9.0583 9.3124 9.3124 9.7902 9.7902 9.8469 9.8469 10.0751 10.0751 10.5196 10.5196 11.2423 11.2423 k = 0.3462 0.5551-0.0000 ( 2598 PWs) bands (ev): 0.3027 0.3027 0.4606 0.4606 3.8968 3.8968 5.9134 5.9134 6.1127 6.1127 7.3280 7.3280 7.3930 7.3930 7.9296 7.9296 8.4471 8.4471 8.9411 8.9411 9.0569 9.0569 9.3073 9.3073 9.7906 9.7906 9.8465 9.8465 10.1378 10.1378 10.4360 10.4360 11.2701 11.2701 k = 0.3397 0.5662-0.0000 ( 2606 PWs) bands (ev): 0.3437 0.3437 0.4259 0.4259 3.8855 3.8855 5.9149 5.9149 6.1037 6.1037 7.3463 7.3463 7.3832 7.3832 7.9305 7.9305 8.4580 8.4580 8.9425 8.9425 9.0555 9.0555 9.3039 9.3039 9.7907 9.7907 9.8461 9.8461 10.1997 10.1997 10.3612 10.3612 11.2929 11.2929 k = 0.3333 0.5774-0.0000 ( 2610 PWs) bands (ev): 0.3852 0.3852 0.3866 0.3866 3.8816 3.8816 5.9157 5.9157 6.1006 6.1006 7.3625 7.3625 7.3699 7.3699 7.9308 7.9308 8.4617 8.4617 8.9430 8.9430 9.0549 9.0549 9.3027 9.3027 9.7907 9.7907 9.8459 9.8459 10.2398 10.2398 10.3167 10.3167 11.3026 11.3026 k = 0.3333 0.5774-0.0000 ( 2610 PWs) bands (ev): 0.3852 0.3852 0.3866 0.3866 3.8816 3.8816 5.9157 5.9157 6.1006 6.1006 7.3625 7.3625 7.3699 7.3699 7.9308 7.9308 8.4617 8.4617 8.9430 8.9430 9.0549 9.0549 9.3027 9.3027 9.7907 9.7907 9.8459 9.8459 10.2398 10.2398 10.3167 10.3167 11.3026 11.3026 k = 0.3269 0.5662-0.0000 ( 2608 PWs) bands (ev): 0.3407 0.3407 0.4290 0.4290 3.8856 3.8856 5.9148 5.9148 6.1037 6.1037 7.3423 7.3423 7.3871 7.3871 7.9305 7.9305 8.4580 8.4580 8.9423 8.9423 9.0557 9.0557 9.3040 9.3040 9.7907 9.7907 9.8461 9.8461 10.2019 10.2019 10.3592 10.3592 11.2964 11.2964 k = 0.3205 0.5551-0.0000 ( 2604 PWs) bands (ev): 0.2904 0.2904 0.4730 0.4730 3.8975 3.8975 5.9123 5.9123 6.1127 6.1127 7.3116 7.3116 7.4084 7.4084 7.9296 7.9296 8.4472 8.4472 8.9401 8.9401 9.0585 9.0585 9.3078 9.3078 9.7906 9.7906 9.8463 9.8463 10.1473 10.1473 10.4273 10.4273 11.2889 11.2889 k = 0.3141 0.5440-0.0000 ( 2600 PWs) bands (ev): 0.2354 0.2354 0.5177 0.5177 3.9174 3.9174 5.9087 5.9087 6.1270 6.1270 7.2734 7.2734 7.4310 7.4310 7.9283 7.9283 8.4295 8.4295 8.9361 8.9361 9.0633 9.0633 9.3142 9.3142 9.7904 9.7904 9.8468 9.8468 10.0971 10.0971 10.5003 10.5003 11.2880 11.2880 k = 0.3077 0.5329-0.0000 ( 2604 PWs) bands (ev): 0.1758 0.1758 0.5632 0.5632 3.9452 3.9452 5.9045 5.9045 6.1454 6.1454 7.2279 7.2279 7.4545 7.4545 7.9261 7.9261 8.4055 8.4055 8.9304 8.9304 9.0704 9.0704 9.3228 9.3228 9.7901 9.7901 9.8472 9.8472 10.0537 10.0537 10.5759 10.5759 11.2953 11.2953 k = 0.3013 0.5218-0.0000 ( 2600 PWs) bands (ev): 0.1122 0.1122 0.6093 0.6093 3.9808 3.9808 5.9005 5.9005 6.1670 6.1670 7.1755 7.1755 7.4791 7.4791 7.9233 7.9233 8.3761 8.3761 8.9234 8.9234 9.0796 9.0796 9.3330 9.3330 9.7899 9.7899 9.8479 9.8479 10.0181 10.0181 10.6535 10.6535 11.3108 11.3108 k = 0.2949 0.5107-0.0000 ( 2600 PWs) bands (ev): 0.0449 0.0449 0.6559 0.6559 4.0239 4.0239 5.8971 5.8971 6.1912 6.1912 7.1167 7.1167 7.5047 7.5047 7.9199 7.9199 8.3420 8.3420 8.9152 8.9152 9.0906 9.0906 9.3441 9.3441 9.7897 9.7897 9.8484 9.8484 9.9907 9.9907 10.7330 10.7330 11.3341 11.3341 k = 0.2885 0.4996-0.0000 ( 2600 PWs) bands (ev): -0.0256 -0.0256 0.7028 0.7028 4.0742 4.0742 5.8947 5.8947 6.2170 6.2170 7.0521 7.0521 7.5312 7.5312 7.9159 7.9159 8.3040 8.3040 8.9064 8.9064 9.1032 9.1032 9.3549 9.3549 9.7896 9.7896 9.8489 9.8489 9.9720 9.9720 10.8139 10.8139 11.3644 11.3644 k = 0.2821 0.4885-0.0000 ( 2600 PWs) bands (ev): -0.0990 -0.0990 0.7501 0.7501 4.1313 4.1313 5.8936 5.8936 6.2441 6.2441 6.9825 6.9825 7.5585 7.5585 7.9113 7.9113 8.2630 8.2630 8.8973 8.8973 9.1173 9.1173 9.3643 9.3643 9.7895 9.7895 9.8494 9.8494 9.9626 9.9626 10.8963 10.8963 11.4009 11.4009 k = 0.2756 0.4774-0.0000 ( 2596 PWs) bands (ev): -0.1747 -0.1747 0.7975 0.7975 4.1949 4.1949 5.8940 5.8940 6.2719 6.2719 6.9088 6.9088 7.5868 7.5868 7.9061 7.9061 8.2200 8.2200 8.8881 8.8881 9.1326 9.1326 9.3714 9.3714 9.7894 9.7894 9.8498 9.8498 9.9627 9.9627 10.9799 10.9799 11.4427 11.4427 k = 0.2692 0.4663-0.0000 ( 2598 PWs) bands (ev): -0.2523 -0.2523 0.8449 0.8449 4.2646 4.2646 5.8958 5.8958 6.2998 6.2998 6.8319 6.8319 7.6156 7.6156 7.9004 7.9004 8.1756 8.1756 8.8791 8.8791 9.1491 9.1491 9.3753 9.3753 9.7892 9.7892 9.8503 9.8503 9.9722 9.9722 11.0645 11.0645 11.4892 11.4892 k = 0.2628 0.4552-0.0000 ( 2600 PWs) bands (ev): -0.3313 -0.3313 0.8922 0.8922 4.3400 4.3400 5.8992 5.8992 6.3272 6.3272 6.7529 6.7529 7.6450 7.6450 7.8942 7.8942 8.1307 8.1307 8.8706 8.8706 9.1666 9.1666 9.3758 9.3758 9.7891 9.7891 9.8509 9.8509 9.9905 9.9905 11.1500 11.1500 11.5394 11.5394 k = 0.2564 0.4441-0.0000 ( 2596 PWs) bands (ev): -0.4115 -0.4115 0.9394 0.9394 4.4207 4.4207 5.9040 5.9040 6.3531 6.3531 6.6735 6.6735 7.6747 7.6747 7.8877 7.8877 8.0861 8.0861 8.8628 8.8628 9.1851 9.1851 9.3729 9.3729 9.7889 9.7889 9.8518 9.8518 10.0168 10.0168 11.2359 11.2359 11.5928 11.5928 k = 0.2500 0.4330-0.0000 ( 2590 PWs) bands (ev): -0.4925 -0.4925 0.9862 0.9862 4.5063 4.5063 5.9100 5.9100 6.3749 6.3749 6.5967 6.5967 7.7040 7.7040 7.8812 7.8812 8.0426 8.0426 8.8558 8.8558 9.2047 9.2047 9.3669 9.3669 9.7889 9.7889 9.8529 9.8529 10.0500 10.0500 11.3220 11.3220 11.6489 11.6489 k = 0.2436 0.4219-0.0000 ( 2598 PWs) bands (ev): -0.5738 -0.5738 1.0326 1.0326 4.5965 4.5965 5.9168 5.9168 6.3845 6.3845 6.5316 6.5316 7.7317 7.7317 7.8754 7.8754 8.0012 8.0012 8.8498 8.8498 9.2251 9.2251 9.3583 9.3583 9.7888 9.7888 9.8537 9.8537 10.0890 10.0890 11.4076 11.4076 11.7073 11.7073 k = 0.2372 0.4108-0.0000 ( 2596 PWs) bands (ev): -0.6553 -0.6553 1.0784 1.0784 4.6908 4.6908 5.9237 5.9237 6.3603 6.3603 6.5007 6.5007 7.7554 7.7554 7.8722 7.8722 7.9630 7.9630 8.8451 8.8451 9.2465 9.2465 9.3478 9.3478 9.7888 9.7888 9.8548 9.8548 10.1327 10.1327 11.4922 11.4922 11.7679 11.7679 k = 0.2308 0.3997-0.0000 ( 2596 PWs) bands (ev): -0.7365 -0.7365 1.1235 1.1235 4.7889 4.7889 5.9295 5.9295 6.3020 6.3020 6.5059 6.5059 7.7699 7.7699 7.8749 7.8749 7.9304 7.9304 8.8417 8.8417 9.2686 9.2686 9.3359 9.3359 9.7889 9.7889 9.8559 9.8559 10.1799 10.1799 11.5748 11.5748 11.8309 11.8309 k = 0.2244 0.3886-0.0000 ( 2608 PWs) bands (ev): -0.8173 -0.8173 1.1678 1.1678 4.8901 4.8901 5.9312 5.9312 6.2357 6.2357 6.5241 6.5241 7.7704 7.7704 7.8800 7.8800 7.9120 7.9120 8.8396 8.8396 9.2907 9.2907 9.3238 9.3238 9.7891 9.7891 9.8569 9.8569 10.2298 10.2298 11.6544 11.6544 11.8967 11.8967 k = 0.2179 0.3775-0.0000 ( 2610 PWs) bands (ev): -0.8974 -0.8974 1.2112 1.2112 4.9941 4.9941 5.9235 5.9235 6.1769 6.1769 6.5456 6.5456 7.7581 7.7581 7.8681 7.8681 7.9263 7.9263 8.8393 8.8393 9.3019 9.3019 9.3228 9.3228 9.7895 9.7895 9.8580 9.8580 10.2816 10.2816 11.7298 11.7298 11.9658 11.9658 k = 0.2115 0.3664-0.0000 ( 2602 PWs) bands (ev): -0.9767 -0.9767 1.2535 1.2535 5.1002 5.1002 5.8985 5.8985 6.1365 6.1365 6.5677 6.5677 7.7384 7.7384 7.8526 7.8526 7.9555 7.9555 8.8407 8.8407 9.2906 9.2906 9.3450 9.3450 9.7902 9.7902 9.8592 9.8592 10.3345 10.3345 11.8000 11.8000 12.0374 12.0374 k = 0.2051 0.3553-0.0000 ( 2606 PWs) bands (ev): -1.0548 -1.0548 1.2948 1.2948 5.2075 5.2075 5.8529 5.8529 6.1192 6.1192 6.5894 6.5894 7.7156 7.7156 7.8395 7.8395 7.9892 7.9892 8.8438 8.8438 9.2759 9.2759 9.3710 9.3710 9.7908 9.7908 9.8602 9.8602 10.3879 10.3879 11.8645 11.8645 12.1021 12.1021 k = 0.1987 0.3442-0.0000 ( 2610 PWs) bands (ev): -1.1317 -1.1317 1.3348 1.3348 5.3142 5.3142 5.7939 5.7939 6.1197 6.1197 6.6104 6.6104 7.6926 7.6926 7.8285 7.8285 8.0251 8.0251 8.8489 8.8489 9.2607 9.2607 9.3985 9.3985 9.7916 9.7916 9.8613 9.8613 10.4415 10.4415 11.9230 11.9230 12.1562 12.1562 k = 0.1923 0.3331-0.0000 ( 2614 PWs) bands (ev): -1.2072 -1.2072 1.3735 1.3735 5.4157 5.4157 5.7329 5.7329 6.1306 6.1306 6.6305 6.6305 7.6711 7.6711 7.8194 7.8194 8.0624 8.0624 8.8560 8.8560 9.2451 9.2451 9.4272 9.4272 9.7925 9.7925 9.8623 9.8623 10.4946 10.4946 11.9758 11.9758 12.2089 12.2089 k = 0.1859 0.3220-0.0000 ( 2610 PWs) bands (ev): -1.2811 -1.2811 1.4108 1.4108 5.4943 5.4943 5.6921 5.6921 6.1472 6.1472 6.6498 6.6498 7.6523 7.6523 7.8117 7.8117 8.1008 8.1008 8.8652 8.8652 9.2297 9.2297 9.4572 9.4572 9.7934 9.7934 9.8633 9.8633 10.5471 10.5471 12.0231 12.0231 12.2619 12.2619 k = 0.1795 0.3109-0.0000 ( 2610 PWs) bands (ev): -1.3533 -1.3533 1.4467 1.4467 5.5004 5.5004 5.7223 5.7223 6.1673 6.1673 6.6684 6.6684 7.6367 7.6367 7.8055 7.8055 8.1397 8.1397 8.8768 8.8768 9.2141 9.2141 9.4883 9.4883 9.7945 9.7945 9.8644 9.8644 10.5985 10.5985 12.0647 12.0647 12.3156 12.3156 k = 0.1731 0.2998-0.0000 ( 2604 PWs) bands (ev): -1.4238 -1.4238 1.4811 1.4811 5.4485 5.4485 5.8094 5.8094 6.1896 6.1896 6.6866 6.6866 7.6248 7.6248 7.8008 7.8008 8.1792 8.1792 8.8910 8.8910 9.1987 9.1987 9.5207 9.5207 9.7958 9.7958 9.8655 9.8655 10.6485 10.6485 12.1009 12.1009 12.3703 12.3703 k = 0.1667 0.2887-0.0000 ( 2604 PWs) bands (ev): -1.4923 -1.4923 1.5139 1.5139 5.3820 5.3820 5.9090 5.9090 6.2137 6.2137 6.7048 6.7048 7.6168 7.6168 7.7976 7.7976 8.2189 8.2189 8.9078 8.9078 9.1835 9.1835 9.5543 9.5543 9.7971 9.7971 9.8666 9.8666 10.6970 10.6970 12.1316 12.1316 12.4259 12.4259 k = 0.1603 0.2776-0.0000 ( 2600 PWs) bands (ev): -1.5588 -1.5588 1.5452 1.5452 5.3125 5.3125 6.0079 6.0079 6.2401 6.2401 6.7239 6.7239 7.6131 7.6131 7.7963 7.7963 8.2589 8.2589 8.9275 8.9275 9.1686 9.1686 9.5891 9.5891 9.7985 9.7985 9.8678 9.8678 10.7438 10.7438 12.1571 12.1571 12.4825 12.4825 k = 0.1538 0.2665-0.0000 ( 2602 PWs) bands (ev): -1.6232 -1.6232 1.5748 1.5748 5.2430 5.2430 6.0994 6.0994 6.2702 6.2702 6.7447 6.7447 7.6138 7.6138 7.7969 7.7969 8.2988 8.2988 8.9504 8.9504 9.1539 9.1539 9.6251 9.6251 9.7999 9.7999 9.8692 9.8692 10.7887 10.7887 12.1777 12.1777 12.5398 12.5398 k = 0.1474 0.2554-0.0000 ( 2610 PWs) bands (ev): -1.6855 -1.6855 1.6028 1.6028 5.1748 5.1748 6.1759 6.1759 6.3083 6.3083 6.7689 6.7689 7.6188 7.6188 7.7995 7.7995 8.3387 8.3387 8.9768 8.9768 9.1396 9.1396 9.6624 9.6624 9.8013 9.8013 9.8707 9.8707 10.8316 10.8316 12.1938 12.1938 12.5974 12.5974 k = 0.1410 0.2443-0.0000 ( 2606 PWs) bands (ev): -1.7455 -1.7455 1.6292 1.6292 5.1082 5.1082 6.2303 6.2303 6.3578 6.3578 6.7985 6.7985 7.6284 7.6284 7.8046 7.8046 8.3784 8.3784 9.0070 9.0070 9.1256 9.1256 9.7007 9.7007 9.8030 9.8030 9.8726 9.8726 10.8725 10.8725 12.2061 12.2061 12.6548 12.6548 k = 0.1346 0.2332-0.0000 ( 2603 PWs) bands (ev): -1.8032 -1.8032 1.6540 1.6540 5.0438 5.0438 6.2658 6.2658 6.4125 6.4125 6.8354 6.8354 7.6422 7.6422 7.8123 7.8123 8.4178 8.4178 9.0414 9.0414 9.1121 9.1121 9.7398 9.7398 9.8048 9.8048 9.8751 9.8751 10.9112 10.9112 12.2151 12.2151 12.7117 12.7117 k = 0.1282 0.2221-0.0000 ( 2603 PWs) bands (ev): -1.8586 -1.8586 1.6772 1.6772 4.9817 4.9817 6.2908 6.2908 6.4617 6.4617 6.8805 6.8805 7.6601 7.6601 7.8227 7.8227 8.4568 8.4568 9.0800 9.0800 9.0995 9.0995 9.7781 9.7781 9.8073 9.8073 9.8791 9.8791 10.9478 10.9478 12.2216 12.2216 12.7673 12.7673 k = 0.1218 0.2110-0.0000 ( 2613 PWs) bands (ev): -1.9115 -1.9115 1.6989 1.6989 4.9221 4.9221 6.3101 6.3101 6.5005 6.5005 6.9328 6.9328 7.6818 7.6818 7.8359 7.8359 8.4953 8.4953 9.0856 9.0856 9.1251 9.1251 9.8040 9.8040 9.8198 9.8198 9.8871 9.8871 10.9822 10.9822 12.2262 12.2262 12.8212 12.8212 k = 0.1154 0.1999-0.0000 ( 2613 PWs) bands (ev): -1.9619 -1.9619 1.7190 1.7190 4.8651 4.8651 6.3259 6.3259 6.5288 6.5288 6.9896 6.9896 7.7070 7.7070 7.8520 7.8520 8.5332 8.5332 9.0737 9.0737 9.1743 9.1743 9.8080 9.8080 9.8451 9.8451 9.9059 9.9059 11.0145 11.0145 12.2297 12.2297 12.8727 12.8727 k = 0.1090 0.1887-0.0000 ( 2625 PWs) bands (ev): -2.0099 -2.0099 1.7376 1.7376 4.8108 4.8108 6.3390 6.3390 6.5484 6.5484 7.0474 7.0474 7.7352 7.7352 7.8710 7.8710 8.5703 8.5703 9.0621 9.0621 9.2292 9.2292 9.8100 9.8100 9.8584 9.8584 9.9400 9.9400 11.0446 11.0446 12.2329 12.2329 12.9213 12.9213 k = 0.1026 0.1776-0.0000 ( 2621 PWs) bands (ev): -2.0553 -2.0553 1.7547 1.7547 4.7592 4.7592 6.3500 6.3500 6.5617 6.5617 7.1031 7.1031 7.7661 7.7661 7.8927 7.8927 8.6065 8.6065 9.0512 9.0512 9.2899 9.2899 9.8117 9.8117 9.8645 9.8645 9.9833 9.9833 11.0726 11.0726 12.2366 12.2366 12.9664 12.9664 k = 0.0962 0.1665-0.0000 ( 2621 PWs) bands (ev): -2.0981 -2.0981 1.7705 1.7705 4.7106 4.7106 6.3590 6.3590 6.5704 6.5704 7.1544 7.1544 7.7992 7.7992 7.9164 7.9164 8.6417 8.6417 9.0409 9.0409 9.3561 9.3561 9.8134 9.8134 9.8680 9.8680 10.0308 10.0308 11.0986 11.0986 12.2416 12.2416 13.0074 13.0074 k = 0.0897 0.1554-0.0000 ( 2625 PWs) bands (ev): -2.1383 -2.1383 1.7849 1.7849 4.6648 4.6648 6.3665 6.3665 6.5759 6.5759 7.2002 7.2002 7.8337 7.8337 7.9417 7.9417 8.6756 8.6756 9.0313 9.0313 9.4275 9.4275 9.8151 9.8151 9.8706 9.8706 10.0807 10.0807 11.1226 11.1226 12.2487 12.2487 13.0439 13.0439 k = 0.0833 0.1443-0.0000 ( 2621 PWs) bands (ev): -2.1758 -2.1758 1.7980 1.7980 4.6221 4.6221 6.3725 6.3725 6.5792 6.5792 7.2401 7.2401 7.8691 7.8691 7.9676 7.9676 8.7082 8.7082 9.0225 9.0225 9.5033 9.5033 9.8168 9.8168 9.8727 9.8727 10.1326 10.1326 11.1446 11.1446 12.2589 12.2589 13.0752 13.0752 k = 0.0769 0.1332-0.0000 ( 2623 PWs) bands (ev): -2.2106 -2.2106 1.8098 1.8098 4.5823 4.5823 6.3772 6.3772 6.5810 6.5810 7.2741 7.2741 7.9046 7.9046 7.9936 7.9936 8.7391 8.7391 9.0144 9.0144 9.5822 9.5822 9.8188 9.8188 9.8749 9.8749 10.1862 10.1862 11.1647 11.1647 12.2728 12.2728 13.1012 13.1012 k = 0.0705 0.1221-0.0000 ( 2623 PWs) bands (ev): -2.2428 -2.2428 1.8205 1.8205 4.5456 4.5456 6.3808 6.3808 6.5817 6.5817 7.3025 7.3025 7.9397 7.9397 8.0188 8.0188 8.7680 8.7680 9.0075 9.0075 9.6622 9.6622 9.8213 9.8213 9.8773 9.8773 10.2413 10.2413 11.1829 11.1829 12.2914 12.2914 13.1214 13.1214 k = 0.0641 0.1110-0.0000 ( 2625 PWs) bands (ev): -2.2722 -2.2722 1.8301 1.8301 4.5120 4.5120 6.3835 6.3835 6.5817 6.5817 7.3264 7.3264 7.9737 7.9737 8.0425 8.0425 8.7948 8.7948 9.0015 9.0015 9.7391 9.7391 9.8260 9.8260 9.8808 9.8808 10.2979 10.2979 11.1993 11.1993 12.3153 12.3153 13.1356 13.1356 k = 0.0577 0.0999-0.0000 ( 2625 PWs) bands (ev): -2.2988 -2.2988 1.8385 1.8385 4.4815 4.4815 6.3854 6.3854 6.5813 6.5813 7.3461 7.3461 8.0060 8.0060 8.0645 8.0645 8.8192 8.8192 8.9966 8.9966 9.7960 9.7960 9.8430 9.8430 9.8902 9.8902 10.3558 10.3558 11.2140 11.2140 12.3454 12.3455 13.1438 13.1438 k = 0.0513 0.0888-0.0000 ( 2625 PWs) bands (ev): -2.3227 -2.3227 1.8460 1.8460 4.4542 4.4542 6.3868 6.3868 6.5807 6.5807 7.3623 7.3623 8.0362 8.0362 8.0844 8.0844 8.8405 8.8405 8.9930 8.9930 9.8123 9.8123 9.8667 9.8667 9.9294 9.9294 10.4149 10.4149 11.2269 11.2269 12.3824 12.3824 13.1463 13.1463 k = 0.0449 0.0777-0.0000 ( 2633 PWs) bands (ev): -2.3439 -2.3439 1.8524 1.8524 4.4300 4.4300 6.3876 6.3876 6.5799 6.5799 7.3756 7.3756 8.0637 8.0637 8.1020 8.1020 8.8587 8.8587 8.9908 8.9908 9.8163 9.8163 9.8734 9.8734 9.9918 9.9918 10.4745 10.4745 11.2382 11.2382 12.4268 12.4268 13.1432 13.1432 k = 0.0385 0.0666-0.0000 ( 2637 PWs) bands (ev): -2.3622 -2.3622 1.8579 1.8579 4.4090 4.4090 6.3880 6.3880 6.5791 6.5791 7.3863 7.3863 8.0882 8.0882 8.1172 8.1172 8.8737 8.8737 8.9903 8.9903 9.8182 9.8182 9.8760 9.8760 10.0524 10.0524 10.5337 10.5337 11.2478 11.2478 12.4789 12.4789 13.1353 13.1353 k = 0.0321 0.0555-0.0000 ( 2651 PWs) bands (ev): -2.3777 -2.3777 1.8625 1.8625 4.3912 4.3912 6.3881 6.3881 6.5782 6.5782 7.3948 7.3948 8.1092 8.1092 8.1299 8.1299 8.8852 8.8852 8.9910 8.9910 9.8194 9.8194 9.8776 9.8776 10.1054 10.1054 10.5907 10.5907 11.2557 11.2557 12.5390 12.5390 13.1233 13.1233 k = 0.0256 0.0444-0.0000 ( 2657 PWs) bands (ev): -2.3905 -2.3905 1.8662 1.8662 4.3766 4.3766 6.3881 6.3881 6.5776 6.5776 7.4014 7.4014 8.1269 8.1269 8.1405 8.1405 8.8936 8.8936 8.9928 8.9928 9.8201 9.8201 9.8786 9.8786 10.1492 10.1492 10.6431 10.6431 11.2622 11.2622 12.6071 12.6071 13.1078 13.1078 k = 0.0192 0.0333-0.0000 ( 2667 PWs) bands (ev): -2.4004 -2.4004 1.8690 1.8690 4.3652 4.3652 6.3880 6.3880 6.5770 6.5770 7.4063 7.4063 8.1404 8.1404 8.1488 8.1488 8.8992 8.8992 8.9952 8.9952 9.8206 9.8206 9.8793 9.8793 10.1832 10.1832 10.6882 10.6882 11.2672 11.2672 12.6825 12.6825 13.0886 13.0886 k = 0.0128 0.0222-0.0000 ( 2667 PWs) bands (ev): -2.4074 -2.4074 1.8711 1.8711 4.3571 4.3571 6.3879 6.3879 6.5766 6.5766 7.4098 7.4098 8.1497 8.1497 8.1554 8.1554 8.9028 8.9028 8.9975 8.9975 9.8210 9.8210 9.8799 9.8799 10.2074 10.2074 10.7229 10.7229 11.2707 11.2707 12.7636 12.7636 13.0623 13.0623 k = 0.0064 0.0111-0.0000 ( 2667 PWs) bands (ev): -2.4117 -2.4117 1.8723 1.8723 4.3523 4.3523 6.3878 6.3878 6.5764 6.5764 7.4118 7.4118 8.1546 8.1546 8.1600 8.1600 8.9047 8.9047 8.9991 8.9991 9.8212 9.8212 9.8802 9.8802 10.2218 10.2218 10.7449 10.7449 11.2728 11.2728 12.8463 12.8463 13.0203 13.0203 k = 0.0000 0.0000 0.0000 ( 2667 PWs) bands (ev): -2.4131 -2.4131 1.8727 1.8727 4.3506 4.3506 6.3878 6.3878 6.5763 6.5763 7.4125 7.4125 8.1561 8.1561 8.1617 8.1617 8.9053 8.9053 8.9996 8.9996 9.8213 9.8213 9.8803 9.8803 10.2266 10.2266 10.7524 10.7524 11.2735 11.2735 12.9015 12.9015 12.9789 12.9789 k = 0.0000 0.0000 0.0000 ( 2667 PWs) bands (ev): -2.4131 -2.4131 1.8727 1.8727 4.3506 4.3506 6.3878 6.3878 6.5763 6.5763 7.4125 7.4125 8.1561 8.1561 8.1617 8.1617 8.9053 8.9053 8.9996 8.9996 9.8213 9.8213 9.8803 9.8803 10.2266 10.2266 10.7524 10.7524 11.2735 11.2735 12.9015 12.9015 12.9789 12.9789 k = 0.0000 0.0000 0.0128 ( 2667 PWs) bands (ev): -2.4117 -2.4117 1.8629 1.8629 4.3618 4.3618 6.3888 6.3888 6.5773 6.5773 7.4137 7.4137 8.1568 8.1568 8.1624 8.1624 8.9028 8.9028 8.9957 8.9957 9.8129 9.8129 9.8753 9.8753 10.2382 10.2382 10.7593 10.7593 11.2697 11.2697 12.9060 12.9060 12.9787 12.9787 k = 0.0000 0.0000 0.0255 ( 2667 PWs) bands (ev): -2.4073 -2.4073 1.8343 1.8343 4.3947 4.3947 6.3921 6.3921 6.5804 6.5804 7.4172 7.4172 8.1591 8.1591 8.1646 8.1646 8.8954 8.8954 8.9838 8.9838 9.7905 9.7905 9.8608 9.8608 10.2702 10.2702 10.7796 10.7796 11.2586 11.2586 12.9192 12.9192 12.9782 12.9782 k = 0.0000 0.0000 0.0383 ( 2655 PWs) bands (ev): -2.4001 -2.4001 1.7883 1.7883 4.4479 4.4479 6.3976 6.3976 6.5854 6.5854 7.4231 7.4231 8.1630 8.1630 8.1685 8.1685 8.8832 8.8832 8.9643 8.9643 9.7592 9.7592 9.8382 9.8382 10.3171 10.3171 10.8119 10.8119 11.2406 11.2406 12.9401 12.9401 12.9780 12.9780 k = 0.0000 0.0000 0.0511 ( 2625 PWs) bands (ev): -2.3899 -2.3899 1.7269 1.7269 4.5193 4.5193 6.4053 6.4053 6.5926 6.5926 7.4318 7.4318 8.1685 8.1685 8.1738 8.1738 8.8662 8.8662 8.9375 8.9375 9.7240 9.7240 9.8094 9.8094 10.3742 10.3742 10.8543 10.8543 11.2159 11.2159 12.9622 12.9622 12.9843 12.9843 k = 0.0000 0.0000 0.0638 ( 2625 PWs) bands (ev): -2.3769 -2.3769 1.6525 1.6525 4.6063 4.6063 6.4150 6.4150 6.6016 6.6016 7.4424 7.4424 8.1753 8.1753 8.1805 8.1805 8.8443 8.8443 8.9037 8.9037 9.6871 9.6871 9.7758 9.7758 10.4379 10.4379 10.9050 10.9050 11.1852 11.1852 12.9666 12.9666 13.0152 13.0152 k = 0.0000 0.0000 0.0766 ( 2625 PWs) bands (ev): -2.3610 -2.3610 1.5676 1.5676 4.7065 4.7065 6.4270 6.4270 6.6126 6.6126 7.4551 7.4551 8.1836 8.1836 8.1885 8.1885 8.8179 8.8179 8.8636 8.8636 9.6504 9.6504 9.7390 9.7390 10.5062 10.5062 10.9624 10.9624 11.1493 11.1493 12.9643 12.9643 13.0594 13.0594 k = 0.0000 0.0000 0.0894 ( 2625 PWs) bands (ev): -2.3422 -2.3422 1.4743 1.4743 4.8177 4.8177 6.4412 6.4412 6.6257 6.6257 7.4701 7.4701 8.1933 8.1933 8.1980 8.1980 8.7872 8.7872 8.8179 8.8179 9.6147 9.6147 9.7004 9.7004 10.5777 10.5777 11.0250 11.0250 11.1089 11.1089 12.9603 12.9603 13.1110 13.1110 k = 0.0000 0.0000 0.1021 ( 2625 PWs) bands (ev): -2.3205 -2.3205 1.3744 1.3744 4.9379 4.9379 6.4576 6.4576 6.6406 6.6406 7.4872 7.4872 8.2045 8.2045 8.2089 8.2089 8.7522 8.7522 8.7673 8.7673 9.5799 9.5799 9.6608 9.6608 10.6513 10.6513 11.0647 11.0647 11.0917 11.0917 12.9553 12.9553 13.1688 13.1689 k = 0.0000 0.0000 0.1149 ( 2625 PWs) bands (ev): -2.2959 -2.2959 1.2695 1.2695 5.0653 5.0653 6.4762 6.4762 6.6576 6.6576 7.5063 7.5063 8.2172 8.2172 8.2211 8.2211 8.7125 8.7125 8.7135 8.7135 9.5462 9.5462 9.6209 9.6209 10.7265 10.7265 11.0173 11.0173 11.1617 11.1617 12.9493 12.9493 13.1316 13.1316 k = 0.0000 0.0000 0.1276 ( 2607 PWs) bands (ev): -2.2685 -2.2685 1.1610 1.1610 5.1985 5.1985 6.4971 6.4971 6.6765 6.6765 7.5276 7.5276 8.2314 8.2314 8.2348 8.2348 8.6545 8.6545 8.6713 8.6713 9.5133 9.5133 9.5810 9.5810 10.8025 10.8025 10.9674 10.9674 11.2342 11.2342 12.9423 12.9423 13.0196 13.0196 k = 0.0000 0.0000 0.1404 ( 2601 PWs) bands (ev): -2.2382 -2.2382 1.0499 1.0499 5.3362 5.3362 6.5204 6.5204 6.6974 6.6974 7.5503 7.5503 8.2470 8.2470 8.2496 8.2496 8.5936 8.5936 8.6260 8.6260 9.4809 9.4809 9.5414 9.5414 10.8790 10.8790 10.9156 10.9156 11.3087 11.3087 12.9027 12.9027 12.9343 12.9343 k = 0.0000 0.0000 0.1532 ( 2601 PWs) bands (ev): -2.2051 -2.2051 0.9370 0.9370 5.4772 5.4772 6.5461 6.5461 6.7201 6.7201 7.5747 7.5747 8.2638 8.2638 8.2654 8.2654 8.5305 8.5305 8.5780 8.5780 9.4488 9.4488 9.5021 9.5021 10.8623 10.8623 10.9552 10.9552 11.3846 11.3846 12.7821 12.7821 12.9251 12.9251 k = 0.0000 0.0000 0.1659 ( 2601 PWs) bands (ev): -2.1691 -2.1691 0.8230 0.8230 5.6204 5.6204 6.5743 6.5743 6.7448 6.7448 7.6005 7.6005 8.2820 8.2820 8.2820 8.2820 8.4657 8.4657 8.5280 8.5280 9.4168 9.4168 9.4633 9.4633 10.8080 10.8080 11.0308 11.0308 11.4616 11.4616 12.6589 12.6589 12.9148 12.9148 k = 0.0000 0.0000 0.1787 ( 2595 PWs) bands (ev): -2.1302 -2.1302 0.7085 0.7085 