Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 7:44 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: ./SbPt.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 19 5 2302 529 86 Max 51 20 6 2307 544 92 Sum 1813 685 211 82929 19255 3197 bravais-lattice index = 14 lattice parameter (alat) = 7.8046 a.u. unit-cell volume = 545.4731 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.804568 celldm(2)= 1.000000 celldm(3)= 1.324939 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 1.324939 ) 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 0.754751 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Pt 10.00 195.08400 Pt( 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 ) ( -0.6624697 ) 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 ) ( 0.6624697 ) 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 ) ( -0.6624697 ) 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 ) ( -0.6624697 ) 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 ) ( 0.6624697 ) 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 ) ( 0.6624697 ) 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 ) ( 0.6624697 ) 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 ) ( -0.6624697 ) 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 ) ( 0.6624697 ) 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 ) ( 0.6624697 ) 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 ) ( -0.6624697 ) 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 ) ( -0.6624697 ) 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= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0029586 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0029586 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0029586 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0029586 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0029586 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0029586 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0029586 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0029586 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0029586 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0029586 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0029586 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0029586 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0029586 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0029586 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0029586 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0029586 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0029586 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0029586 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0029586 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0029586 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0029586 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0029586 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0029586 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0029586 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0029586 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0029586 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0029586 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0029586 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0029586 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0029586 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0029586 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0029586 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0029586 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0029586 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0029586 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0029586 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0029586 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0029586 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0029586 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0029586 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0029586 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0029586 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0029586 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0029586 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0029586 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0029586 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0029586 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0029586 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029586 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0029586 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0029586 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0029586 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0029586 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0029586 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0029586 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0029586 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0029586 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0029586 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0029586 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0029586 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0029586 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0029586 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0029586 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0029586 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0029586 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0029586 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0029586 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0029586 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0029586 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0029586 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0029586 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0029586 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0029586 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0029586 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0029586 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0029586 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029586 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0029586 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0029586 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0029586 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0029586 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0029586 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0029586 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0029586 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0029586 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0029586 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0029586 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0029586 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0029586 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0029586 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0029586 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0029586 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0029586 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029586 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0029586 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0029586 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0029586 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0029586 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0029586 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0029586 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0029586 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0029586 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0029586 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0029586 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0029586 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0029586 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0029586 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0029586 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0029586 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0029586 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 126) = ( 0.0000000 0.0000000 0.0130130), wk = 0.0029586 k( 127) = ( 0.0000000 0.0000000 0.0260259), wk = 0.0029586 k( 128) = ( 0.0000000 0.0000000 0.0390389), wk = 0.0029586 k( 129) = ( 0.0000000 0.0000000 0.0520518), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.0650648), wk = 0.0029586 k( 131) = ( 0.0000000 0.0000000 0.0780777), wk = 0.0029586 k( 132) = ( 0.0000000 0.0000000 0.0910907), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.1041036), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.1171166), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.1301296), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.1431425), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.1561555), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.1691684), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.1821814), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.1951943), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.2082073), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.2212203), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.2342332), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.2472462), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.2602591), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.2732721), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.2862850), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.2992980), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.3123109), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.3253239), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.3383369), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.3513498), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.3643628), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.3773757), wk = 0.0029586 k( 155) = ( 0.0000000 0.0000000 0.3773757), wk = 0.0029586 k( 156) = ( 0.0113636 0.0065608 0.3773757), wk = 0.0029586 k( 157) = ( 0.0227273 0.0131216 0.3773757), wk = 0.0029586 k( 158) = ( 0.0340909 0.0196824 0.3773757), wk = 0.0029586 k( 159) = ( 0.0454546 0.0262432 0.3773757), wk = 0.0029586 k( 160) = ( 0.0568182 0.0328040 0.3773757), wk = 0.0029586 k( 161) = ( 0.0681818 0.0393648 0.3773757), wk = 0.0029586 k( 162) = ( 0.0795455 0.0459256 0.3773757), wk = 0.0029586 k( 163) = ( 0.0909091 0.0524864 0.3773757), wk = 0.0029586 k( 164) = ( 0.1022727 0.0590472 0.3773757), wk = 0.0029586 k( 165) = ( 0.1136364 0.0656080 0.3773757), wk = 0.0029586 k( 166) = ( 0.1250000 0.0721688 0.3773757), wk = 0.0029586 k( 167) = ( 0.1363636 0.0787296 0.3773757), wk = 0.0029586 k( 168) = ( 0.1477273 0.0852904 0.3773757), wk = 0.0029586 k( 169) = ( 0.1590909 0.0918512 0.3773757), wk = 0.0029586 k( 170) = ( 0.1704546 0.0984120 0.3773757), wk = 0.0029586 k( 171) = ( 0.1818182 0.1049728 0.3773757), wk = 0.0029586 k( 172) = ( 0.1931818 0.1115336 0.3773757), wk = 0.0029586 k( 173) = ( 0.2045454 0.1180944 0.3773757), wk = 0.0029586 k( 174) = ( 0.2159091 0.1246552 0.3773757), wk = 0.0029586 k( 175) = ( 0.2272727 0.1312160 0.3773757), wk = 0.0029586 k( 176) = ( 0.2386364 0.1377768 0.3773757), wk = 0.0029586 k( 177) = ( 0.2500000 0.1443376 0.3773757), wk = 0.0029586 k( 178) = ( 0.2613636 0.1508984 0.3773757), wk = 0.0029586 k( 179) = ( 0.2727273 0.1574592 0.3773757), wk = 0.0029586 k( 180) = ( 0.2840909 0.1640200 0.3773757), wk = 0.0029586 k( 181) = ( 0.2954545 0.1705808 0.3773757), wk = 0.0029586 k( 182) = ( 0.3068182 0.1771416 0.3773757), wk = 0.0029586 k( 183) = ( 0.3181818 0.1837024 0.3773757), wk = 0.0029586 k( 184) = ( 0.3295455 0.1902632 0.3773757), wk = 0.0029586 k( 185) = ( 0.3409091 0.1968240 0.3773757), wk = 0.0029586 k( 186) = ( 0.3522727 0.2033848 0.3773757), wk = 0.0029586 k( 187) = ( 0.3636364 0.2099456 0.3773757), wk = 0.0029586 k( 188) = ( 0.3750000 0.2165064 0.3773757), wk = 0.0029586 k( 189) = ( 0.3863636 0.2230672 0.3773757), wk = 0.0029586 k( 190) = ( 0.3977273 0.2296279 0.3773757), wk = 0.0029586 k( 191) = ( 0.4090909 0.2361887 0.3773757), wk = 0.0029586 k( 192) = ( 0.4204545 0.2427495 0.3773757), wk = 0.0029586 k( 193) = ( 0.4318182 0.2493103 0.3773757), wk = 0.0029586 k( 194) = ( 0.4431818 0.2558711 0.3773757), wk = 0.0029586 k( 195) = ( 0.4545455 0.2624319 0.3773757), wk = 0.0029586 k( 196) = ( 0.4659091 0.2689927 0.3773757), wk = 0.0029586 k( 197) = ( 0.4772727 0.2755535 0.3773757), wk = 0.0029586 k( 198) = ( 0.4886364 0.2821143 0.3773757), wk = 0.0029586 k( 199) = ( 0.5000000 0.2886751 0.3773757), wk = 0.0029586 k( 200) = ( 0.5000000 0.2886751 0.3773757), wk = 0.0029586 k( 201) = ( 0.4935897 0.2997780 0.3773757), wk = 0.0029586 k( 202) = ( 0.4871795 0.3108809 0.3773757), wk = 0.0029586 k( 203) = ( 0.4807692 0.3219838 0.3773757), wk = 0.0029586 k( 204) = ( 0.4743590 0.3330867 0.3773757), wk = 0.0029586 k( 205) = ( 0.4679487 0.3441896 0.3773757), wk = 0.0029586 k( 206) = ( 0.4615385 0.3552925 0.3773757), wk = 0.0029586 k( 207) = ( 0.4551282 0.3663954 0.3773757), wk = 0.0029586 k( 208) = ( 0.4487179 0.3774983 0.3773757), wk = 0.0029586 k( 209) = ( 0.4423077 0.3886011 0.3773757), wk = 0.0029586 k( 210) = ( 0.4358974 0.3997040 0.3773757), wk = 0.0029586 k( 211) = ( 0.4294872 0.4108069 0.3773757), wk = 0.0029586 