5.7649 5.7649 6.6052 6.6052 6.7713 6.7713 7.6276 7.6276 8.2988 8.2988 8.3017 8.3017 8.3997 8.3997 8.4771 8.4771 9.3847 9.3847 9.4249 9.4249 10.7534 10.7534 11.1048 11.1048 11.5394 11.5394 12.5342 12.5342 12.9032 12.9032 k = 0.0000 0.0000 0.1915 ( 2583 PWs) bands (ev): -2.0885 -2.0885 0.5941 0.5941 5.9095 5.9095 6.6392 6.6392 6.7998 6.7998 7.6557 7.6557 8.3132 8.3132 8.3225 8.3225 8.3328 8.3328 8.4280 8.4280 9.3524 9.3524 9.3869 9.3869 10.6989 10.6989 11.1765 11.1765 11.6176 11.6176 12.4095 12.4095 12.8902 12.8902 k = 0.0000 0.0000 0.2042 ( 2583 PWs) bands (ev): -2.0440 -2.0440 0.4800 0.4800 6.0530 6.0530 6.6767 6.6767 6.8299 6.8299 7.6845 7.6845 8.2654 8.2654 8.3142 8.3142 8.3446 8.3446 8.3920 8.3920 9.3198 9.3198 9.3491 9.3491 10.6450 10.6450 11.2441 11.2441 11.6958 11.6958 12.2868 12.2868 12.8757 12.8757 k = 0.0000 0.0000 0.2170 ( 2601 PWs) bands (ev): -1.9967 -1.9967 0.3665 0.3665 6.1939 6.1939 6.7185 6.7185 6.8619 6.8619 7.7132 7.7132 8.1977 8.1977 8.2816 8.2816 8.3679 8.3679 8.3896 8.3896 9.2866 9.2866 9.3113 9.3113 10.5923 10.5923 11.3050 11.3050 11.7739 11.7739 12.1691 12.1691 12.8596 12.8596 k = 0.0000 0.0000 0.2298 ( 2583 PWs) bands (ev): -1.9466 -1.9466 0.2541 0.2541 6.3298 6.3298 6.7663 6.7663 6.8958 6.8958 7.7424 7.7424 8.1302 8.1302 8.2301 8.2301 8.3925 8.3925 8.4065 8.4065 9.2533 9.2533 9.2740 9.2740 10.5414 10.5414 11.3545 11.3545 11.8517 11.8517 12.0618 12.0618 12.8418 12.8418 k = 0.0000 0.0000 0.2425 ( 2589 PWs) bands (ev): -1.8937 -1.8937 0.1429 0.1429 6.4577 6.4577 6.8221 6.8221 6.9313 6.9313 7.7708 7.7708 8.0631 8.0631 8.1735 8.1735 8.4181 8.4181 8.4288 8.4288 9.2194 9.2194 9.2366 9.2366 10.4928 10.4928 11.3837 11.3837 11.9288 11.9288 11.9738 11.9738 12.8221 12.8221 k = 0.0000 0.0000 0.2553 ( 2583 PWs) bands (ev): -1.8381 -1.8381 0.0330 0.0330 6.5734 6.5734 6.8895 6.8895 6.9685 6.9685 7.7976 7.7976 7.9973 7.9973 8.1151 8.1151 8.4447 8.4447 8.4536 8.4536 9.1853 9.1853 9.1996 9.1996 10.4474 10.4474 11.3803 11.3803 11.9181 11.9181 12.0050 12.0050 12.8003 12.8003 k = 0.0000 0.0000 0.2681 ( 2583 PWs) bands (ev): -1.7797 -1.7797 -0.0753 -0.0753 6.6728 6.6728 6.9715 6.9715 7.0074 7.0074 7.8196 7.8196 7.9353 7.9353 8.0558 8.0558 8.4725 8.4725 8.4802 8.4802 9.1507 9.1507 9.1625 9.1625 10.4059 10.4059 11.3365 11.3365 11.9030 11.9030 12.0800 12.0800 12.7765 12.7765 k = 0.0000 0.0000 0.2808 ( 2583 PWs) bands (ev): -1.7185 -1.7185 -0.1819 -0.1819 6.7556 6.7556 7.0479 7.0479 7.0675 7.0675 7.8217 7.8217 7.8916 7.8916 7.9963 7.9963 8.5013 8.5013 8.5080 8.5080 9.1157 9.1157 9.1254 9.1254 10.3692 10.3692 11.2593 11.2593 11.9219 11.9219 12.1536 12.1536 12.7503 12.7503 k = 0.0000 0.0000 0.2936 ( 2577 PWs) bands (ev): -1.6547 -1.6547 -0.2867 -0.2867 6.8258 6.8258 7.0900 7.0900 7.1727 7.1727 7.7782 7.7782 7.8919 7.8919 7.9367 7.9367 8.5310 8.5310 8.5369 8.5369 9.0805 9.0805 9.0884 9.0884 10.3383 10.3383 11.1628 11.1628 11.9615 11.9615 12.2256 12.2256 12.7219 12.7219 k = 0.0000 0.0000 0.3064 ( 2577 PWs) bands (ev): -1.5881 -1.5881 -0.3896 -0.3896 6.8882 6.8882 7.1337 7.1337 7.2807 7.2807 7.7178 7.7178 7.8773 7.8773 7.9059 7.9059 8.5616 8.5616 8.5669 8.5669 9.0450 9.0450 9.0514 9.0514 10.3142 10.3142 11.0577 11.0577 12.0119 12.0119 12.2957 12.2957 12.6909 12.6909 k = 0.0000 0.0000 0.3191 ( 2577 PWs) bands (ev): -1.5188 -1.5188 -0.4904 -0.4904 6.9467 6.9467 7.1789 7.1789 7.3868 7.3868 7.6549 7.6549 7.8183 7.8183 7.9185 7.9185 8.5931 8.5931 8.5977 8.5977 9.0094 9.0094 9.0146 9.0146 10.2981 10.2981 10.9505 10.9505 12.0672 12.0672 12.3638 12.3638 12.6574 12.6574 k = 0.0000 0.0000 0.3319 ( 2589 PWs) bands (ev): -1.4470 -1.4470 -0.5891 -0.5891 7.0033 7.0033 7.2255 7.2255 7.4874 7.4874 7.5918 7.5918 7.7597 7.7597 7.9266 7.9266 8.6251 8.6251 8.6292 8.6292 8.9736 8.9736 8.9779 8.9779 10.2911 10.2911 10.8451 10.8451 12.1246 12.1246 12.4295 12.4295 12.6213 12.6213 k = 0.0000 0.0000 0.3447 ( 2589 PWs) bands (ev): -1.3724 -1.3724 -0.6857 -0.6857 7.0593 7.0593 7.2736 7.2736 7.5293 7.5293 7.5802 7.5802 7.7018 7.7018 7.9283 7.9283 8.6581 8.6581 8.6617 8.6617 8.9378 8.9378 8.9414 8.9414 10.2943 10.2943 10.7444 10.7444 12.1824 12.1824 12.4927 12.4927 12.5825 12.5825 k = 0.0000 0.0000 0.3574 ( 2589 PWs) bands (ev): -1.2953 -1.2953 -0.7799 -0.7799 7.1154 7.1154 7.3230 7.3230 7.4675 7.4675 7.6447 7.6447 7.6634 7.6634 7.9223 7.9223 8.6916 8.6916 8.6949 8.6949 8.9020 8.9020 8.9051 8.9051 10.3088 10.3088 10.6505 10.6505 12.2394 12.2394 12.5410 12.5410 12.5531 12.5531 k = 0.0000 0.0000 0.3702 ( 2600 PWs) bands (ev): -1.2156 -1.2156 -0.8719 -0.8719 7.1719 7.1719 7.3737 7.3737 7.4065 7.4065 7.5884 7.5884 7.7357 7.7357 7.9071 7.9071 8.7257 8.7257 8.7286 8.7286 8.8662 8.8662 8.8689 8.8689 10.3354 10.3354 10.5652 10.5652 12.2951 12.2951 12.4967 12.4967 12.6107 12.6107 k = 0.0000 0.0000 0.3829 ( 2600 PWs) bands (ev): -1.1334 -1.1334 -0.9615 -0.9615 7.2292 7.2292 7.3465 7.3465 7.4257 7.4257 7.5331 7.5331 7.7962 7.7962 7.8816 7.8816 8.7603 8.7603 8.7629 8.7629 8.8306 8.8306 8.8332 8.8332 10.3744 10.3744 10.4900 10.4900 12.3489 12.3489 12.4499 12.4499 12.6653 12.6653 k = 0.0000 0.0000 0.3957 ( 2612 PWs) bands (ev): -1.0487 -1.0487 -1.0487 -1.0487 7.2874 7.2874 7.2874 7.2874 7.4788 7.4788 7.4788 7.4788 7.8448 7.8448 7.8448 7.8448 8.7952 8.7952 8.7952 8.7952 8.7978 8.7978 8.7978 8.7978 10.4261 10.4261 10.4261 10.4261 12.4006 12.4006 12.4006 12.4006 12.7167 12.7167 k = 0.0000 0.0000 0.3957 ( 2612 PWs) bands (ev): -1.0487 -1.0487 -1.0487 -1.0487 7.2874 7.2874 7.2874 7.2874 7.4788 7.4788 7.4788 7.4788 7.8448 7.8448 7.8448 7.8448 8.7952 8.7952 8.7952 8.7952 8.7978 8.7978 8.7978 8.7978 10.4261 10.4261 10.4261 10.4261 12.4006 12.4006 12.4006 12.4006 12.7167 12.7167 k = 0.0111 0.0064 0.3957 ( 2604 PWs) bands (ev): -1.0475 -1.0475 -1.0475 -1.0475 7.2838 7.2838 7.2838 7.2838 7.4753 7.4753 7.4753 7.4753 7.8476 7.8476 7.8476 7.8476 8.7944 8.7944 8.7944 8.7944 8.7987 8.7987 8.7987 8.7987 10.4286 10.4286 10.4286 10.4286 12.3952 12.3952 12.3952 12.3952 12.7105 12.7105 k = 0.0222 0.0128 0.3957 ( 2596 PWs) bands (ev): -1.0438 -1.0438 -1.0438 -1.0438 7.2725 7.2725 7.2725 7.2725 7.4658 7.4658 7.4658 7.4658 7.8557 7.8557 7.8557 7.8557 8.7929 8.7929 8.7929 8.7929 8.8003 8.8003 8.8003 8.8003 10.4360 10.4360 10.4360 10.4360 12.3789 12.3789 12.3789 12.3789 12.6925 12.6925 k = 0.0333 0.0192 0.3957 ( 2592 PWs) bands (ev): -1.0377 -1.0377 -1.0377 -1.0377 7.2525 7.2525 7.2525 7.2525 7.4528 7.4528 7.4528 7.4528 7.8677 7.8677 7.8677 7.8677 8.7910 8.7910 8.7910 8.7910 8.8023 8.8023 8.8023 8.8023 10.4482 10.4482 10.4482 10.4482 12.3518 12.3518 12.3518 12.3518 12.6640 12.6640 k = 0.0444 0.0257 0.3957 ( 2594 PWs) bands (ev): -1.0291 -1.0291 -1.0291 -1.0291 7.2228 7.2228 7.2228 7.2228 7.4388 7.4388 7.4388 7.4388 7.8820 7.8820 7.8820 7.8820 8.7888 8.7888 8.7888 8.7888 8.8045 8.8045 8.8045 8.8045 10.4646 10.4646 10.4646 10.4646 12.3138 12.3138 12.3138 12.3138 12.6267 12.6267 k = 0.0556 0.0321 0.3957 ( 2598 PWs) bands (ev): -1.0182 -1.0182 -1.0182 -1.0182 7.1831 7.1831 7.1831 7.1831 7.4258 7.4258 7.4258 7.4258 7.8974 7.8974 7.8974 7.8974 8.7862 8.7862 8.7862 8.7862 8.8072 8.8072 8.8072 8.8072 10.4848 10.4848 10.4848 10.4848 12.2652 12.2652 12.2652 12.2652 12.5827 12.5827 k = 0.0667 0.0385 0.3957 ( 2598 PWs) bands (ev): -1.0048 -1.0048 -1.0048 -1.0048 7.1340 7.1340 7.1340 7.1340 7.4146 7.4146 7.4146 7.4146 7.9131 7.9131 7.9131 7.9131 8.7833 8.7833 8.7833 8.7833 8.8103 8.8103 8.8103 8.8103 10.5082 10.5082 10.5082 10.5082 12.2068 12.2068 12.2068 12.2068 12.5341 12.5341 k = 0.0778 0.0449 0.3957 ( 2606 PWs) bands (ev): -0.9891 -0.9891 -0.9891 -0.9891 7.0766 7.0766 7.0766 7.0766 7.4048 7.4048 7.4048 7.4048 7.9284 7.9284 7.9284 7.9284 8.7799 8.7799 8.7799 8.7799 8.8138 8.8138 8.8138 8.8138 10.5340 10.5340 10.5340 10.5340 12.1399 12.1399 12.1399 12.1399 12.4823 12.4823 k = 0.0889 0.0513 0.3957 ( 2606 PWs) bands (ev): -0.9710 -0.9710 -0.9710 -0.9710 7.0122 7.0122 7.0122 7.0122 7.3963 7.3963 7.3963 7.3963 7.9429 7.9429 7.9429 7.9429 8.7762 8.7762 8.7762 8.7762 8.8179 8.8179 8.8179 8.8179 10.5611 10.5611 10.5611 10.5611 12.0661 12.0661 12.0661 12.0661 12.4286 12.4286 k = 0.1000 0.0577 0.3957 ( 2604 PWs) bands (ev): -0.9505 -0.9505 -0.9505 -0.9505 6.9419 6.9419 6.9419 6.9419 7.3885 7.3885 7.3885 7.3885 7.9565 7.9565 7.9565 7.9565 8.7721 8.7721 8.7721 8.7721 8.8224 8.8224 8.8224 8.8224 10.5884 10.5884 10.5884 10.5884 11.9879 11.9879 11.9879 11.9879 12.3734 12.3734 k = 0.1111 0.0642 0.3957 ( 2598 PWs) bands (ev): -0.9278 -0.9278 -0.9278 -0.9278 6.8666 6.8666 6.8666 6.8666 7.3811 7.3811 7.3811 7.3811 7.9690 7.9690 7.9690 7.9690 8.7676 8.7676 8.7676 8.7676 8.8275 8.8275 8.8275 8.8275 10.6144 10.6144 10.6144 10.6144 11.9078 11.9078 11.9078 11.9078 12.3173 12.3173 k = 0.1222 0.0706 0.3957 ( 2602 PWs) bands (ev): -0.9028 -0.9028 -0.9028 -0.9028 6.7868 6.7868 6.7868 6.7868 7.3738 7.3738 7.3738 7.3738 7.9803 7.9803 7.9803 7.9803 8.7629 8.7629 8.7629 8.7629 8.8332 8.8332 8.8332 8.8332 10.6374 10.6374 10.6374 10.6374 11.8287 11.8287 11.8287 11.8287 12.2605 12.2605 k = 0.1333 0.0770 0.3957 ( 2598 PWs) bands (ev): -0.8755 -0.8755 -0.8755 -0.8755 6.7032 6.7032 6.7032 6.7032 7.3666 7.3666 7.3666 7.3666 7.9904 7.9904 7.9904 7.9904 8.7579 8.7579 8.7579 8.7579 8.8394 8.8394 8.8394 8.8394 10.6551 10.6551 10.6551 10.6551 11.7536 11.7536 11.7536 11.7536 12.2033 12.2033 k = 0.1444 0.0834 0.3957 ( 2598 PWs) bands (ev): -0.8461 -0.8461 -0.8461 -0.8461 6.6163 6.6163 6.6163 6.6163 7.3593 7.3593 7.3593 7.3593 7.9994 7.9994 7.9994 7.9994 8.7527 8.7527 8.7527 8.7527 8.8463 8.8463 8.8463 8.8463 10.6650 10.6650 10.6650 10.6650 11.6857 11.6857 11.6857 11.6857 12.1460 12.1460 k = 0.1556 0.0898 0.3957 ( 2602 PWs) bands (ev): -0.8146 -0.8146 -0.8146 -0.8146 6.5265 6.5265 6.5265 6.5265 7.3518 7.3518 7.3518 7.3518 8.0073 8.0073 8.0073 8.0073 8.7473 8.7473 8.7473 8.7473 8.8537 8.8537 8.8537 8.8537 10.6646 10.6646 10.6646 10.6646 11.6282 11.6282 11.6282 11.6282 12.0888 12.0888 k = 0.1667 0.0962 0.3957 ( 2604 PWs) bands (ev): -0.7810 -0.7810 -0.7810 -0.7810 6.4341 6.4341 6.4341 6.4341 7.3442 7.3442 7.3442 7.3442 8.0140 8.0140 8.0140 8.0140 8.7419 8.7419 8.7419 8.7419 8.8616 8.8616 8.8616 8.8616 10.6514 10.6514 10.6514 10.6514 11.5837 11.5837 11.5837 11.5837 12.0322 12.0322 k = 0.1778 0.1026 0.3957 ( 2604 PWs) bands (ev): -0.7454 -0.7454 -0.7454 -0.7454 6.3396 6.3396 6.3396 6.3396 7.3364 7.3364 7.3364 7.3364 8.0196 8.0196 8.0196 8.0196 8.7367 8.7367 8.7367 8.7367 8.8701 8.8701 8.8701 8.8701 10.6243 10.6243 10.6243 10.6243 11.5535 11.5535 11.5535 11.5535 11.9768 11.9768 k = 0.1889 0.1091 0.3957 ( 2602 PWs) bands (ev): -0.7079 -0.7079 -0.7079 -0.7079 6.2432 6.2432 6.2432 6.2432 7.3283 7.3283 7.3283 7.3283 8.0240 8.0240 8.0240 8.0240 8.7316 8.7316 8.7316 8.7316 8.8792 8.8792 8.8792 8.8792 10.5835 10.5835 10.5835 10.5835 11.5370 11.5370 11.5370 11.5370 11.9233 11.9233 k = 0.2000 0.1155 0.3957 ( 2594 PWs) bands (ev): -0.6685 -0.6685 -0.6685 -0.6685 6.1452 6.1452 6.1452 6.1452 7.3202 7.3202 7.3202 7.3202 8.0273 8.0273 8.0273 8.0273 8.7267 8.7267 8.7267 8.7267 8.8889 8.8889 8.8889 8.8889 10.5309 10.5309 10.5309 10.5309 11.5316 11.5316 11.5316 11.5316 11.8728 11.8728 k = 0.2111 0.1219 0.3957 ( 2590 PWs) bands (ev): -0.6274 -0.6274 -0.6274 -0.6274 6.0459 6.0459 6.0459 6.0459 7.3119 7.3119 7.3119 7.3119 8.0295 8.0295 8.0295 8.0295 8.7223 8.7223 8.7223 8.7223 8.8991 8.8991 8.8991 8.8991 10.4690 10.4690 10.4690 10.4690 11.5330 11.5330 11.5330 11.5330 11.8275 11.8275 k = 0.2222 0.1283 0.3957 ( 2594 PWs) bands (ev): -0.5846 -0.5846 -0.5846 -0.5846 5.9456 5.9456 5.9456 5.9456 7.3033 7.3033 7.3033 7.3033 8.0303 8.0303 8.0303 8.0303 8.7183 8.7183 8.7183 8.7183 8.9098 8.9098 8.9098 8.9098 10.4006 10.4006 10.4006 10.4006 11.5351 11.5351 11.5351 11.5351 11.7908 11.7908 k = 0.2333 0.1347 0.3957 ( 2602 PWs) bands (ev): -0.5403 -0.5403 -0.5403 -0.5403 5.8446 5.8446 5.8446 5.8446 7.2946 7.2946 7.2946 7.2946 8.0300 8.0300 8.0300 8.0300 8.7149 8.7149 8.7149 8.7149 8.9210 8.9210 8.9210 8.9210 10.3280 10.3280 10.3280 10.3280 11.5305 11.5305 11.5305 11.5305 11.7680 11.7680 k = 0.2444 0.1411 0.3957 ( 2600 PWs) bands (ev): -0.4946 -0.4946 -0.4946 -0.4946 5.7432 5.7432 5.7432 5.7432 7.2859 7.2859 7.2859 7.2859 8.0285 8.0285 8.0285 8.0285 8.7124 8.7124 8.7124 8.7124 8.9327 8.9327 8.9327 8.9327 10.2533 10.2533 10.2533 10.2533 11.5133 11.5133 11.5133 11.5133 11.7631 11.7631 k = 0.2556 0.1475 0.3957 ( 2604 PWs) bands (ev): -0.4475 -0.4475 -0.4475 -0.4475 5.6416 5.6416 5.6416 5.6416 7.2771 7.2771 7.2771 7.2771 8.0257 8.0257 8.0257 8.0257 8.7107 8.7107 8.7107 8.7107 8.9448 8.9448 8.9448 8.9448 10.1779 10.1779 10.1779 10.1779 11.4838 11.4838 11.4838 11.4838 11.7745 11.7745 k = 0.2667 0.1540 0.3957 ( 2608 PWs) bands (ev): -0.3994 -0.3994 -0.3994 -0.3994 5.5402 5.5402 5.5402 5.5402 7.2683 7.2683 7.2683 7.2683 8.0217 8.0217 8.0217 8.0217 8.7099 8.7099 8.7099 8.7099 8.9572 8.9572 8.9572 8.9572 10.1031 10.1031 10.1031 10.1031 11.4461 11.4461 11.4461 11.4461 11.7970 11.7970 k = 0.2778 0.1604 0.3957 ( 2604 PWs) bands (ev): -0.3502 -0.3502 -0.3502 -0.3502 5.4393 5.4393 5.4393 5.4393 7.2596 7.2596 7.2596 7.2596 8.0166 8.0166 8.0166 8.0166 8.7103 8.7103 8.7103 8.7103 8.9701 8.9701 8.9701 8.9701 10.0295 10.0295 10.0295 10.0295 11.4041 11.4041 11.4041 11.4041 11.8258 11.8258 k = 0.2889 0.1668 0.3957 ( 2604 PWs) bands (ev): -0.3003 -0.3003 -0.3003 -0.3003 5.3391 5.3391 5.3391 5.3391 7.2509 7.2509 7.2509 7.2509 8.0103 8.0103 8.0103 8.0103 8.7117 8.7117 8.7117 8.7117 8.9832 8.9832 8.9832 8.9832 9.9578 9.9578 9.9578 9.9578 11.3604 11.3604 11.3604 11.3604 11.8578 11.8578 k = 0.3000 0.1732 0.3957 ( 2608 PWs) bands (ev): -0.2498 -0.2498 -0.2498 -0.2498 5.2401 5.2401 5.2401 5.2401 7.2423 7.2423 7.2423 7.2423 8.0029 8.0029 8.0029 8.0029 8.7144 8.7144 8.7144 8.7144 8.9965 8.9965 8.9965 8.9965 9.8883 9.8883 9.8883 9.8883 11.3163 11.3163 11.3163 11.3163 11.8912 11.8912 k = 0.3111 0.1796 0.3957 ( 2616 PWs) bands (ev): -0.1989 -0.1989 -0.1989 -0.1989 5.1425 5.1425 5.1425 5.1425 7.2338 7.2338 7.2338 7.2338 7.9946 7.9946 7.9946 7.9946 8.7181 8.7181 8.7181 8.7181 9.0098 9.0098 9.0098 9.0098 9.8214 9.8214 9.8214 9.8214 11.2727 11.2727 11.2727 11.2727 11.9249 11.9249 k = 0.3222 0.1860 0.3957 ( 2608 PWs) bands (ev): -0.1479 -0.1479 -0.1479 -0.1479 5.0468 5.0468 5.0468 5.0468 7.2256 7.2256 7.2256 7.2256 7.9855 7.9855 7.9855 7.9855 8.7233 8.7233 8.7233 8.7233 9.0234 9.0234 9.0234 9.0234 9.7573 9.7573 9.7573 9.7573 11.2300 11.2300 11.2300 11.2300 11.9581 11.9581 k = 0.3333 0.1925 0.3957 ( 2604 PWs) bands (ev): -0.0970 -0.0970 -0.0970 -0.0970 4.9533 4.9533 4.9533 4.9533 7.2176 7.2176 7.2176 7.2176 7.9758 7.9758 7.9758 7.9758 8.7296 8.7296 8.7296 8.7296 9.0369 9.0369 9.0369 9.0369 9.6961 9.6961 9.6961 9.6961 11.1887 11.1887 11.1887 11.1887 11.9903 11.9903 k = 0.3444 0.1989 0.3957 ( 2604 PWs) bands (ev): -0.0466 -0.0466 -0.0466 -0.0466 4.8625 4.8625 4.8625 4.8625 7.2099 7.2099 7.2099 7.2099 7.9655 7.9655 7.9655 7.9655 8.7371 8.7371 8.7371 8.7371 9.0502 9.0502 9.0502 9.0502 9.6378 9.6378 9.6378 9.6378 11.1490 11.1490 11.1490 11.1490 12.0212 12.0212 k = 0.3556 0.2053 0.3957 ( 2596 PWs) bands (ev): 0.0030 0.0030 0.0030 0.0030 4.7747 4.7747 4.7747 4.7747 7.2025 7.2025 7.2025 7.2025 7.9549 7.9549 7.9549 7.9549 8.7459 8.7459 8.7459 8.7459 9.0634 9.0634 9.0634 9.0634 9.5826 9.5826 9.5826 9.5826 11.1111 11.1111 11.1111 11.1111 12.0504 12.0504 k = 0.3667 0.2117 0.3957 ( 2600 PWs) bands (ev): 0.0514 0.0514 0.0514 0.0514 4.6905 4.6905 4.6905 4.6905 7.1955 7.1955 7.1955 7.1955 7.9441 7.9441 7.9441 7.9441 8.7557 8.7557 8.7557 8.7557 9.0761 9.0761 9.0761 9.0761 9.5303 9.5303 9.5303 9.5303 11.0751 11.0751 11.0751 11.0751 12.0777 12.0777 k = 0.3778 0.2181 0.3957 ( 2600 PWs) bands (ev): 0.0984 0.0984 0.0984 0.0984 4.6103 4.6103 4.6103 4.6103 7.1889 7.1889 7.1889 7.1889 7.9334 7.9334 7.9334 7.9334 8.7666 8.7666 8.7666 8.7666 9.0884 9.0884 9.0884 9.0884 9.4810 9.4810 9.4810 9.4810 11.0414 11.0414 11.0414 11.0414 12.1031 12.1031 k = 0.3889 0.2245 0.3957 ( 2602 PWs) bands (ev): 0.1435 0.1435 0.1435 0.1435 4.5345 4.5345 4.5345 4.5345 7.1827 7.1827 7.1827 7.1827 7.9228 7.9228 7.9228 7.9228 8.7784 8.7784 8.7784 8.7784 9.1001 9.1001 9.1001 9.1001 9.4347 9.4347 9.4347 9.4347 11.0099 11.0099 11.0099 11.0099 12.1264 12.1264 k = 0.4000 0.2309 0.3957 ( 2606 PWs) bands (ev): 0.1862 0.1862 0.1862 0.1862 4.4638 4.4638 4.4638 4.4638 7.1770 7.1770 7.1770 7.1770 7.9127 7.9127 7.9127 7.9127 8.7911 8.7911 8.7911 8.7911 9.1110 9.1110 9.1110 9.1110 9.3914 9.3914 9.3914 9.3914 10.9809 10.9809 10.9809 10.9809 12.1476 12.1476 k = 0.4111 0.2374 0.3957 ( 2606 PWs) bands (ev): 0.2261 0.2261 0.2261 0.2261 4.3986 4.3986 4.3986 4.3986 7.1718 7.1718 7.1718 7.1718 7.9032 7.9032 7.9032 7.9032 8.8045 8.8045 8.8045 8.8045 9.1211 9.1211 9.1211 9.1211 9.3512 9.3512 9.3512 9.3512 10.9546 10.9546 10.9546 10.9546 12.1666 12.1666 k = 0.4222 0.2438 0.3957 ( 2606 PWs) bands (ev): 0.2627 0.2627 0.2627 0.2627 4.3395 4.3395 4.3395 4.3395 7.1671 7.1671 7.1671 7.1671 7.8943 7.8943 7.8943 7.8943 8.8183 8.8183 8.8183 8.8183 9.1300 9.1300 9.1300 9.1300 9.3143 9.3143 9.3143 9.3143 10.9309 10.9309 10.9309 10.9309 12.1833 12.1833 k = 0.4333 0.2502 0.3957 ( 2594 PWs) bands (ev): 0.2957 0.2957 0.2957 0.2957 4.2870 4.2870 4.2870 4.2870 7.1631 7.1631 7.1631 7.1631 7.8864 7.8864 7.8864 7.8864 8.8325 8.8325 8.8325 8.8325 9.1377 9.1377 9.1377 9.1377 9.2810 9.2810 9.2810 9.2810 10.9102 10.9102 10.9102 10.9102 12.1978 12.1978 k = 0.4444 0.2566 0.3957 ( 2594 PWs) bands (ev): 0.3245 0.3245 0.3245 0.3245 4.2415 4.2415 4.2415 4.2415 7.1596 7.1596 7.1596 7.1596 7.8795 7.8795 7.8795 7.8795 8.8464 8.8464 8.8464 8.8464 9.1436 9.1436 9.1436 9.1436 9.2517 9.2517 9.2517 9.2517 10.8924 10.8924 10.8924 10.8924 12.2101 12.2101 k = 0.4556 0.2630 0.3957 ( 2598 PWs) bands (ev): 0.3487 0.3487 0.3487 0.3487 4.2036 4.2036 4.2036 4.2036 7.1567 7.1567 7.1567 7.1567 7.8736 7.8736 7.8736 7.8736 8.8596 8.8596 8.8596 8.8596 9.1472 9.1472 9.1472 9.1472 9.2273 9.2273 9.2273 9.2273 10.8776 10.8776 10.8776 10.8776 12.2201 12.2201 k = 0.4667 0.2694 0.3957 ( 2606 PWs) bands (ev): 0.3679 0.3679 0.3679 0.3679 4.1736 4.1736 4.1736 4.1736 7.1544 7.1544 7.1544 7.1544 7.8689 7.8689 7.8689 7.8689 8.8715 8.8715 8.8715 8.8715 9.1479 9.1479 9.1479 9.1479 9.2090 9.2090 9.2090 9.2090 10.8661 10.8661 10.8661 10.8661 12.2278 12.2278 k = 0.4778 0.2758 0.3957 ( 2600 PWs) bands (ev): 0.3819 0.3819 0.3819 0.3819 4.1519 4.1519 4.1519 4.1519 7.1528 7.1528 7.1528 7.1528 7.8655 7.8655 7.8655 7.8655 8.8812 8.8812 8.8812 8.8812 9.1456 9.1456 9.1456 9.1456 9.1979 9.1979 9.1979 9.1979 10.8578 10.8578 10.8578 10.8578 12.2334 12.2334 k = 0.4889 0.2823 0.3957 ( 2596 PWs) bands (ev): 0.3904 0.3904 0.3904 0.3904 4.1388 4.1388 4.1388 4.1388 7.1518 7.1518 7.1518 7.1518 7.8635 7.8635 7.8635 7.8635 8.8876 8.8876 8.8876 8.8876 9.1421 9.1421 9.1421 9.1421 9.1927 9.1927 9.1927 9.1927 10.8528 10.8528 10.8528 10.8528 12.2367 12.2367 k = 0.5000 0.2887 0.3957 ( 2592 PWs) bands (ev): 0.3933 0.3933 0.3933 0.3933 4.1344 4.1344 4.1344 4.1344 7.1515 7.1515 7.1515 7.1515 7.8629 7.8629 7.8629 7.8629 8.8898 8.8898 8.8898 8.8898 9.1406 9.1406 9.1406 9.1406 9.1913 9.1913 9.1913 9.1913 10.8511 10.8511 10.8511 10.8512 12.2378 12.2378 k = 0.5000 0.2887 0.3957 ( 2592 PWs) bands (ev): 0.3933 0.3933 0.3933 0.3933 4.1344 4.1344 4.1344 4.1344 7.1515 7.1515 7.1515 7.1515 7.8629 7.8629 7.8629 7.8629 8.8898 8.8898 8.8898 8.8898 9.1406 9.1406 9.1406 9.1406 9.1913 9.1913 9.1913 9.1913 10.8511 10.8511 10.8511 10.8512 12.2378 12.2378 k = 0.4936 0.2998 0.3957 ( 2592 PWs) bands (ev): 0.3937 0.3937 0.3941 0.3941 4.1353 4.1353 4.1364 4.1364 7.1385 7.1385 7.1519 7.1519 7.8598 7.8598 7.8694 7.8694 8.8868 8.8868 8.8912 8.8912 9.1300 9.1300 9.1510 9.1510 9.1842 9.1842 9.2003 9.2003 10.8385 10.8385 10.8433 10.8433 12.2460 12.2460 k = 0.4872 0.3109 0.3957 ( 2588 PWs) bands (ev): 0.3953 0.3953 0.3961 0.3961 4.1389 4.1389 4.1411 4.1411 7.1136 7.1136 7.1397 7.1397 7.8602 7.8602 7.8790 7.8790 8.8824 8.8824 8.8908 8.8908 9.1200 9.1200 9.1580 9.1580 9.1821 9.1821 9.2104 9.2104 10.8073 10.8073 10.8160 10.8160 12.2852 12.2852 k = 0.4808 0.3220 0.3957 ( 2592 PWs) bands (ev): 0.3981 0.3981 0.3993 0.3993 4.1452 4.1452 4.1486 4.1486 7.0776 7.0776 7.1152 7.1152 7.8639 7.8639 7.8906 7.8906 8.8767 8.8767 8.8887 8.8887 9.1107 9.1107 9.1563 9.1563 9.1900 9.1900 9.2216 9.2216 10.7616 10.7616 10.7728 10.7728 12.3515 12.3515 k = 0.4744 0.3331 0.3957 ( 2594 PWs) bands (ev): 0.4020 0.4020 0.4036 0.4036 4.1542 4.1542 4.1589 4.1589 7.0315 7.0315 7.0793 7.0793 7.8704 7.8704 7.9035 7.9035 8.8700 8.8700 8.8850 8.8850 9.1020 9.1020 9.1499 9.1499 9.2037 9.2037 9.2339 9.2339 10.7061 10.7061 10.7184 10.7184 12.4397 12.4397 k = 0.4679 0.3442 0.3957 ( 2598 PWs) bands (ev): 0.4071 0.4071 0.4091 0.4091 4.1660 4.1660 4.1720 4.1720 6.9765 6.9765 7.0329 7.0329 7.8788 7.8788 7.9171 7.9171 8.8624 8.8624 8.8798 8.8798 9.0939 9.0939 9.1423 9.1423 9.2198 9.2198 9.2474 9.2474 10.6449 10.6449 10.6571 10.6571 12.5448 12.5448 k = 0.4615 0.3553 0.3957 ( 2602 PWs) bands (ev): 0.4133 0.4133 0.4156 0.4156 4.1804 4.1804 4.1878 4.1878 