k( 212) = ( 0.4230769 0.4219098 0.3773757), wk = 0.0029586 k( 213) = ( 0.4166667 0.4330127 0.3773757), wk = 0.0029586 k( 214) = ( 0.4102564 0.4441156 0.3773757), wk = 0.0029586 k( 215) = ( 0.4038462 0.4552185 0.3773757), wk = 0.0029586 k( 216) = ( 0.3974359 0.4663214 0.3773757), wk = 0.0029586 k( 217) = ( 0.3910256 0.4774243 0.3773757), wk = 0.0029586 k( 218) = ( 0.3846154 0.4885271 0.3773757), wk = 0.0029586 k( 219) = ( 0.3782051 0.4996300 0.3773757), wk = 0.0029586 k( 220) = ( 0.3717949 0.5107329 0.3773757), wk = 0.0029586 k( 221) = ( 0.3653846 0.5218358 0.3773757), wk = 0.0029586 k( 222) = ( 0.3589744 0.5329387 0.3773757), wk = 0.0029586 k( 223) = ( 0.3525641 0.5440416 0.3773757), wk = 0.0029586 k( 224) = ( 0.3461538 0.5551445 0.3773757), wk = 0.0029586 k( 225) = ( 0.3397436 0.5662474 0.3773757), wk = 0.0029586 k( 226) = ( 0.3333333 0.5773503 0.3773757), wk = 0.0029586 k( 227) = ( 0.3333333 0.5773503 0.3773757), wk = 0.0029586 k( 228) = ( 0.3267974 0.5660297 0.3773757), wk = 0.0029586 k( 229) = ( 0.3202614 0.5547091 0.3773757), wk = 0.0029586 k( 230) = ( 0.3137255 0.5433885 0.3773757), wk = 0.0029586 k( 231) = ( 0.3071895 0.5320679 0.3773757), wk = 0.0029586 k( 232) = ( 0.3006536 0.5207473 0.3773757), wk = 0.0029586 k( 233) = ( 0.2941177 0.5094267 0.3773757), wk = 0.0029586 k( 234) = ( 0.2875817 0.4981061 0.3773757), wk = 0.0029586 k( 235) = ( 0.2810457 0.4867855 0.3773757), wk = 0.0029586 k( 236) = ( 0.2745098 0.4754649 0.3773757), wk = 0.0029586 k( 237) = ( 0.2679739 0.4641443 0.3773757), wk = 0.0029586 k( 238) = ( 0.2614379 0.4528237 0.3773757), wk = 0.0029586 k( 239) = ( 0.2549020 0.4415031 0.3773757), wk = 0.0029586 k( 240) = ( 0.2483660 0.4301825 0.3773757), wk = 0.0029586 k( 241) = ( 0.2418301 0.4188620 0.3773757), wk = 0.0029586 k( 242) = ( 0.2352941 0.4075414 0.3773757), wk = 0.0029586 k( 243) = ( 0.2287582 0.3962208 0.3773757), wk = 0.0029586 k( 244) = ( 0.2222222 0.3849002 0.3773757), wk = 0.0029586 k( 245) = ( 0.2156863 0.3735796 0.3773757), wk = 0.0029586 k( 246) = ( 0.2091503 0.3622590 0.3773757), wk = 0.0029586 k( 247) = ( 0.2026144 0.3509384 0.3773757), wk = 0.0029586 k( 248) = ( 0.1960784 0.3396178 0.3773757), wk = 0.0029586 k( 249) = ( 0.1895425 0.3282972 0.3773757), wk = 0.0029586 k( 250) = ( 0.1830065 0.3169766 0.3773757), wk = 0.0029586 k( 251) = ( 0.1764706 0.3056560 0.3773757), wk = 0.0029586 k( 252) = ( 0.1699346 0.2943354 0.3773757), wk = 0.0029586 k( 253) = ( 0.1633987 0.2830148 0.3773757), wk = 0.0029586 k( 254) = ( 0.1568627 0.2716943 0.3773757), wk = 0.0029586 k( 255) = ( 0.1503268 0.2603737 0.3773757), wk = 0.0029586 k( 256) = ( 0.1437908 0.2490531 0.3773757), wk = 0.0029586 k( 257) = ( 0.1372549 0.2377325 0.3773757), wk = 0.0029586 k( 258) = ( 0.1307190 0.2264119 0.3773757), wk = 0.0029586 k( 259) = ( 0.1241830 0.2150913 0.3773757), wk = 0.0029586 k( 260) = ( 0.1176471 0.2037707 0.3773757), wk = 0.0029586 k( 261) = ( 0.1111111 0.1924501 0.3773757), wk = 0.0029586 k( 262) = ( 0.1045752 0.1811295 0.3773757), wk = 0.0029586 k( 263) = ( 0.0980392 0.1698089 0.3773757), wk = 0.0029586 k( 264) = ( 0.0915033 0.1584883 0.3773757), wk = 0.0029586 k( 265) = ( 0.0849673 0.1471677 0.3773757), wk = 0.0029586 k( 266) = ( 0.0784314 0.1358471 0.3773757), wk = 0.0029586 k( 267) = ( 0.0718954 0.1245265 0.3773757), wk = 0.0029586 k( 268) = ( 0.0653595 0.1132059 0.3773757), wk = 0.0029586 k( 269) = ( 0.0588235 0.1018853 0.3773757), wk = 0.0029586 k( 270) = ( 0.0522876 0.0905647 0.3773757), wk = 0.0029586 k( 271) = ( 0.0457516 0.0792441 0.3773757), wk = 0.0029586 k( 272) = ( 0.0392157 0.0679236 0.3773757), wk = 0.0029586 k( 273) = ( 0.0326797 0.0566030 0.3773757), wk = 0.0029586 k( 274) = ( 0.0261438 0.0452824 0.3773757), wk = 0.0029586 k( 275) = ( 0.0196078 0.0339618 0.3773757), wk = 0.0029586 k( 276) = ( 0.0130719 0.0226412 0.3773757), wk = 0.0029586 k( 277) = ( 0.0065359 0.0113206 0.3773757), wk = 0.0029586 k( 278) = ( 0.0000000 0.0000000 0.3773757), wk = 0.0029586 k( 279) = ( 0.5000000 0.2886751 0.3773757), wk = 0.0029586 k( 280) = ( 0.5000000 0.2886751 0.3643628), wk = 0.0029586 k( 281) = ( 0.5000000 0.2886751 0.3513498), wk = 0.0029586 k( 282) = ( 0.5000000 0.2886751 0.3383369), wk = 0.0029586 k( 283) = ( 0.5000000 0.2886751 0.3253239), wk = 0.0029586 k( 284) = ( 0.5000000 0.2886751 0.3123109), wk = 0.0029586 k( 285) = ( 0.5000000 0.2886751 0.2992980), wk = 0.0029586 k( 286) = ( 0.5000000 0.2886751 0.2862850), wk = 0.0029586 k( 287) = ( 0.5000000 0.2886751 0.2732721), wk = 0.0029586 k( 288) = ( 0.5000000 0.2886751 0.2602591), wk = 0.0029586 k( 289) = ( 0.5000000 0.2886751 0.2472462), wk = 0.0029586 k( 290) = ( 0.5000000 0.2886751 0.2342332), wk = 0.0029586 k( 291) = ( 0.5000000 0.2886751 0.2212203), wk = 0.0029586 k( 292) = ( 0.5000000 0.2886751 0.2082073), wk = 0.0029586 k( 293) = ( 0.5000000 0.2886751 0.1951943), wk = 0.0029586 k( 294) = ( 0.5000000 0.2886751 0.1821814), wk = 0.0029586 k( 295) = ( 0.5000000 0.2886751 0.1691684), wk = 0.0029586 k( 296) = ( 0.5000000 0.2886751 0.1561555), wk = 0.0029586 k( 297) = ( 0.5000000 0.2886751 0.1431425), wk = 0.0029586 k( 298) = ( 0.5000000 0.2886751 0.1301296), wk = 0.0029586 k( 299) = ( 0.5000000 0.2886751 0.1171166), wk = 0.0029586 k( 300) = ( 0.5000000 0.2886751 0.1041036), wk = 0.0029586 k( 301) = ( 0.5000000 0.2886751 0.0910907), wk = 0.0029586 k( 302) = ( 0.5000000 0.2886751 0.0780777), wk = 0.0029586 k( 303) = ( 0.5000000 0.2886751 0.0650648), wk = 0.0029586 k( 304) = ( 0.5000000 0.2886751 0.0520518), wk = 0.0029586 k( 305) = ( 0.5000000 0.2886751 0.0390389), wk = 0.0029586 k( 306) = ( 0.5000000 0.2886751 0.0260259), wk = 0.0029586 k( 307) = ( 0.5000000 0.2886751 0.0130130), wk = 0.0029586 k( 308) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 309) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 310) = ( 0.3333333 0.5773503 0.0130130), wk = 0.0029586 k( 311) = ( 0.3333333 0.5773503 0.0260259), wk = 0.0029586 k( 312) = ( 0.3333333 0.5773503 0.0390389), wk = 0.0029586 k( 313) = ( 0.3333333 0.5773503 0.0520518), wk = 0.0029586 k( 314) = ( 0.3333333 0.5773503 0.0650648), wk = 0.0029586 k( 315) = ( 0.3333333 0.5773503 0.0780777), wk = 0.0029586 k( 316) = ( 0.3333333 0.5773503 0.0910907), wk = 0.0029586 k( 317) = ( 0.3333333 0.5773503 0.1041036), wk = 0.0029586 k( 318) = ( 0.3333333 0.5773503 0.1171166), wk = 0.0029586 k( 319) = ( 0.3333333 0.5773503 0.1301296), wk = 0.0029586 k( 320) = ( 0.3333333 0.5773503 0.1431425), wk = 0.0029586 k( 321) = ( 0.3333333 0.5773503 0.1561555), wk = 0.0029586 k( 322) = ( 0.3333333 0.5773503 0.1691684), wk = 0.0029586 k( 323) = ( 0.3333333 0.5773503 0.1821814), wk = 0.0029586 k( 324) = ( 0.3333333 0.5773503 0.1951943), wk = 0.0029586 k( 325) = ( 0.3333333 0.5773503 0.2082073), wk = 0.0029586 k( 326) = ( 0.3333333 0.5773503 0.2212203), wk = 0.0029586 k( 327) = ( 0.3333333 0.5773503 0.2342332), wk = 0.0029586 k( 328) = ( 0.3333333 0.5773503 0.2472462), wk = 0.0029586 k( 329) = ( 0.3333333 0.5773503 0.2602591), wk = 0.0029586 k( 330) = ( 0.3333333 0.5773503 0.2732721), wk = 0.0029586 k( 331) = ( 0.3333333 0.5773503 0.2862850), wk = 0.0029586 k( 332) = ( 0.3333333 0.5773503 0.2992980), wk = 0.0029586 k( 333) = ( 0.3333333 0.5773503 0.3123109), wk = 0.0029586 k( 334) = ( 0.3333333 0.5773503 0.3253239), wk = 0.0029586 k( 335) = ( 0.3333333 0.5773503 0.3383369), wk = 0.0029586 k( 336) = ( 0.3333333 0.5773503 0.3513498), wk = 0.0029586 k( 337) = ( 0.3333333 0.5773503 0.3643628), wk = 0.0029586 k( 338) = ( 0.3333333 0.5773503 0.3773757), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0227273 0.0000000 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0029586 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0029586 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0029586 k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0029586 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0029586 k( 14) = ( 0.1477273 0.0000000 -0.0000000), wk = 0.0029586 k( 15) = ( 0.1590909 0.0000000 -0.0000000), wk = 0.0029586 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0029586 k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0029586 k( 18) = ( 0.1931818 0.0000000 -0.0000000), wk = 0.0029586 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0029586 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0029586 k( 21) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0029586 k( 22) = ( 0.2386364 0.0000000 -0.0000000), wk = 0.0029586 k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0029586 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0029586 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0029586 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0029586 k( 27) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0029586 k( 28) = ( 0.3068182 0.0000000 -0.0000000), wk = 0.0029586 k( 29) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0029586 k( 30) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0029586 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0029586 k( 32) = ( 0.3522727 0.0000000 -0.0000000), wk = 0.0029586 k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0029586 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0029586 k( 35) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0029586 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0029586 k( 37) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0029586 k( 38) = ( 0.4204545 0.0000000 -0.0000000), wk = 0.0029586 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0029586 k( 40) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0029586 k( 41) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0029586 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0029586 k( 43) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0029586 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0029586 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029586 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029586 k( 47) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0029586 k( 48) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0029586 k( 49) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0029586 k( 50) = ( 0.4743590 0.0512821 -0.0000000), wk = 0.0029586 k( 51) = ( 0.4679487 0.0641026 -0.0000000), wk = 0.0029586 k( 52) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0029586 k( 53) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0029586 k( 54) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0029586 k( 55) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0029586 k( 56) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0029586 k( 57) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0029586 k( 58) = ( 0.4230769 0.1538462 -0.0000000), wk = 0.0029586 k( 59) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029586 k( 60) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0029586 k( 61) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0029586 k( 62) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0029586 k( 63) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0029586 k( 64) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0029586 k( 65) = ( 0.3782051 0.2435897 -0.0000000), wk = 0.0029586 k( 66) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0029586 k( 67) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0029586 k( 68) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0029586 k( 69) = ( 0.3525641 0.2948718 -0.0000000), wk = 0.0029586 k( 70) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0029586 k( 71) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0029586 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029586 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029586 k( 74) = ( 0.3267974 0.3267974 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3202614 0.3202614 -0.0000000), wk = 0.0029586 k( 76) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0029586 k( 77) = ( 0.3071895 0.3071895 -0.0000000), wk = 0.0029586 k( 78) = ( 0.3006536 0.3006536 -0.0000000), wk = 0.0029586 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0029586 k( 80) = ( 0.2875817 0.2875817 -0.0000000), wk = 0.0029586 k( 81) = ( 0.2810457 0.2810458 -0.0000000), wk = 0.0029586 k( 82) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0029586 k( 83) = ( 0.2679739 0.2679739 -0.0000000), wk = 0.0029586 k( 84) = ( 0.2614379 0.2614379 -0.0000000), wk = 0.0029586 k( 85) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0029586 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0029586 k( 87) = ( 0.2418301 0.2418301 -0.0000000), wk = 0.0029586 k( 88) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0029586 k( 89) = ( 0.2287582 0.2287582 -0.0000000), wk = 0.0029586 k( 90) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029586 k( 91) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0029586 k( 92) = ( 0.2091503 0.2091503 -0.0000000), wk = 0.0029586 k( 93) = ( 0.2026144 0.2026144 -0.0000000), wk = 0.0029586 k( 94) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0029586 k( 95) = ( 0.1895425 0.1895425 -0.0000000), wk = 0.0029586 k( 96) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0029586 k( 97) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0029586 k( 98) = ( 0.1699346 0.1699346 -0.0000000), wk = 0.0029586 k( 99) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0029586 k( 100) = ( 0.1568627 0.1568628 0.0000000), wk = 0.0029586 k( 101) = ( 0.1503268 0.1503268 -0.0000000), wk = 0.0029586 k( 102) = ( 0.1437908 0.1437909 -0.0000000), wk = 0.0029586 