6.9134 6.9134 6.9774 6.9774 7.8884 7.8884 7.9308 7.9308 8.8542 8.8542 8.8733 8.8733 9.0862 9.0862 9.1342 9.1342 9.2373 9.2373 9.2620 9.2620 10.5811 10.5811 10.5924 10.5924 12.6623 12.6623 k = 0.4551 0.3664 0.3957 ( 2598 PWs) bands (ev): 0.4205 0.4205 0.4232 0.4232 4.1974 4.1974 4.2064 4.2064 6.8434 6.8434 6.9139 6.9139 7.8987 7.8987 7.9442 7.9442 8.8457 8.8457 8.8658 8.8658 9.0787 9.0787 9.1258 9.1258 9.2559 9.2559 9.2779 9.2779 10.5170 10.5170 10.5269 10.5269 12.7888 12.7888 k = 0.4487 0.3775 0.3957 ( 2598 PWs) bands (ev): 0.4286 0.4286 0.4318 0.4318 4.2169 4.2169 4.2276 4.2276 6.7673 6.7673 6.8434 6.8434 7.9090 7.9090 7.9568 7.9568 8.8369 8.8369 8.8575 8.8575 9.0714 9.0714 9.1172 9.1172 9.2755 9.2755 9.2948 9.2948 10.4542 10.4542 10.4624 10.4624 12.9210 12.9210 k = 0.4423 0.3886 0.3957 ( 2598 PWs) bands (ev): 0.4377 0.4377 0.4412 0.4412 4.2389 4.2389 4.2515 4.2515 6.6858 6.6858 6.7671 6.7671 7.9190 7.9190 7.9686 7.9686 8.8280 8.8280 8.8487 8.8487 9.0640 9.0640 9.1085 9.1085 9.2959 9.2959 9.3128 9.3128 10.3937 10.3937 10.3999 10.3999 13.0565 13.0565 k = 0.4359 0.3997 0.3957 ( 2598 PWs) bands (ev): 0.4476 0.4476 0.4515 0.4515 4.2633 4.2633 4.2781 4.2781 6.5999 6.5999 6.6859 6.6859 7.9284 7.9284 7.9793 7.9793 8.8192 8.8192 8.8396 8.8396 9.0567 9.0567 9.0997 9.0997 9.3171 9.3171 9.3318 9.3318 10.3360 10.3360 10.3403 10.3403 13.1930 13.1930 k = 0.4295 0.4108 0.3957 ( 2594 PWs) bands (ev): 0.4583 0.4583 0.4625 0.4625 4.2900 4.2900 4.3072 4.3072 6.5103 6.5103 6.6008 6.6008 7.9371 7.9371 7.9891 7.9891 8.8107 8.8107 8.8305 8.8305 9.0494 9.0494 9.0909 9.0909 9.3390 9.3390 9.3517 9.3517 10.2814 10.2814 10.2837 10.2837 13.3284 13.3284 k = 0.4231 0.4219 0.3957 ( 2598 PWs) bands (ev): 0.4695 0.4695 0.4741 0.4741 4.3188 4.3188 4.3388 4.3388 6.4178 6.4178 6.5127 6.5127 7.9450 7.9450 7.9977 7.9977 8.8025 8.8025 8.8216 8.8216 9.0420 9.0420 9.0821 9.0821 9.3615 9.3615 9.3723 9.3723 10.2300 10.2300 10.2303 10.2303 13.4611 13.4611 k = 0.4167 0.4330 0.3957 ( 2598 PWs) bands (ev): 0.4813 0.4813 0.4862 0.4862 4.3496 4.3496 4.3728 4.3728 6.3232 6.3232 6.4226 6.4226 7.9520 7.9520 8.0053 8.0053 8.7946 8.7946 8.8129 8.8129 9.0347 9.0347 9.0733 9.0733 9.3846 9.3846 9.3937 9.3937 10.1802 10.1802 10.1818 10.1818 13.5891 13.5891 k = 0.4103 0.4441 0.3957 ( 2600 PWs) bands (ev): 0.4935 0.4935 0.4987 0.4987 4.3823 4.3823 4.4091 4.4091 6.2273 6.2273 6.3314 6.3314 7.9582 7.9582 8.0120 8.0120 8.7873 8.7873 8.8047 8.8047 9.0273 9.0273 9.0646 9.0646 9.4081 9.4081 9.4156 9.4156 10.1331 10.1331 10.1366 10.1366 13.7111 13.7111 k = 0.4038 0.4552 0.3957 ( 2608 PWs) bands (ev): 0.5058 0.5058 0.5114 0.5114 4.4164 4.4164 4.4475 4.4475 6.1308 6.1308 6.2401 6.2401 7.9634 7.9634 8.0177 8.0177 8.7806 8.7806 8.7970 8.7970 9.0200 9.0200 9.0561 9.0561 9.4321 9.4321 9.4381 9.4381 10.0888 10.0888 10.0942 10.0942 13.8257 13.8257 k = 0.3974 0.4663 0.3957 ( 2608 PWs) bands (ev): 0.5182 0.5182 0.5241 0.5241 4.4518 4.4518 4.4880 4.4880 6.0346 6.0346 6.1496 6.1496 7.9679 7.9679 8.0225 8.0225 8.7746 8.7746 8.7900 8.7900 9.0129 9.0129 9.0479 9.0479 9.4566 9.4566 9.4611 9.4611 10.0473 10.0473 10.0544 10.0544 13.9317 13.9317 k = 0.3910 0.4774 0.3957 ( 2612 PWs) bands (ev): 0.5305 0.5305 0.5366 0.5366 4.4881 4.4881 4.5302 4.5302 5.9395 5.9395 6.0610 6.0610 7.9716 7.9716 8.0265 8.0265 8.7692 8.7692 8.7837 8.7837 9.0060 9.0060 9.0399 9.0399 9.4815 9.4815 9.4844 9.4844 10.0080 10.0080 10.0171 10.0171 14.0284 14.0284 k = 0.3846 0.4885 0.3957 ( 2620 PWs) bands (ev): 0.5425 0.5425 0.5489 0.5489 4.5247 4.5247 4.5738 4.5738 5.8464 5.8464 5.9754 5.9754 7.9746 7.9746 8.0297 8.0297 8.7645 8.7645 8.7782 8.7782 8.9993 8.9993 9.0324 9.0324 9.5066 9.5066 9.5078 9.5078 9.9709 9.9709 9.9819 9.9819 14.1151 14.1151 k = 0.3782 0.4996 0.3957 ( 2620 PWs) bands (ev): 0.5540 0.5540 0.5606 0.5606 4.5610 4.5610 4.6185 4.6185 5.7564 5.7564 5.8940 5.8940 7.9770 7.9770 8.0324 8.0324 8.7606 8.7606 8.7736 8.7736 8.9930 8.9930 9.0254 9.0254 9.5314 9.5314 9.5321 9.5321 9.9357 9.9357 9.9488 9.9488 14.1915 14.1915 k = 0.3718 0.5107 0.3957 ( 2620 PWs) bands (ev): 0.5648 0.5648 0.5716 0.5716 4.5962 4.5962 4.6635 4.6635 5.6706 5.6706 5.8183 5.8183 7.9789 7.9789 8.0344 8.0344 8.7574 8.7574 8.7697 8.7697 8.9872 8.9872 9.0189 9.0189 9.5550 9.5550 9.5579 9.5579 9.9022 9.9022 9.9176 9.9176 14.2574 14.2574 k = 0.3654 0.5218 0.3957 ( 2616 PWs) bands (ev): 0.5746 0.5746 0.5816 0.5816 4.6293 4.6293 4.7080 4.7080 5.5903 5.5903 5.7496 5.7496 7.9803 7.9803 8.0360 8.0360 8.7549 8.7549 8.7667 8.7667 8.9819 8.9819 9.0130 9.0130 9.5783 9.5783 9.5839 9.5839 9.8701 9.8701 9.8884 9.8884 14.3127 14.3127 k = 0.3590 0.5329 0.3957 ( 2608 PWs) bands (ev): 0.5832 0.5832 0.5903 0.5903 4.6590 4.6590 4.7506 4.7506 5.5176 5.5176 5.6899 5.6899 7.9813 7.9813 8.0372 8.0372 8.7531 8.7531 8.7645 8.7645 8.9773 8.9773 9.0080 9.0080 9.6009 9.6009 9.6100 9.6100 9.8395 9.8395 9.8613 9.8613 14.3576 14.3576 k = 0.3526 0.5440 0.3957 ( 2600 PWs) bands (ev): 0.5903 0.5903 0.5976 0.5976 4.6840 4.6840 4.7891 4.7891 5.4548 5.4548 5.6409 5.6409 7.9820 7.9820 8.0380 8.0380 8.7519 8.7519 8.7629 8.7629 8.9734 8.9734 9.0039 9.0039 9.6221 9.6221 9.6360 9.6360 9.8102 9.8102 9.8369 9.8369 14.3922 14.3922 k = 0.3462 0.5551 0.3957 ( 2600 PWs) bands (ev): 0.5957 0.5957 0.6031 0.6031 4.7027 4.7027 4.8207 4.8207 5.4056 5.4056 5.6045 5.6045 7.9824 7.9824 8.0385 8.0385 8.7511 8.7511 8.7619 8.7619 8.9705 8.9705 9.0007 9.0007 9.6405 9.6405 9.6615 9.6615 9.7824 9.7824 9.8163 9.8163 14.4166 14.4166 k = 0.3397 0.5662 0.3957 ( 2600 PWs) bands (ev): 0.5992 0.5992 0.6066 0.6066 4.7141 4.7141 4.8416 4.8416 5.3738 5.3738 5.5822 5.5822 7.9826 7.9826 8.0387 8.0387 8.7506 8.7506 8.7614 8.7614 8.9686 8.9686 8.9987 8.9987 9.6539 9.6539 9.6848 9.6848 9.7578 9.7578 9.8017 9.8017 14.4311 14.4311 k = 0.3333 0.5774 0.3957 ( 2604 PWs) bands (ev): 0.6004 0.6004 0.6078 0.6078 4.7178 4.7178 4.8488 4.8488 5.3628 5.3628 5.5748 5.5748 7.9826 7.9826 8.0388 8.0388 8.7505 8.7505 8.7612 8.7612 8.9679 8.9679 8.9980 8.9980 9.6589 9.6589 9.6972 9.6972 9.7449 9.7449 9.7962 9.7962 14.4359 14.4359 k = 0.3333 0.5774 0.3957 ( 2604 PWs) bands (ev): 0.6004 0.6004 0.6078 0.6078 4.7178 4.7178 4.8488 4.8488 5.3628 5.3628 5.5748 5.5748 7.9826 7.9826 8.0388 8.0388 8.7505 8.7505 8.7612 8.7612 8.9679 8.9679 8.9980 8.9980 9.6589 9.6589 9.6972 9.6972 9.7449 9.7449 9.7962 9.7962 14.4359 14.4359 k = 0.3269 0.5662 0.3957 ( 2604 PWs) bands (ev): 0.5991 0.5991 0.6065 0.6065 4.7145 4.7145 4.8421 4.8421 5.3733 5.3733 5.5820 5.5820 7.9826 7.9826 8.0387 8.0387 8.7506 8.7506 8.7613 8.7613 8.9686 8.9686 8.9987 8.9987 9.6539 9.6539 9.6849 9.6849 9.7577 9.7577 9.8016 9.8016 14.4312 14.4312 k = 0.3205 0.5551 0.3957 ( 2600 PWs) bands (ev): 0.5951 0.5951 0.6024 0.6024 4.7054 4.7054 4.8247 4.8247 5.4023 5.4023 5.6025 5.6025 7.9825 7.9825 8.0386 8.0386 8.7507 8.7507 8.7615 8.7615 8.9709 8.9709 9.0011 9.0011 9.6408 9.6408 9.6621 9.6621 9.7816 9.7816 9.8158 9.8158 14.4174 14.4174 k = 0.3141 0.5440 0.3957 ( 2596 PWs) bands (ev): 0.5882 0.5882 0.5954 0.5954 4.6928 4.6928 4.8013 4.8013 5.4453 5.4453 5.6346 5.6346 7.9826 7.9826 8.0385 8.0385 8.7508 8.7508 8.7617 8.7617 8.9750 8.9750 9.0053 9.0053 9.6230 9.6230 9.6374 9.6374 9.8082 9.8082 9.8356 9.8356 14.3948 14.3948 k = 0.3077 0.5329 0.3957 ( 2604 PWs) bands (ev): 0.5781 0.5781 0.5853 0.5853 4.6787 4.6787 4.7761 4.7761 5.4982 5.4982 5.6763 5.6763 7.9826 7.9826 8.0384 8.0384 8.7507 8.7507 8.7617 8.7617 8.9808 8.9808 9.0113 9.0113 9.6026 9.6026 9.6124 9.6124 9.8357 9.8357 9.8585 9.8585 14.3640 14.3640 k = 0.3013 0.5218 0.3957 ( 2604 PWs) bands (ev): 0.5649 0.5649 0.5718 0.5718 4.6651 4.6651 4.7523 4.7523 5.5580 5.5580 5.7257 5.7257 7.9828 7.9828 8.0384 8.0384 8.7503 8.7503 8.7615 8.7615 8.9887 8.9887 9.0194 9.0194 9.5811 9.5811 9.5878 9.5878 9.8638 9.8638 9.8833 9.8833 14.3252 14.3252 k = 0.2949 0.5107 0.3957 ( 2608 PWs) bands (ev): 0.5482 0.5482 0.5550 0.5550 4.6536 4.6536 4.7318 4.7318 5.6228 5.6228 5.7813 5.7813 7.9832 7.9832 8.0384 8.0384 8.7496 8.7496 8.7610 8.7610 8.9985 8.9985 9.0295 9.0295 9.5593 9.5593 9.5636 9.5636 9.8923 9.8923 9.9095 9.9095 14.2792 14.2792 k = 0.2885 0.4996 0.3957 ( 2608 PWs) bands (ev): 0.5282 0.5282 0.5347 0.5347 4.6455 4.6455 4.7160 4.7160 5.6910 5.6910 5.8415 5.8415 7.9838 7.9838 8.0386 8.0386 8.7487 8.7487 8.7602 8.7602 9.0102 9.0102 9.0415 9.0415 9.5377 9.5377 9.5402 9.5402 9.9212 9.9212 9.9365 9.9365 14.2265 14.2265 k = 0.2821 0.4885 0.3957 ( 2600 PWs) bands (ev): 0.5047 0.5047 0.5110 0.5110 4.6418 4.6418 4.7057 4.7057 5.7619 5.7619 5.9055 5.9055 7.9846 7.9846 8.0390 8.0390 8.7474 8.7474 8.7592 8.7592 9.0237 9.0237 9.0555 9.0555 9.5169 9.5169 9.5179 9.5179 9.9504 9.9504 9.9644 9.9644 14.1677 14.1677 k = 0.2756 0.4774 0.3957 ( 2600 PWs) bands (ev): 0.4779 0.4779 0.4839 0.4839 4.6430 4.6430 4.7015 4.7015 5.8345 5.8345 5.9723 5.9723 7.9857 7.9857 8.0395 8.0395 8.7459 8.7459 8.7579 8.7579 9.0387 9.0387 9.0710 9.0710 9.4970 9.4970 9.4971 9.4971 9.9800 9.9800 9.9928 9.9928 14.1034 14.1034 k = 0.2692 0.4663 0.3957 ( 2596 PWs) bands (ev): 0.4478 0.4478 0.4534 0.4534 4.6496 4.6496 4.7035 4.7035 5.9085 5.9085 6.0412 6.0412 7.9870 7.9870 8.0401 8.0401 8.7440 8.7440 8.7565 8.7565 9.0548 9.0548 9.0877 9.0877 9.4781 9.4781 9.4791 9.4791 10.0099 10.0099 10.0218 10.0218 14.0343 14.0343 k = 0.2628 0.4552 0.3957 ( 2586 PWs) bands (ev): 0.4145 0.4145 0.4198 0.4198 4.6620 4.6620 4.7121 4.7121 5.9833 5.9833 6.1115 6.1115 7.9887 7.9887 8.0410 8.0410 8.7421 8.7421 8.7549 8.7549 9.0715 9.0715 9.1049 9.1049 9.4622 9.4622 9.4638 9.4638 10.0402 10.0402 10.0513 10.0513 13.9609 13.9609 k = 0.2564 0.4441 0.3957 ( 2588 PWs) bands (ev): 0.3782 0.3782 0.3832 0.3832 4.6803 4.6803 4.7271 4.7271 6.0584 6.0584 6.1826 6.1826 7.9906 7.9906 8.0420 8.0420 8.7398 8.7398 8.7533 8.7533 9.0876 9.0876 9.1215 9.1215 9.4504 9.4504 9.4520 9.4520 10.0708 10.0708 10.0812 10.0812 13.8838 13.8838 k = 0.2500 0.4330 0.3957 ( 2592 PWs) bands (ev): 0.3392 0.3392 0.3439 0.3439 4.7044 4.7044 4.7485 4.7485 6.1335 6.1335 6.2541 6.2541 7.9927 7.9927 8.0430 8.0430 8.7375 8.7375 8.7516 8.7516 9.1018 9.1018 9.1358 9.1358 9.4444 9.4444 9.4454 9.4454 10.1018 10.1018 10.1117 10.1117 13.8037 13.8037 k = 0.2436 0.4219 0.3957 ( 2586 PWs) bands (ev): 0.2976 0.2976 0.3020 0.3020 4.7344 4.7344 4.7761 4.7761 6.2082 6.2082 6.3255 6.3255 7.9952 7.9952 8.0443 8.0443 8.7352 8.7352 8.7500 8.7500 9.1130 9.1130 9.1462 9.1462 9.4457 9.4457 9.4463 9.4463 10.1333 10.1333 10.1427 10.1427 13.7209 13.7209 k = 0.2372 0.4108 0.3957 ( 2586 PWs) bands (ev): 0.2537 0.2537 0.2578 0.2578 4.7700 4.7700 4.8098 4.8098 6.2822 6.2822 6.3964 6.3964 7.9979 7.9979 8.0457 8.0457 8.7329 8.7329 8.7485 8.7485 9.1195 9.1195 9.1511 9.1511 9.4544 9.4544 9.4579 9.4579 10.1652 10.1652 10.1741 10.1741 13.6361 13.6361 k = 0.2308 0.3997 0.3957 ( 2582 PWs) bands (ev): 0.2079 0.2079 0.2116 0.2116 4.8111 4.8111 4.8492 4.8492 6.3552 6.3552 6.4662 6.4662 8.0009 8.0009 8.0471 8.0471 8.7306 8.7306 8.7472 8.7472 9.1206 9.1206 9.1500 9.1500 9.4726 9.4726 9.4799 9.4799 10.1975 10.1975 10.2060 10.2060 13.5496 13.5496 k = 0.2244 0.3886 0.3957 ( 2586 PWs) bands (ev): 0.1603 0.1603 0.1638 0.1638 4.8575 4.8575 4.8941 4.8941 6.4267 6.4267 6.5347 6.5347 8.0040 8.0040 8.0486 8.0486 8.7284 8.7284 8.7460 8.7460 9.1162 9.1162 9.1432 9.1432 9.5003 9.5003 9.5120 9.5120 10.2302 10.2302 10.2383 10.2383 13.4619 13.4619 k = 0.2179 0.3775 0.3957 ( 2586 PWs) bands (ev): 0.1114 0.1114 0.1145 0.1145 4.9090 4.9090 4.9443 4.9443 6.4966 6.4966 6.6015 6.6015 8.0073 8.0073 8.0501 8.0501 8.7263 8.7263 8.7451 8.7451 9.1074 9.1074 9.1321 9.1321 9.5370 9.5370 9.5533 9.5533 10.2634 10.2634 10.2711 10.2711 13.3734 13.3734 k = 0.2115 0.3664 0.3957 ( 2590 PWs) bands (ev): 0.0612 0.0612 0.0641 0.0641 4.9652 4.9652 4.9993 4.9993 6.5644 6.5644 6.6662 6.6662 8.0107 8.0107 8.0516 8.0516 8.7242 8.7242 8.7443 8.7443 9.0951 9.0951 9.1181 9.1181 9.5819 9.5819 9.6026 9.6026 10.2971 10.2971 10.3043 10.3043 13.2845 13.2845 k = 0.2051 0.3553 0.3957 ( 2590 PWs) bands (ev): 0.0102 0.0102 0.0128 0.0128 5.0258 5.0258 5.0589 5.0589 6.6300 6.6300 6.7285 6.7285 8.0143 8.0143 8.0530 8.0530 8.7224 8.7224 8.7438 8.7438 9.0803 9.0803 9.1020 9.1020 9.6341 9.6341 9.6591 9.6591 10.3312 10.3312 10.3378 10.3378 13.1957 13.1957 k = 0.1987 0.3442 0.3957 ( 2582 PWs) bands (ev): -0.0414 -0.0414 -0.0390 -0.0390 5.0906 5.0906 5.1228 5.1228 6.6931 6.6931 6.7883 6.7883 8.0179 8.0179 8.0543 8.0543 8.7208 8.7208 8.7436 8.7436 9.0640 9.0640 9.0848 9.0848 9.6929 9.6929 9.7222 9.7222 10.3657 10.3657 10.3717 10.3717 13.1071 13.1071 k = 0.1923 0.3331 0.3957 ( 2586 PWs) bands (ev): -0.0933 -0.0933 -0.0912 -0.0912 5.1593 5.1593 5.1906 5.1906 6.7535 6.7535 6.8451 6.8451 8.0213 8.0213 8.0555 8.0555 8.7194 8.7194 8.7436 8.7436 9.0467 9.0467 9.0669 9.0669 9.7577 9.7577 9.7912 9.7912 10.4005 10.4005 10.4058 10.4058 13.0194 13.0194 k = 0.1859 0.3220 0.3957 ( 2594 PWs) bands (ev): -0.1454 -0.1454 -0.1435 -0.1435 5.2316 5.2316 5.2621 5.2621 6.8110 6.8110 6.8989 6.8989 8.0247 8.0247 8.0564 8.0564 8.7182 8.7182 8.7438 8.7438 9.0290 9.0290 9.0489 9.0489 9.8282 9.8282 9.8659 9.8659 10.4356 10.4356 10.4398 10.4398 12.9327 12.9327 k = 0.1795 0.3109 0.3957 ( 2594 PWs) bands (ev): -0.1973 -0.1973 -0.1956 -0.1956 5.3071 5.3071 5.3368 5.3368 6.8654 6.8654 6.9495 6.9495 8.0279 8.0279 8.0571 8.0571 8.7172 8.7172 8.7443 8.7443 9.0112 9.0112 9.0312 9.0312 9.9041 9.9041 9.9459 9.9459 10.4710 10.4710 10.4739 10.4739 12.8475 12.8475 k = 0.1731 0.2998 0.3957 ( 2590 PWs) bands (ev): -0.2489 -0.2489 -0.2474 -0.2474 5.3855 5.3855 5.4145 5.4145 6.9167 6.9167 6.9969 6.9969 8.0308 8.0308 8.0574 8.0574 8.7166 8.7166 8.7451 8.7451 8.9936 8.9936 9.0138 9.0138 9.9850 9.9850 10.0308 10.0308 10.5065 10.5065 10.5078 10.5078 12.7644 12.7644 k = 0.1667 0.2887 0.3957 ( 2590 PWs) bands (ev): -0.2999 -0.2999 -0.2986 -0.2986 5.4667 5.4667 5.4949 5.4949 6.9649 6.9649 7.0409 7.0409 8.0333 8.0333 8.0574 8.0574 8.7163 8.7163 8.7462 8.7462 8.9764 8.9764 8.9969 8.9969 10.0706 10.0706 10.1202 10.1202 10.5412 10.5412 10.5422 10.5422 12.6836 12.6836 k = 0.1603 0.2776 0.3957 ( 2586 PWs) bands (ev): -0.3502 -0.3502 -0.3490 -0.3490 5.5501 5.5501 5.5777 5.5777 7.0097 7.0097 7.0817 7.0817 8.0354 8.0354 8.0570 8.0570 8.7163 8.7163 8.7475 8.7475 8.9599 8.9599 8.9808 8.9808 10.1605 10.1605 10.2134 10.2134 10.5739 10.5739 10.5781 10.5781 12.6058 12.6058 k = 0.1538 0.2665 0.3957 ( 2586 PWs) bands (ev): -0.3996 -0.3996 -0.3986 -0.3986 5.6357 5.6357 5.6624 5.6624 7.0514 7.0514 7.1192 7.1192 8.0370 8.0370 8.0561 8.0561 8.7166 8.7166 8.7491 8.7491 8.9440 8.9440 8.9655 8.9655 10.2543 10.2543 10.3094 10.3094 10.6056 10.6056 10.6146 10.6146 12.5316 12.5316 k = 0.1474 0.2554 0.3957 ( 2586 PWs) bands (ev): -0.4479 -0.4479 -0.4471 -0.4471 5.7229 5.7229 5.7489 5.7489 7.0900 7.0900 7.1536 7.1536 8.0379 8.0379 8.0547 8.0547 8.7173 8.7173 8.7509 8.7509 8.9288 8.9288 8.9510 8.9510 10.3514 10.3514 10.4063 10.4063 10.6363 10.6363 10.6528 10.6528 12.4615 12.4615 k = 0.1410 0.2443 0.3957 ( 2594 PWs) bands (ev): -0.4951 -0.4951 -0.4943 -0.4943 5.8116 5.8116 5.8368 5.8368 7.1255 7.1255 7.1849 7.1849 8.0381 8.0381 8.0527 8.0527 8.7183 8.7183 8.7529 8.7529 8.9146 8.9146 8.9373 8.9373 10.4503 10.4503 10.4998 10.4998 10.6662 10.6662 10.6960 10.6960 12.3964 12.3964 k = 0.1346 0.2332 0.3957 ( 2596 PWs) bands (ev): -0.5409 -0.5409 -0.5402 -0.5402 5.9014 5.9014 5.9258 5.9258 7.1580 7.1580 7.2133 7.2133 8.0376 8.0376 8.0501 8.0501 8.7198 8.7198 8.7551 8.7551 8.9012 8.9012 8.9246 8.9246 10.5482 10.5482 10.5813 10.5813 10.6976 10.6976 10.7519 10.7519 12.3370 12.3370 k = 0.1282 0.2221 0.3957 ( 2596 PWs) bands (ev): -0.5852 -0.5852 -0.5847 -0.5847 5.9920 5.9920 6.0156 6.0156 7.1877 7.1877 7.2390 7.2390 8.0362 8.0362 8.0468 8.0468 8.7216 8.7216 8.7575 8.7575 8.8887 8.8887 8.9128 8.9128 10.6335 10.6335 10.6402 10.6402 10.7408 10.7408 10.8299 10.8299 12.2843 12.2843 k = 0.1218 0.2110 0.3957 ( 2604 PWs) bands (ev): -0.6280 -0.6280 -0.6275 -0.6275 6.0830 6.0830 6.1058 6.1058 7.2146 7.2146 7.2620 7.2620 8.0339 8.0339 8.0428 8.0428 8.7239 8.7239 8.7601 8.7601 8.8772 8.8772 8.9018 8.9018 10.6774 10.6774 10.6840 10.6840 10.8168 10.8168 10.9277 10.9277 12.2391 12.2391 k = 0.1154 0.1999 0.3957 ( 2600 PWs) bands (ev): -0.6691 -0.6691 -0.6687 -0.6687 6.1743 6.1743 6.1961 6.1961 7.2391 7.2391 7.2828 7.2828 8.0307 8.0307 8.0382 8.0382 8.7267 8.7267 8.7629 8.7629 8.8667 8.8667 8.8917 8.8917 10.7003 10.7003 10.7066 10.7066 10.9178 10.9178 11.0368 11.0368 12.2024 12.2024 k = 0.1090 0.1887 0.3957 ( 2598 PWs) bands (ev): -0.7084 -0.7084 -0.7081 -0.7081 6.2653 6.2653 6.2862 6.2862 7.2612 7.2612 7.3012 7.3012 8.0266 8.0266 8.0328 8.0328 8.7298 8.7298 8.7657 8.7657 8.8571 8.8571 8.8824 8.8824 10.7132 10.7132 10.7167 10.7167 11.0275 11.0275 11.1516 11.1516 12.1749 12.1749 k = 0.1026 0.1776 0.3957 ( 2602 PWs) bands (ev): -0.7459 -0.7459 -0.7456 -0.7456 6.3558 6.3558 6.3757 6.3757 7.2811 7.2811 7.3177 7.3177 8.0215 8.0215 8.0265 8.0265 8.7333 8.7333 8.7687 8.7687 8.8483 8.8483 8.8738 8.8738 10.7179 10.7179 10.7186 10.7186 11.1405 11.1405 11.2690 11.2690 12.1574 12.1574 k = 0.0962 0.1665 0.3957 ( 2598 PWs) bands (ev): -0.7815 -0.7815 -0.7812 -0.7812 6.4454 6.4454 6.4643 6.4643 7.2991 7.2991 7.3323 7.3323 8.0153 8.0153 8.0195 8.0195 8.7372 8.7372 8.7717 8.7717 8.8403 8.8403 8.8658 8.8658 10.7138 10.7138 10.7153 10.7153 11.2549 11.2549 11.3875 11.3875 12.1501 12.1501 k = 0.0897 0.1554 0.3957 ( 2602 PWs) bands (ev): -0.8150 -0.8150 -0.8148 -0.8148 6.5337 6.5337 6.5515 6.5515 7.3152 7.3152 7.3453 7.3453 8.0081 8.0081 8.0116 8.0116 8.7413 8.7413 8.7748 8.7748 8.8331 8.8331 8.8584 8.8584 10.7030 10.7030 10.7060 10.7060 11.3694 11.3694 11.5053 11.5054 12.1531 12.1531 k = 0.0833 0.1443 0.3957 ( 2598 PWs) bands (ev): -0.8465 -0.8465 -0.8463 -0.8463 6.6203 6.6203 6.6369 6.6369 7.3298 7.3298 7.3568 7.3568 7.9999 7.9999 8.0027 8.0027 8.7458 8.7458 8.7778 8.7778 8.8267 8.8267 8.8516 8.8516 10.6869 10.6869 10.6908 10.6908 11.4833 11.4833 11.6214 11.6214 12.1662 12.1662 k = 0.0769 0.1332 0.3957 ( 2598 PWs) bands (ev): -0.8758 -0.8758 -0.8757 -0.8757 6.7047 6.7047 6.7201 6.7201 7.3431 7.3431 7.3671 7.3671 7.9906 7.9906 7.9930 7.9930 8.7504 8.7504 8.7808 8.7808 8.8210 8.8210 8.8453 8.8453 10.6665 10.6665 10.6706 10.6706 11.5957 11.5957 11.7340 11.7340 12.1892 12.1892 k = 0.0705 0.1221 0.3957 ( 2602 PWs) bands (ev): -0.9030 -0.9030 -0.9029 -0.9029 6.7864 6.7864 6.8006 6.8006 7.3551 7.3551 7.3764 7.3764 7.9802 7.9802 7.9822 7.9822 8.7551 8.7551 8.7836 8.7836 8.8160 8.8160 8.8393 8.8393 10.6426 10.6426 10.6465 10.6465 11.7056 11.7056 11.8413 11.8413 12.2215 12.2215 k = 0.0641 0.1110 0.3957 ( 2606 PWs) bands (ev): -0.9280 -0.9280 -0.9279 -0.9279 6.8648 6.8648 6.8777 6.8777 7.3664 7.3664 7.3849 7.3849 7.9687 7.9687 7.9704 7.9704 8.7598 8.7598 8.7862 8.7862 8.8116 8.8116 8.8337 8.8337 10.6163 10.6163 10.6197 10.6197 11.8120 11.8121 11.9412 11.9412 12.2630 12.2630 k = 0.0577 0.0999 0.3957 ( 2602 PWs) bands (ev): -0.9507 -0.9507 -0.9506 -0.9506 6.9394 6.9394 6.9508 6.9508 7.3771 7.3771 7.3930 7.3930 7.9561 7.9561 7.9576 7.9576 8.7647 8.7647 8.7886 8.7886 8.8079 8.8079 8.8285 8.8285 10.5886 10.5886 10.5915 10.5915 11.9140 11.9140 12.0317 12.0317 12.3133 12.3133 k = 0.0513 0.0888 0.3957 ( 2598 PWs) bands (ev): -0.9711 -0.9711 -0.9711 -0.9711 7.0094 7.0094 7.0193 7.0193 7.3876 7.3876 7.4009 7.4009 7.9425 7.9425 7.9438 7.9438 8.7694 8.7694 8.7906 8.7906 8.8049 8.8049 8.8236 8.8236 10.5607 10.5607 10.5629 10.5629 12.0100 12.0100 12.1109 12.1109 12.3713 12.3713 k = 0.0449 0.0777 0.3957 ( 2598 PWs) bands (ev): -0.9892 -0.9892 -0.9891 -0.9891 7.0738 7.0738 7.0820 7.0820 7.3983 7.3983 7.4091 7.4091 7.9280 7.9280 7.9290 7.9290 8.7740 8.7740 8.7921 8.7921 8.8026 8.8026 8.8190 8.8190 10.5334 10.5334 10.5350 10.5350 12.0986 12.0986 12.1786 12.1786 12.4344 12.4344 k = 0.0385 0.0666 0.3957 ( 2606 PWs) bands (ev): -1.0049 -1.0049 -1.0049 -1.0049 7.1315 7.1315 7.1379 7.1379 7.4099 7.4099 7.4181 7.4181 7.9127 7.9127 7.9135 7.9135 8.7782 8.7782 8.7930 8.7930 8.8011 8.8011 8.8147 8.8147 10.5077 10.5077 10.5088 10.5088 12.1782 12.1782 12.2359 12.2359 12.4986 12.4986 k = 0.0321 0.0555 0.3957 ( 2602 PWs) bands (ev): -1.0182 -1.0182 -1.0182 -1.0182 7.1812 7.1812 7.1857 7.1857 7.4227 7.4227 7.4284 7.4284 7.8971 7.8971 7.8977 7.8977 8.7823 8.7823 8.7933 8.7933 8.8004 8.8004 8.8107 8.8107 10.4844 10.4844 10.4851 10.4851 12.2471 12.2471 12.2842 12.2842 12.5598 12.5598 k = 0.0256 0.0444 0.3957 ( 2598 PWs) bands (ev): -1.0292 -1.0292 -1.0292 -1.0292 7.2216 7.2216 7.2243 7.2243 7.4370 7.4370 7.4404 7.4404 7.8817 7.8817 7.8821 7.8821 8.7860 8.7860 8.7934 8.7934 8.8001 8.8001 8.8071 8.8071 10.4643 10.4643 10.4647 10.4647 12.3038 12.3038 12.3243 12.3243 12.6140 12.6142 k = 0.0192 0.0333 0.3957 ( 2596 PWs) bands (ev): -1.0377 -1.0377 -1.0377 -1.0377 7.2519 7.2519 7.2532 7.2532 7.4519 7.4519 7.4536 7.4536 7.8675 7.8675 7.8677 7.8677 8.7893 8.7893 8.7935 8.7935 8.7998 8.7998 8.8038 8.8038 10.4480 10.4480 10.4482 10.4482 12.3473 12.3473 12.3564 12.3564 12.6584 12.6584 k = 0.0128 0.0222 0.3957 ( 2600 PWs) bands (ev): -1.0438 -1.0438 -1.0438 -1.0438 7.2723 7.2723 7.2727 7.2727 7.4656 7.4656 7.4661 7.4661 7.8556 7.8556 7.8557 7.8557 8.7921 8.7921 8.7939 8.7939 8.7993 8.7993 8.8010 8.8010 10.4360 10.4360 10.4360 10.4360 12.3776 12.3776 12.3803 12.3803 12.6914 12.6929 k = 0.0064 0.0111 0.3957 ( 2604 PWs) bands (ev): -1.0475 -1.0475 -1.0475 -1.0475 7.2837 7.2837 7.2838 7.2838 7.4753 7.4753 7.4754 7.4754 7.8476 7.8476 7.8476 7.8476 8.7943 8.7943 8.7946 8.7946 8.7985 8.7985 8.7988 8.7988 10.4286 10.4286 10.4286 10.4286 12.3950 12.3950 12.3954 12.3954 12.7104 12.7106 k = 0.0000 0.0000 0.3957 ( 2612 PWs) bands (ev): -1.0487 -1.0487 -1.0487 -1.0487 7.2874 7.2874 7.2874 7.2874 7.4788 7.4788 7.4788 7.4788 7.8448 7.8448 7.8448 7.8448 8.7952 8.7952 8.7952 8.7952 8.7978 8.7978 8.7978 8.7978 10.4261 10.4261 10.4261 10.4261 12.4006 12.4006 12.4006 12.4006 12.7167 12.7167 k = 0.5000 0.2887 0.3957 ( 2592 PWs) bands (ev): 0.3933 0.3933 0.3933 0.3933 4.1344 4.1344 4.1344 4.1344 7.1515 7.1515 7.1515 7.1515 7.8629 7.8629 7.8629 7.8629 8.8898 8.8898 8.8898 8.8898 9.1406 9.1406 9.1406 9.1406 9.1913 9.1913 9.1913 9.1913 10.8511 10.8511 10.8511 10.8512 12.2378 12.2378 k = 0.5000 0.2887 0.3829 ( 2592 PWs) bands (ev): 0.3689 0.3689 0.4164 0.4164 4.0919 4.0919 4.1824 4.1824 7.1433 7.1433 7.1592 7.1592 7.8175 7.8175 7.9073 7.9073 8.8523 8.8523 8.9248 8.9248 9.1225 9.1225 9.1533 9.1533 9.1802 9.1802 9.2096 9.2096 10.7722 10.7722 10.9336 10.9336 12.1670 12.1670 k = 0.5000 0.2887 0.3702 ( 2604 PWs) bands (ev): 0.3433 0.3433 0.4380 0.4380 4.0550 4.0550 4.2357 4.2357 7.1346 7.1346 7.1663 7.1663 7.7716 7.7716 7.9505 7.9505 8.8130 8.8130 8.9557 8.9557 9.1050 9.1050 9.1497 9.1497 9.1855 9.1855 9.2317 9.2317 10.6966 10.6966 11.0193 11.0193 12.0955 12.0955 k = 0.5000 0.2887 0.3574 ( 2604 PWs) bands (ev): 0.3167 0.3167 0.4580 0.4580 4.0237 4.0237 4.2942 4.2942 7.1255 7.1255 7.1728 7.1728 7.7256 7.7256 7.9923 7.9923 8.7722 8.7722 8.9790 8.9790 9.0932 9.0932 9.1381 9.1381 9.1982 9.1982 9.2566 9.2566 10.6246 10.6246 11.1084 11.1084 12.0234 12.0234 k = 0.5000 0.2887 0.3447 ( 2606 PWs) bands (ev): 0.2894 0.2894 0.4762 0.4762 3.9981 3.9981 4.3577 4.3577 7.1161 7.1161 7.1784 7.1784 7.6797 7.6797 8.0322 8.0322 8.7301 8.7301 8.9883 8.9883 9.0933 9.0933 9.1263 9.1263 9.2112 9.2112 9.2834 9.2834 10.5561 10.5561 11.2007 11.2007 11.9507 11.9507 k = 0.5000 0.2887 0.3319 ( 2616 PWs) bands (ev): 0.2615 0.2615 0.4926 0.4926 3.9783 3.9783 4.4259 4.4259 7.1065 7.1065 7.1832 7.1832 7.6344 7.6344 8.0698 8.0698 8.6867 8.6867 8.9819 8.9819 9.1023 9.1023 9.1200 9.1200 9.2238 9.2238 9.3114 9.3114 10.4911 10.4911 11.2961 11.2961 11.8777 11.8777 k = 0.5000 0.2887 0.3191 ( 2606 PWs) bands (ev): 0.2332 0.2332 0.5071 0.5071 3.9642 3.9642 4.4988 4.4988 7.0967 7.0967 7.1869 7.1869 7.5902 7.5902 8.1049 8.1049 8.6423 8.6423 8.9667 8.9667 9.0964 9.0964 9.1367 9.1367 9.2359 9.2359 9.3404 9.3404 10.4297 10.4297 11.3942 11.3942 11.8047 11.8047 k = 0.5000 0.2887 0.3064 ( 2612 PWs) bands (ev): 0.2047 0.2047 0.5195 0.5195 3.9557 3.9557 4.5761 4.5761 7.0867 7.0867 7.1895 7.1895 7.5472 7.5472 8.1371 8.1371 8.5966 8.5966 8.9478 8.9478 9.0851 9.0851 9.1616 9.1616 9.2477 9.2477 9.3697 9.3697 10.3719 10.3719 11.4942 11.4942 11.7326 11.7326 k = 0.5000 0.2887 0.2936 ( 2612 PWs) bands (ev): 0.1761 0.1761 0.5300 0.5300 3.9528 3.9528 4.6576 4.6576 7.0767 7.0767 7.1906 7.1906 7.5060 7.5060 8.1660 8.1660 8.5498 8.5498 8.9276 8.9276 9.0734 9.0734 9.1869 9.1869 9.2593 9.2593 9.3991 9.3991 10.3177 10.3177 11.5865 11.5865 11.6709 11.6709 k = 0.5000 0.2887 0.2808 ( 2604 PWs) bands (ev): 0.1476 0.1476 0.5385 0.5385 3.9552 3.9552 4.7431 4.7431 7.0667 7.0667 7.1899 7.1899 7.4673 7.4673 8.1913 8.1913 8.5020 8.5020 8.9074 8.9074 9.0618 9.0618 9.2109 9.2109 9.2712 9.2712 9.4286 9.4286 10.2672 10.2672 11.5700 11.5700 11.7209 11.7209 k = 0.5000 0.2887 0.2681 ( 2606 PWs) bands (ev): 0.1194 0.1194 0.5452 0.5452 3.9627 3.9627 4.8325 4.8325 7.0567 7.0567 7.1871 7.1871 7.4315 7.4315 8.2127 8.2127 8.4529 8.4529 8.8872 8.8872 9.0504 9.0504 9.2324 9.2324 9.2839 9.2839 9.4577 9.4577 10.2201 10.2201 11.5004 11.5004 11.8271 11.8271 k = 0.5000 0.2887 0.2553 ( 2606 PWs) bands (ev): 0.0917 0.0917 0.5500 0.5500 3.9752 3.9752 4.9254 4.9254 7.0468 7.0468 7.1816 7.1816 7.3995 7.3995 8.2297 8.2297 8.4028 8.4028 8.8674 8.8674 9.0394 9.0394 9.2502 9.2502 9.2981 9.2981 9.4864 9.4864 10.1765 10.1765 11.4278 11.4278 11.9393 11.9393 k = 0.5000 0.2887 0.2425 ( 2610 PWs) bands (ev): 0.0645 0.0645 0.5531 0.5531 3.9921 3.9921 5.0217 5.0217 7.0371 7.0371 7.1730 7.1730 7.3720 7.3720 8.2418 8.2418 8.3516 8.3516 8.8482 8.8482 9.0287 9.0287 9.2639 9.2639 9.3138 9.3138 9.5143 9.5143 10.1365 10.1365 11.3553 11.3553 12.0546 12.0546 k = 0.5000 0.2887 0.2298 ( 2614 PWs) bands (ev): 0.0380 0.0380 0.5546 0.5546 4.0133 4.0133 5.1211 5.1211 7.0276 7.0276 7.1610 7.1610 7.3494 7.3494 8.2482 8.2482 8.3002 8.3002 8.8297 8.8297 9.0183 9.0183 9.2743 9.2743 9.3306 9.3306 9.5412 9.5412 10.0998 10.0998 11.2836 11.2836 12.1723 12.1723 k = 0.5000 0.2887 0.2170 ( 2612 PWs) bands (ev): 0.0123 0.0123 0.5547 0.5547 4.0382 4.0382 5.2235 5.2235 7.0184 7.0184 7.1458 7.1458 7.3316 7.3316 8.2373 8.2373 8.2596 8.2596 8.8120 8.8120 9.0083 9.0083 9.2821 9.2821 9.3472 9.3472 9.5671 9.5671 10.0665 10.0665 11.2132 11.2132 12.2914 12.2914 k = 0.5000 0.2887 0.2042 ( 2612 PWs) bands (ev): -0.0124 -0.0124 0.5536 0.5536 4.0664 4.0664 5.3286 5.3286 7.0095 7.0095 7.1281 7.1281 7.3184 7.3184 8.1878 8.1878 8.2508 8.2508 8.7950 8.7950 8.9988 8.9988 9.2881 9.2881 9.3631 9.3631 9.5917 9.5917 10.0365 10.0365 11.1445 11.1445 12.4105 12.4105 k = 0.5000 0.2887 0.1915 ( 2606 PWs) bands (ev): -0.0361 -0.0361 0.5514 0.5514 4.0975 4.0975 5.4362 5.4362 7.0009 7.0009 7.1092 7.1092 7.3089 7.3089 8.1329 8.1329 8.2404 8.2404 8.7790 8.7790 8.9898 8.9898 9.2926 9.2926 9.3776 9.3776 9.6151 9.6151 10.0096 10.0096 11.0779 11.0779 12.5252 12.5252 k = 0.5000 0.2887 0.1787 ( 2604 PWs) bands (ev): -0.0587 -0.0587 0.5483 0.5483 4.1308 4.1308 5.5459 5.5459 6.9928 6.9928 7.0900 7.0900 7.3020 7.3020 8.0766 8.0766 8.2241 8.2241 8.7637 8.7637 8.9812 8.9812 9.2960 9.2960 9.3907 9.3907 9.6369 9.6369 9.9857 9.9857 11.0138 11.0138 12.6208 12.6208 k = 0.5000 0.2887 0.1659 ( 2612 PWs) bands (ev): -0.0800 -0.0800 0.5445 0.5445 4.1659 4.1659 5.6576 5.6576 6.9852 6.9852 7.0714 7.0714 7.2972 7.2972 8.0197 8.0197 8.2010 8.2010 8.7493 8.7493 8.9730 8.9730 9.2983 9.2983 9.4022 9.4022 9.6570 9.6570 9.9643 9.9643 10.9526 10.9526 12.6565 12.6565 k = 0.5000 0.2887 0.1532 ( 2612 PWs) bands (ev): -0.1001 -0.1001 0.5402 0.5402 4.2020 4.2020 5.7709 5.7709 6.9780 6.9780 7.0544 7.0544 7.2939 7.2939 7.9624 7.9624 8.1710 8.1710 8.7358 8.7358 8.9655 8.9655 9.2998 9.2998 9.4121 9.4121 9.6756 9.6756 9.9459 9.9459 10.8946 10.8946 12.6288 12.6288 k = 0.5000 0.2887 0.1404 ( 2602 PWs) bands (ev): -0.1188 -0.1188 0.5355 0.5355 4.2387 4.2387 5.8854 5.8854 6.9713 6.9713 7.0394 7.0394 7.2919 7.2919 7.9049 7.9049 8.1338 8.1338 8.7234 8.7234 8.9585 8.9585 9.3007 9.3007 9.4205 9.4205 9.6929 9.6929 9.9301 9.9301 10.8402 10.8402 12.5787 12.5787 k = 0.5000 0.2887 0.1276 ( 2606 PWs) bands (ev): -0.1361 -0.1361 0.5307 0.5307 4.2753 4.2753 6.0008 6.0008 6.9649 6.9649 7.0269 7.0269 7.2910 7.2910 7.8476 7.8476 8.0893 8.0893 8.7119 8.7119 8.9520 8.9520 9.3009 9.3009 9.4275 9.4275 9.7083 9.7083 9.9165 9.9165 10.7897 10.7897 12.5239 12.5239 k = 0.5000 0.2887 0.1149 ( 2608 PWs) bands (ev): -0.1519 -0.1519 0.5258 0.5258 4.3110 4.3110 6.1165 6.1165 6.9591 6.9591 7.0172 7.0172 7.2912 7.2912 7.7910 7.7910 8.0375 8.0375 8.7014 8.7014 8.9460 8.9460 9.3007 9.3007 9.4332 9.4332 9.7220 9.7220 9.9050 9.9050 10.7432 10.7432 12.4702 12.4702 k = 0.5000 0.2887 0.1021 ( 2614 PWs) bands (ev): -0.1661 -0.1661 0.5211 0.5211 4.3453 4.3453 6.2320 6.2320 6.9536 6.9536 7.0107 7.0107 7.2926 7.2926 7.7354 7.7354 7.9787 7.9787 8.6920 8.6920 8.9407 8.9407 9.3002 9.3002 9.4377 9.4377 9.7341 9.7341 9.8954 9.8954 10.7011 10.7011 12.4202 12.4202 k = 0.5000 0.2887 0.0894 ( 2614 PWs) bands (ev): -0.1788 -0.1788 0.5166 0.5166 4.3775 4.3775 6.3464 6.3464 6.9486 6.9486 7.0077 7.0077 7.2953 7.2953 7.6813 7.6813 7.9133 7.9133 8.6836 8.6836 8.9360 8.9360 9.2995 9.2995 9.4414 9.4414 9.7447 9.7447 9.8875 9.8875 10.6635 10.6635 12.3750 12.3750 k = 0.5000 0.2887 0.0766 ( 2610 PWs) bands (ev): -0.1899 -0.1899 0.5125 0.5125 4.4070 4.4070 6.4585 6.4585 6.9438 6.9438 7.0086 7.0086 7.2996 7.2996 7.6293 7.6293 7.8418 7.8418 8.6765 8.6765 8.9318 8.9318 9.2986 9.2986 9.4443 9.4443 9.7538 9.7538 9.8812 9.8812 10.6307 10.6307 12.3356 12.3356 k = 0.5000 0.2887 0.0638 ( 2610 PWs) bands (ev): -0.1993 -0.1993 0.5088 0.5088 4.4331 4.4331 6.5666 6.5666 6.9392 6.9392 7.0140 7.0140 7.3059 7.3059 7.5801 7.5801 7.7653 7.7653 8.6703 8.6703 8.9283 8.9283 9.2977 9.2977 9.4465 9.4465 9.7613 9.7613 9.8763 9.8763 10.6027 10.6027 12.3020 12.3020 k = 0.5000 0.2887 0.0511 ( 2610 PWs) bands (ev): -0.2070 -0.2070 0.5057 0.5057 4.4553 4.4553 6.6676 6.6676 6.9347 6.9347 7.0252 7.0252 7.3143 7.3143 7.5341 7.5341 7.6853 7.6853 8.6653 8.6653 8.9254 8.9254 9.2969 9.2969 9.4481 9.4481 9.7673 9.7673 9.8726 9.8726 10.5797 10.5797 12.2746 12.2746 k = 0.5000 0.2887 0.0383 ( 2610 PWs) bands (ev): -0.2131 -0.2131 0.5032 0.5032 4.4731 4.4731 6.7562 6.7562 6.9300 6.9300 7.0449 7.0449 7.3254 7.3254 7.4918 7.4918 7.6046 7.6046 8.6613 8.6613 8.9232 8.9232 9.2962 9.2962 9.4492 9.4492 9.7719 9.7719 9.8699 9.8699 10.5617 10.5617 12.2533 12.2533 k = 0.5000 0.2887 0.0255 ( 2610 PWs) bands (ev): -0.2174 -0.2174 0.5014 0.5014 4.4862 4.4862 6.8251 6.8251 6.9245 6.9245 7.0758 7.0758 7.3392 7.3392 7.4535 7.4535 7.5284 7.5284 8.6585 8.6585 8.9215 8.9215 9.2957 9.2957 9.4500 9.4500 9.7752 9.7752 9.8681 9.8681 10.5489 10.5489 12.2382 12.2382 k = 0.5000 0.2887 0.0128 ( 2606 PWs) bands (ev): -0.2200 -0.2200 0.5003 0.5003 4.4941 4.4941 6.8693 6.8693 6.9174 6.9174 7.1125 7.1125 7.3543 7.3543 7.4199 7.4199 7.4692 7.4692 8.6569 8.6569 8.9205 8.9205 9.2953 9.2953 9.4505 9.4505 9.7771 9.7771 9.8671 9.8671 10.5411 10.5411 12.2291 12.2291 k = 0.5000 0.2887-0.0000 ( 2602 PWs) bands (ev): -0.2209 -0.2209 0.4999 0.4999 4.4968 4.4968 6.8870 6.8870 6.9115 6.9115 7.1314 7.1314 7.3635 7.3635 7.4017 7.4017 7.4462 7.4462 8.6563 8.6563 8.9202 8.9202 9.2953 9.2953 9.4506 9.4506 9.7778 9.7778 9.8667 9.8667 10.5386 10.5386 12.2261 12.2261 k = 0.3333 0.5774-0.0000 ( 2610 PWs) bands (ev): 0.3852 0.3852 0.3866 0.3866 3.8816 3.8816 5.9157 5.9157 6.1006 6.1006 7.3625 7.3625 7.3699 7.3699 7.9308 7.9308 8.4617 8.4617 8.9430 8.9430 9.0549 9.0549 9.3027 9.3027 9.7907 9.7907 