k( 103) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0029586 k( 104) = ( 0.1307190 0.1307190 -0.0000000), wk = 0.0029586 k( 105) = ( 0.1241830 0.1241830 -0.0000000), wk = 0.0029586 k( 106) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0029586 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029586 k( 108) = ( 0.1045752 0.1045752 -0.0000000), wk = 0.0029586 k( 109) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0029586 k( 110) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0029586 k( 111) = ( 0.0849673 0.0849673 -0.0000000), wk = 0.0029586 k( 112) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0029586 k( 113) = ( 0.0718954 0.0718954 -0.0000000), wk = 0.0029586 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0029586 k( 115) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0029586 k( 116) = ( 0.0522876 0.0522876 -0.0000000), wk = 0.0029586 k( 117) = ( 0.0457516 0.0457516 -0.0000000), wk = 0.0029586 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0029586 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0029586 k( 120) = ( 0.0261438 0.0261438 -0.0000000), wk = 0.0029586 k( 121) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0029586 k( 122) = ( 0.0130719 0.0130719 -0.0000000), wk = 0.0029586 k( 123) = ( 0.0065359 0.0065359 -0.0000000), wk = 0.0029586 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 126) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0029586 k( 127) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0029586 k( 128) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0029586 k( 129) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0029586 k( 131) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0029586 k( 132) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 156) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0029586 k( 157) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0029586 k( 158) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0029586 k( 159) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0029586 k( 160) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0029586 k( 161) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0029586 k( 162) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0029586 k( 163) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0029586 k( 164) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0029586 k( 165) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0029586 k( 166) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0029586 k( 167) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0029586 k( 168) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0029586 k( 169) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0029586 k( 170) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0029586 k( 171) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0029586 k( 172) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0029586 k( 173) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0029586 k( 174) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0029586 k( 175) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0029586 k( 176) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0029586 k( 177) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0029586 k( 178) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0029586 k( 179) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0029586 k( 180) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0029586 k( 181) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0029586 k( 182) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0029586 k( 183) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0029586 k( 184) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0029586 k( 185) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0029586 k( 186) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0029586 k( 187) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0029586 k( 188) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0029586 k( 189) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0029586 k( 190) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0029586 k( 191) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0029586 k( 192) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0029586 k( 193) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0029586 k( 194) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0029586 k( 195) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0029586 k( 196) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0029586 k( 197) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0029586 k( 198) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0029586 k( 199) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 200) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 201) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0029586 k( 202) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0029586 k( 203) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0029586 k( 204) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0029586 k( 205) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0029586 k( 206) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0029586 k( 207) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0029586 k( 208) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0029586 k( 209) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0029586 k( 210) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0029586 k( 211) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0029586 k( 212) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0029586 k( 213) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029586 k( 214) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0029586 k( 215) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0029586 k( 216) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0029586 k( 217) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0029586 k( 218) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0029586 k( 219) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0029586 k( 220) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0029586 k( 221) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0029586 k( 222) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0029586 k( 223) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0029586 k( 224) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0029586 k( 225) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0029586 k( 226) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 227) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 228) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0029586 k( 229) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0029586 