9.8459 9.8459 10.2398 10.2398 10.3167 10.3167 11.3026 11.3026 k = 0.3333 0.5774 0.0128 ( 2601 PWs) bands (ev): 0.3857 0.3857 0.3871 0.3871 3.8834 3.8834 5.9111 5.9111 6.0956 6.0956 7.3656 7.3656 7.3728 7.3728 7.9321 7.9321 8.4527 8.4527 8.9432 8.9432 9.0550 9.0550 9.3054 9.3054 9.7902 9.7902 9.8454 9.8454 10.2365 10.2365 10.3133 10.3133 11.3109 11.3109 k = 0.3333 0.5774 0.0255 ( 2601 PWs) bands (ev): 0.3872 0.3872 0.3886 0.3886 3.8885 3.8885 5.8977 5.8977 6.0810 6.0810 7.3747 7.3747 7.3811 7.3811 7.9351 7.9351 8.4264 8.4264 8.9437 8.9437 9.0553 9.0553 9.3130 9.3130 9.7883 9.7883 9.8435 9.8435 10.2267 10.2267 10.3035 10.3035 11.3356 11.3356 k = 0.3333 0.5774 0.0383 ( 2595 PWs) bands (ev): 0.3897 0.3897 0.3910 0.3910 3.8970 3.8970 5.8757 5.8757 6.0573 6.0573 7.3892 7.3892 7.3946 7.3946 7.9400 7.9400 8.3844 8.3844 8.9446 8.9446 9.0557 9.0557 9.3241 9.3241 9.7854 9.7854 9.8405 9.8405 10.2114 10.2114 10.2881 10.2881 11.3757 11.3757 k = 0.3333 0.5774 0.0511 ( 2595 PWs) bands (ev): 0.3933 0.3933 0.3944 0.3944 3.9089 3.9089 5.8461 5.8461 6.0254 6.0254 7.4084 7.4084 7.4126 7.4126 7.9468 7.9468 8.3289 8.3289 8.9458 8.9458 9.0562 9.0562 9.3371 9.3371 9.7813 9.7813 9.8361 9.8361 10.1917 10.1917 10.2683 10.2683 11.4299 11.4299 k = 0.3333 0.5774 0.0638 ( 2595 PWs) bands (ev): 0.3978 0.3978 0.3988 0.3988 3.9242 3.9242 5.8095 5.8095 5.9864 5.9864 7.4313 7.4313 7.4345 7.4345 7.9553 7.9553 8.2621 8.2621 8.9472 8.9472 9.0567 9.0567 9.3503 9.3503 9.7761 9.7761 9.8305 9.8305 10.1690 10.1690 10.2456 10.2456 11.4967 11.4967 k = 0.3333 0.5774 0.0766 ( 2598 PWs) bands (ev): 0.4032 0.4032 0.4040 0.4040 3.9428 3.9428 5.7670 5.7670 5.9413 5.9413 7.4568 7.4568 7.4595 7.4595 7.9652 7.9652 8.1868 8.1868 8.9489 8.9489 9.0572 9.0572 9.3623 9.3623 9.7699 9.7699 9.8237 9.8237 10.1443 10.1443 10.2209 10.2209 11.5748 11.5748 k = 0.3333 0.5774 0.0894 ( 2616 PWs) bands (ev): 0.4095 0.4095 0.4101 0.4101 3.9648 3.9648 5.7196 5.7196 5.8913 5.8913 7.4836 7.4836 7.4868 7.4868 7.9750 7.9750 8.1064 8.1064 8.9507 8.9507 9.0575 9.0575 9.3720 9.3720 9.7628 9.7628 9.8158 9.8158 10.1187 10.1187 10.1954 10.1954 11.6627 11.6627 k = 0.3333 0.5774 0.1021 ( 2610 PWs) bands (ev): 0.4167 0.4167 0.4170 0.4170 3.9902 3.9902 5.6681 5.6681 5.8374 5.8374 7.5105 7.5105 7.5159 7.5159 7.9725 7.9725 8.0352 8.0352 8.9529 8.9529 9.0579 9.0579 9.3789 9.3789 9.7550 9.7550 9.8069 9.8069 10.0929 10.0929 10.1696 10.1696 11.7597 11.7597 k = 0.3333 0.5774 0.1149 ( 2607 PWs) bands (ev): 0.4246 0.4246 0.4247 0.4247 4.0189 4.0189 5.6134 5.6134 5.7805 5.7805 7.5349 7.5349 7.5460 7.5460 7.9101 7.9101 8.0238 8.0238 8.9551 8.9551 9.0581 9.0581 9.3824 9.3824 9.7469 9.7469 9.7974 9.7974 10.0673 10.0673 10.1441 10.1441 11.8645 11.8645 k = 0.3333 0.5774 0.1276 ( 2607 PWs) bands (ev): 0.4330 0.4330 0.4333 0.4333 4.0509 4.0509 5.5565 5.5565 5.7215 5.7215 7.5519 7.5519 7.5768 7.5768 7.8273 7.8273 8.0382 8.0382 8.9574 8.9574 9.0579 9.0579 9.3821 9.3821 9.7384 9.7384 9.7871 9.7871 10.0425 10.0425 10.1192 10.1192 11.9766 11.9766 k = 0.3333 0.5774 0.1404 ( 2607 PWs) bands (ev): 0.4420 0.4420 0.4426 0.4426 4.0862 4.0862 5.4979 5.4979 5.6611 5.6611 7.5476 7.5476 7.6077 7.6077 7.7592 7.7592 8.0574 8.0574 8.9597 8.9597 9.0575 9.0575 9.3782 9.3782 9.7297 9.7297 9.7761 9.7761 10.0185 10.0185 10.0950 10.0950 12.0951 12.0951 k = 0.3333 0.5774 0.1532 ( 2607 PWs) bands (ev): 0.4515 0.4515 0.4524 0.4524 4.1248 4.1248 5.4384 5.4384 5.6001 5.6001 7.5008 7.5008 7.6386 7.6386 7.7298 7.7298 8.0791 8.0791 8.9619 8.9619 9.0566 9.0566 9.3706 9.3706 9.7211 9.7211 9.7649 9.7649 9.9955 9.9955 10.0718 10.0718 12.2194 12.2194 k = 0.3333 0.5774 0.1659 ( 2610 PWs) bands (ev): 0.4614 0.4614 0.4628 0.4628 4.1666 4.1666 5.3787 5.3787 5.5390 5.5390 7.4166 7.4166 7.6689 7.6689 7.7347 7.7347 8.1027 8.1027 8.9641 8.9641 9.0552 9.0552 9.3594 9.3594 9.7128 9.7128 9.7534 9.7534 9.9736 9.9736 10.0494 10.0494 12.3489 12.3489 k = 0.3333 0.5774 0.1787 ( 2604 PWs) bands (ev): 0.4718 0.4718 0.4735 0.4735 4.2116 4.2116 5.3192 5.3192 5.4784 5.4784 7.3156 7.3156 7.6987 7.6987 7.7539 7.7539 8.1287 8.1287 8.9661 8.9661 9.0533 9.0533 9.3448 9.3448 9.7050 9.7050 9.7419 9.7419 9.9527 9.9527 10.0280 10.0280 12.4829 12.4829 k = 0.3333 0.5774 0.1915 ( 2604 PWs) bands (ev): 0.4824 0.4824 0.4846 0.4846 4.2597 4.2597 5.2605 5.2605 5.4189 5.4189 7.2076 7.2076 7.7275 7.7275 7.7779 7.7779 8.1561 8.1561 8.9680 8.9680 9.0509 9.0509 9.3269 9.3269 9.6977 9.6977 9.7307 9.7307 9.9327 9.9327 10.0074 10.0074 12.6208 12.6208 k = 0.3333 0.5774 0.2042 ( 2604 PWs) bands (ev): 0.4932 0.4932 0.4958 0.4958 4.3109 4.3109 5.2030 5.2030 5.3608 5.3608 7.0963 7.0963 7.7554 7.7554 7.8035 7.8035 8.1851 8.1851 8.9696 8.9696 9.0478 9.0478 9.3061 9.3061 9.6912 9.6912 9.7198 9.7198 9.9138 9.9138 9.9876 9.9876 12.7620 12.7620 k = 0.3333 0.5774 0.2170 ( 2604 PWs) bands (ev): 0.5040 0.5040 0.5071 0.5071 4.3651 4.3651 5.1472 5.1472 5.3047 5.3047 6.9832 6.9832 7.7821 7.7821 7.8292 7.8292 8.2157 8.2157 8.9709 8.9709 9.0440 9.0440 9.2824 9.2824 9.6857 9.6857 9.7095 9.7095 9.8957 9.8957 9.9686 9.9686 12.9058 12.9058 k = 0.3333 0.5774 0.2298 ( 2604 PWs) bands (ev): 0.5148 0.5148 0.5183 0.5183 4.4222 4.4222 5.0936 5.0936 5.2511 5.2511 6.8694 6.8694 7.8076 7.8076 7.8545 7.8545 8.2477 8.2477 8.9719 8.9719 9.0396 9.0396 9.2563 9.2563 9.6811 9.6811 9.7000 9.7000 9.8785 9.8785 9.9503 9.9503 13.0513 13.0513 k = 0.3333 0.5774 0.2425 ( 2610 PWs) bands (ev): 0.5254 0.5254 0.5294 0.5294 4.4821 4.4821 5.0423 5.0423 5.2002 5.2002 6.7554 6.7554 7.8316 7.8316 7.8788 7.8788 8.2812 8.2812 8.9726 8.9726 9.0346 9.0346 9.2278 9.2278 9.6777 9.6777 9.6912 9.6912 9.8620 9.8620 9.9327 9.9327 13.1977 13.1977 k = 0.3333 0.5774 0.2553 ( 2604 PWs) bands (ev): 0.5358 0.5358 0.5402 0.5402 4.5446 4.5446 4.9939 4.9939 5.1527 5.1527 6.6418 6.6418 7.8543 7.8543 7.9022 7.9022 8.3159 8.3159 8.9730 8.9730 9.0290 9.0290 9.1974 9.1974 9.6754 9.6754 9.6835 9.6835 9.8464 9.8464 9.9157 9.9157 13.3442 13.3442 k = 0.3333 0.5774 0.2681 ( 2607 PWs) bands (ev): 0.5457 0.5457 0.5506 0.5506 4.6093 4.6093 4.9486 4.9486 5.1090 5.1090 6.5287 6.5287 7.8754 7.8754 7.9241 7.9241 8.3520 8.3520 8.9731 8.9731 9.0226 9.0226 9.1654 9.1654 9.6741 9.6741 9.6767 9.6767 9.8315 9.8315 9.8995 9.8995 13.4894 13.4894 k = 0.3333 0.5774 0.2808 ( 2601 PWs) bands (ev): 0.5551 0.5551 0.5604 0.5604 4.6757 4.6757 4.9066 4.9066 5.0700 5.0700 6.4167 6.4167 7.8950 7.8950 7.9446 7.9446 8.3891 8.3891 8.9729 8.9729 9.0155 9.0155 9.1323 9.1323 9.6712 9.6712 9.6741 9.6741 9.8175 9.8175 9.8839 9.8839 13.6321 13.6321 k = 0.3333 0.5774 0.2936 ( 2616 PWs) bands (ev): 0.5639 0.5639 0.5696 0.5696 4.7423 4.7423 4.8684 4.8684 5.0373 5.0373 6.3059 6.3059 7.9125 7.9125 7.9632 7.9632 8.4273 8.4273 8.9724 8.9724 9.0069 9.0069 9.0987 9.0987 9.6667 9.6667 9.6751 9.6751 9.8042 9.8042 9.8689 9.8689 13.7706 13.7706 k = 0.3333 0.5774 0.3064 ( 2610 PWs) bands (ev): 0.5720 0.5720 0.5781 0.5781 4.8055 4.8055 4.8340 4.8340 5.0146 5.0146 6.1967 6.1967 7.9285 7.9285 7.9802 7.9802 8.4663 8.4663 8.9718 8.9718 8.9958 8.9958 9.0667 9.0667 9.6633 9.6633 9.6771 9.6771 9.7920 9.7920 9.8548 9.8548 13.9032 13.9032 k = 0.3333 0.5774 0.3191 ( 2604 PWs) bands (ev): 0.5792 0.5792 0.5856 0.5856 4.8038 4.8038 4.8548 4.8548 5.0123 5.0123 6.0893 6.0893 7.9426 7.9426 7.9952 7.9952 8.5063 8.5063 8.9712 8.9712 8.9785 8.9785 9.0400 9.0400 9.6610 9.6610 9.6800 9.6800 9.7808 9.7808 9.8417 9.8417 14.0275 14.0275 k = 0.3333 0.5774 0.3319 ( 2610 PWs) bands (ev): 0.5855 0.5855 0.5922 0.5922 4.7779 4.7779 4.8751 4.8751 5.0458 5.0458 5.9842 5.9842 7.9546 7.9546 8.0082 8.0082 8.5468 8.5468 8.9516 8.9516 8.9703 8.9703 9.0221 9.0221 9.6594 9.6594 9.6834 9.6834 9.7707 9.7707 9.8295 9.8295 14.1409 14.1409 k = 0.3333 0.5774 0.3447 ( 2610 PWs) bands (ev): 0.5907 0.5907 0.5977 0.5977 4.7564 4.7564 4.8729 4.8729 5.1079 5.1079 5.8819 5.8819 7.9645 7.9645 8.0190 8.0190 8.5881 8.5881 8.9173 8.9173 8.9695 8.9695 9.0116 9.0116 9.6587 9.6587 9.6871 9.6871 9.7620 9.7620 9.8187 9.8187 14.2403 14.2403 k = 0.3333 0.5774 0.3574 ( 2610 PWs) bands (ev): 0.5949 0.5949 0.6021 0.6021 4.7396 4.7396 4.8643 4.8643 5.1818 5.1818 5.7834 5.7834 7.9724 7.9724 8.0275 8.0275 8.6297 8.6297 8.8791 8.8791 8.9688 8.9688 9.0051 9.0051 9.6585 9.6585 9.6909 9.6909 9.7548 9.7548 9.8095 9.8095 14.3226 14.3226 k = 0.3333 0.5774 0.3702 ( 2604 PWs) bands (ev): 0.5979 0.5979 0.6052 0.6052 4.7276 4.7276 4.8561 4.8561 5.2585 5.2585 5.6910 5.6910 7.9780 7.9780 8.0337 8.0337 8.6715 8.6715 8.8391 8.8391 8.9683 8.9683 9.0010 9.0010 9.6586 9.6586 9.6942 9.6942 9.7495 9.7495 9.8024 9.8024 14.3844 14.3844 k = 0.3333 0.5774 0.3829 ( 2604 PWs) bands (ev): 0.5998 0.5998 0.6071 0.6071 4.7203 4.7203 4.8507 4.8507 5.3283 5.3283 5.6122 5.6122 7.9815 7.9815 8.0375 8.0375 8.7135 8.7135 8.7980 8.7980 8.9680 8.9680 8.9987 8.9987 9.6588 9.6588 9.6964 9.6964 9.7461 9.7461 9.7978 9.7978 14.4228 14.4228 k = 0.3333 0.5774 0.3957 ( 2604 PWs) bands (ev): 0.6004 0.6004 0.6078 0.6078 4.7178 4.7178 4.8488 4.8488 5.3628 5.3628 5.5748 5.5748 7.9826 7.9826 8.0388 8.0388 8.7505 8.7505 8.7612 8.7612 8.9679 8.9679 8.9980 8.9980 9.6589 9.6589 9.6972 9.6972 9.7449 9.7449 9.7962 9.7962 14.4359 14.4359 Writing output data file FeSb.save init_run : 0.24s CPU 0.34s WALL ( 1 calls) electrons : 83.31s CPU 84.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 83.30s CPU 84.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 348 calls) cegterg : 74.34s CPU 75.46s WALL ( 394 calls) Called by sum_band: Called by *egterg: h_psi : 42.52s CPU 44.47s WALL ( 6868 calls) s_psi : 3.10s CPU 3.16s WALL ( 6868 calls) g_psi : 0.09s CPU 0.10s WALL ( 6126 calls) cdiaghg : 29.43s CPU 28.54s WALL ( 6474 calls) cegterg:over : 2.20s CPU 2.28s WALL ( 6126 calls) cegterg:upda : 1.48s CPU 1.59s WALL ( 6126 calls) cegterg:last : 0.90s CPU 0.97s WALL ( 1174 calls) cdiaghg:chol : 1.51s CPU 1.51s WALL ( 6474 calls) cdiaghg:inve : 0.86s CPU 0.84s WALL ( 6474 calls) cdiaghg:para : 1.56s CPU 1.60s WALL ( 12948 calls) Called by h_psi: h_psi:vloc : 36.21s CPU 37.94s WALL ( 6868 calls) h_psi:vnl : 6.24s CPU 6.45s WALL ( 6868 calls) add_vuspsi : 3.59s CPU 3.63s WALL ( 6868 calls) General routines calbec : 2.61s CPU 2.81s WALL ( 6868 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 34.17s CPU 35.84s WALL ( 542560 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.19s WALL ( 696 calls) Parallel routines fft_scatter : 13.10s CPU 13.91s WALL ( 542583 calls) PWSCF : 1m33.29s CPU 1m44.02s WALL This run was terminated on: 18:18:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=