k( 230) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0029586 k( 231) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0029586 k( 232) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0029586 k( 233) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0029586 k( 234) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0029586 k( 235) = ( 0.2810457 0.2810458 0.5000000), wk = 0.0029586 k( 236) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0029586 k( 237) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0029586 k( 238) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0029586 k( 239) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0029586 k( 240) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0029586 k( 241) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0029586 k( 242) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0029586 k( 243) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0029586 k( 244) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029586 k( 245) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0029586 k( 246) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0029586 k( 247) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0029586 k( 248) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0029586 k( 249) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0029586 k( 250) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0029586 k( 251) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0029586 k( 252) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0029586 k( 253) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0029586 k( 254) = ( 0.1568627 0.1568628 0.5000000), wk = 0.0029586 k( 255) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0029586 k( 256) = ( 0.1437908 0.1437909 0.5000000), wk = 0.0029586 k( 257) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0029586 k( 258) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0029586 k( 259) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0029586 k( 260) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0029586 k( 261) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029586 k( 262) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0029586 k( 263) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0029586 k( 264) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0029586 k( 265) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0029586 k( 266) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0029586 k( 267) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0029586 k( 268) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0029586 k( 269) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0029586 k( 270) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0029586 k( 271) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0029586 k( 272) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0029586 k( 273) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0029586 k( 274) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0029586 k( 275) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0029586 k( 276) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0029586 k( 277) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0029586 k( 278) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 279) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 280) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0029586 k( 281) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0029586 k( 282) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0029586 k( 283) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0029586 k( 284) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0029586 k( 285) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0029586 k( 286) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0029586 k( 287) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0029586 k( 288) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0029586 k( 289) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0029586 k( 290) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0029586 k( 291) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0029586 k( 292) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0029586 k( 293) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0029586 k( 294) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0029586 k( 295) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0029586 k( 296) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0029586 k( 297) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0029586 k( 298) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0029586 k( 299) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0029586 k( 300) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0029586 k( 301) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0029586 k( 302) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0029586 k( 303) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0029586 k( 304) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0029586 k( 305) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0029586 k( 306) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0029586 k( 307) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0029586 k( 308) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029586 k( 309) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029586 k( 310) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0029586 k( 311) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0029586 k( 312) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0029586 k( 313) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0029586 k( 314) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0029586 k( 315) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0029586 k( 316) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0029586 k( 317) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0029586 k( 318) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0029586 k( 319) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0029586 k( 320) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0029586 k( 321) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0029586 k( 322) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0029586 k( 323) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0029586 k( 324) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0029586 k( 325) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0029586 k( 326) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0029586 k( 327) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0029586 k( 328) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0029586 k( 329) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0029586 k( 330) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0029586 k( 331) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0029586 k( 332) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0029586 k( 333) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0029586 k( 334) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0029586 k( 335) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0029586 k( 336) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0029586 k( 337) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0029586 k( 338) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 Dense grid: 82929 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 19255 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 152, 38) NL pseudopotentials 0.16 Mb ( 76, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2304) G-vector shells 0.01 Mb ( 1061) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 152, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.16 Mb ( 136, 2, 38) The potential is recalculated from file : ./SbPt.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 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 6.8 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.8 secs Computing kpt #: 18 total cpu time spent up to now is 8.1 secs Computing kpt #: 19 total cpu time spent up to now is 8.4 secs Computing kpt #: 20 total cpu time spent up to now is 8.7 secs Computing kpt #: 21 total cpu time spent up to now is 9.0 secs Computing kpt #: 22 total cpu time spent up to now is 9.3 secs Computing kpt #: 23 total cpu time spent up to now is 9.7 secs Computing kpt #: 24 total cpu time spent up to now is 10.0 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 11.0 secs Computing kpt #: 28 total cpu time spent up to now is 11.3 secs Computing kpt #: 29 total cpu time spent up to now is 11.6 secs Computing kpt #: 30 total cpu time spent up to now is 12.0 secs Computing kpt #: 31 total cpu time spent up to now is 12.3 secs Computing kpt #: 32 total cpu time 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is 23.0 secs Computing kpt #: 64 total cpu time spent up to now is 23.2 secs Computing kpt #: 65 total cpu time spent up to now is 23.4 secs Computing kpt #: 66 total cpu time spent up to now is 23.7 secs Computing kpt #: 67 total cpu time spent up to now is 23.9 secs Computing kpt #: 68 total cpu time spent up to now is 24.1 secs Computing kpt #: 69 total cpu time spent up to now is 24.3 secs Computing kpt #: 70 total cpu time spent up to now is 24.5 secs Computing kpt #: 71 total cpu time spent up to now is 24.8 secs Computing kpt #: 72 total cpu time spent up to now is 25.0 secs Computing kpt #: 73 total cpu time spent up to now is 25.2 secs Computing kpt #: 74 total cpu time spent up to now is 25.4 secs Computing kpt #: 75 total cpu time spent up to now is 25.6 secs Computing kpt #: 76 total cpu time spent up to now is 25.8 secs Computing kpt #: 77 total cpu time spent up to now is 26.1 secs Computing kpt #: 78 total cpu time spent up to now is 26.3 secs Computing kpt #: 79 total cpu time spent up to now is 26.5 secs Computing kpt #: 80 total cpu time spent up to now is 26.7 secs Computing kpt #: 81 total cpu time spent up to now is 26.9 secs Computing kpt #: 82 total cpu time spent up to now is 27.1 secs Computing kpt #: 83 total cpu time spent up to now is 27.4 secs Computing kpt #: 84 total cpu time spent up to now is 27.6 secs Computing kpt #: 85 total cpu time spent up to now is 27.8 secs Computing kpt #: 86 total cpu time spent up to now is 28.0 secs Computing kpt #: 87 total cpu time spent up to now is 28.3 secs Computing kpt #: 88 total cpu time spent up to now is 28.5 secs Computing kpt #: 89 total cpu time spent up to now is 28.7 secs Computing kpt #: 90 total cpu time spent up to now is 29.0 secs Computing kpt #: 91 total cpu time spent up to now is 29.2 secs Computing kpt #: 92 total cpu time spent up to now is 29.4 secs Computing kpt #: 93 total cpu time spent up to now is 29.7 secs Computing kpt #: 94 total cpu time spent up to now is 29.9 secs 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secs Computing kpt #: 172 total cpu time spent up to now is 55.4 secs Computing kpt #: 173 total cpu time spent up to now is 55.7 secs Computing kpt #: 174 total cpu time spent up to now is 55.9 secs Computing kpt #: 175 total cpu time spent up to now is 56.2 secs Computing kpt #: 176 total cpu time spent up to now is 56.5 secs Computing kpt #: 177 total cpu time spent up to now is 56.7 secs Computing kpt #: 178 total cpu time spent up to now is 57.0 secs Computing kpt #: 179 total cpu time spent up to now is 57.2 secs Computing kpt #: 180 total cpu time spent up to now is 57.5 secs Computing kpt #: 181 total cpu time spent up to now is 57.7 secs Computing kpt #: 182 total cpu time spent up to now is 58.0 secs Computing kpt #: 183 total cpu time spent up to now is 58.3 secs Computing kpt #: 184 total cpu time spent up to now is 58.5 secs Computing kpt #: 185 total cpu time spent up to now is 58.8 secs Computing kpt #: 186 total cpu time spent up to now is 59.0 secs Computing kpt #: 187 total cpu time spent up to now is 59.3 secs Computing kpt #: 188 total cpu time spent up to now is 59.5 secs Computing kpt #: 189 total cpu time spent up to now is 59.8 secs Computing kpt #: 190 total cpu time spent up to now is 60.0 secs Computing kpt #: 191 total cpu time spent up to now is 60.3 secs Computing kpt #: 192 total cpu time spent up to now is 60.6 secs Computing kpt #: 193 total cpu time spent up to now is 60.8 secs Computing kpt #: 194 total cpu time spent up to now is 61.1 secs Computing kpt #: 195 total cpu time spent up to now is 61.3 secs Computing kpt #: 196 total cpu time spent up to now is 61.6 secs Computing kpt #: 197 total cpu time spent up to now is 61.8 secs Computing kpt #: 198 total cpu time spent up to now is 62.1 secs Computing kpt #: 199 total cpu time spent up to now is 62.4 secs Computing kpt #: 200 total cpu time spent up to now is 62.6 secs Computing kpt #: 201 total cpu time spent up to now is 63.0 secs Computing kpt #: 202 total cpu time spent up to now is 63.3 secs Computing kpt #: 203 total cpu time spent up to now is 63.6 secs Computing kpt #: 204 total cpu time spent up to now is 64.0 secs Computing kpt #: 205 total cpu time spent up to now is 64.3 secs Computing kpt #: 206 total cpu time spent up to now is 64.6 secs Computing kpt #: 207 total cpu time spent up to now is 64.9 secs Computing kpt #: 208 total cpu time spent up to now is 65.2 secs Computing kpt #: 209 total cpu time spent up to now is 65.5 secs Computing kpt #: 210 total cpu time spent up to now is 65.8 secs Computing kpt #: 211 total cpu time spent up to now is 66.2 secs Computing kpt #: 212 total cpu time spent up to now is 66.5 secs Computing kpt #: 213 total cpu time spent up to now is 66.8 secs Computing kpt #: 214 total cpu time spent up to now is 67.1 secs Computing kpt #: 215 total cpu time spent up to now is 67.4 secs Computing kpt #: 216 total cpu time spent up to now is 67.7 secs Computing kpt #: 217 total cpu time spent up to now is 68.0 secs Computing kpt #: 218 total cpu time spent up to now is 68.3 secs Computing kpt #: 219 total cpu time spent up to now is 68.7 secs Computing kpt #: 220 total cpu time spent up to now is 69.0 secs Computing kpt #: 221 total cpu time spent up to now is 69.3 secs Computing kpt #: 222 total cpu time spent up to now is 69.7 secs Computing kpt #: 223 total cpu time spent up to now is 70.0 secs Computing kpt #: 224 total cpu time spent up to now is 70.5 secs Computing kpt #: 225 total cpu time spent up to now is 70.8 secs Computing kpt #: 226 total cpu time spent up to now is 71.2 secs Computing kpt #: 227 total cpu time spent up to now is 71.5 secs Computing kpt #: 228 total cpu time spent up to now is 71.9 secs Computing kpt #: 229 total cpu time spent up to now is 72.2 secs Computing kpt #: 230 total cpu time spent up to now is 72.6 secs Computing kpt #: 231 total cpu time spent up to now is 72.9 secs Computing kpt #: 232 total cpu time spent up to now is 73.3 secs Computing kpt #: 233 total cpu time spent up to now is 73.6 secs Computing kpt #: 234 total cpu time spent up to now is 73.9 secs Computing kpt #: 235 total cpu time spent up to now is 74.2 secs Computing kpt #: 236 total cpu time spent up to now is 74.5 secs Computing kpt #: 237 total cpu time spent up to now is 74.9 secs Computing kpt #: 238 total cpu time spent up to now is 75.2 secs Computing kpt #: 239 total cpu time spent up to now is 75.5 secs Computing kpt #: 240 total cpu time spent up to now is 75.9 secs Computing kpt #: 241 total cpu time spent up to now is 76.2 secs Computing kpt #: 242 total cpu time spent up to now is 76.5 secs Computing kpt #: 243 total cpu time spent up to now is 76.8 secs Computing kpt #: 244 total cpu time spent up to now is 77.2 secs Computing kpt #: 245 total cpu time spent up to now is 77.8 secs Computing kpt #: 246 total cpu time spent up to now is 78.2 secs Computing kpt #: 247 total cpu time spent up to now is 78.6 secs Computing kpt #: 248 total cpu time spent up to now is 79.0 secs Computing kpt #: 249 total cpu time spent up to now is 79.4 secs Computing kpt #: 250 total cpu time spent up to now is 79.9 secs Computing kpt #: 251 total cpu time spent up to now is 80.3 secs Computing kpt #: 252 total cpu time spent up to now is 80.6 secs Computing kpt #: 253 total cpu time spent up to now is 81.0 secs Computing kpt #: 254 total cpu time spent up to now is 81.4 secs Computing kpt #: 255 total cpu time spent up to now is 81.8 secs Computing kpt #: 256 total cpu time spent up to now is 82.2 secs Computing kpt #: 257 total cpu time spent up to now is 82.6 secs Computing kpt #: 258 total cpu time spent up to now is 82.9 secs Computing kpt #: 259 total cpu time spent up to now is 83.3 secs Computing kpt #: 260 total cpu time spent up to now is 83.7 secs Computing kpt #: 261 total cpu time spent up to now is 84.1 secs Computing kpt #: 262 total cpu time spent up to now is 84.5 secs Computing kpt #: 263 total cpu time spent up to now is 84.9 secs Computing kpt #: 264 total cpu time spent up to now is 85.3 secs Computing kpt #: 265 total cpu time spent up to now is 85.7 secs Computing kpt #: 266 total cpu time spent up to now is 86.1 secs Computing kpt #: 267 total cpu time spent up to now is 86.6 secs Computing kpt #: 268 total cpu time spent up to now is 87.1 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.0 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.8 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.7 secs Computing kpt #: 273 total cpu time spent up to now is 91.1 secs Computing kpt #: 274 total cpu time spent up to now is 91.5 secs Computing kpt #: 275 total cpu time spent up to now is 91.8 secs Computing kpt #: 276 total cpu time spent up to now is 92.2 secs Computing kpt #: 277 total cpu time spent up to now is 92.5 secs Computing kpt #: 278 total cpu time spent up to now is 92.8 secs Computing kpt #: 279 total cpu time spent up to now is 93.1 secs Computing kpt #: 280 total cpu time spent up to now is 93.4 secs Computing kpt #: 281 total cpu time spent up to now is 93.7 secs Computing kpt #: 282 total cpu time spent up to now is 94.0 secs Computing kpt #: 283 total cpu time spent up to now is 94.2 secs Computing kpt #: 284 total cpu time spent up to now is 94.5 secs Computing kpt #: 285 total cpu time spent up to now is 94.8 secs Computing kpt #: 286 total cpu time spent up to now is 95.0 secs Computing kpt #: 287 total cpu time spent up to now is 95.3 secs Computing kpt #: 288 total cpu time spent up to now is 95.6 secs Computing kpt #: 289 total cpu time spent up to now is 95.8 secs Computing kpt #: 290 total cpu time spent up to now is 96.1 secs Computing kpt #: 291 total cpu time spent up to now is 96.3 secs Computing kpt #: 292 total cpu time spent up to now is 96.6 secs Computing kpt #: 293 total cpu time spent up to now is 96.8 secs Computing kpt #: 294 total cpu time spent up to now is 97.1 secs Computing kpt #: 295 total cpu time spent up to now is 97.4 secs Computing kpt #: 296 total cpu time spent up to now is 97.6 secs Computing kpt #: 297 total cpu time spent up to now is 97.9 secs Computing kpt #: 298 total cpu time spent up to now is 98.2 secs Computing kpt #: 299 total cpu time spent up to now is 98.4 secs Computing kpt #: 300 total cpu time spent up to now is 98.7 secs Computing kpt #: 301 total cpu time spent up to now is 99.0 secs Computing kpt #: 302 total cpu time spent up to now is 99.3 secs Computing kpt #: 303 total cpu time spent up to now is 99.6 secs Computing kpt #: 304 total cpu time spent up to now is 100.0 secs Computing kpt #: 305 total cpu time spent up to now is 100.5 secs Computing kpt #: 306 total cpu time spent up to now is 101.4 secs Computing kpt #: 307 total cpu time spent up to now is 101.9 secs Computing kpt #: 308 total cpu time spent up to now is 102.3 secs Computing kpt #: 309 total cpu time spent up to now is 102.5 secs Computing kpt #: 310 total cpu time spent up to now is 102.7 secs Computing kpt #: 311 total cpu time spent up to now is 102.9 secs Computing kpt #: 312 total cpu time spent up to now is 103.2 secs Computing kpt #: 313 total cpu time spent up to now is 103.4 secs Computing kpt #: 314 total cpu time spent up to now is 103.6 secs Computing kpt #: 315 total cpu time spent up to now is 103.8 secs Computing kpt #: 316 total cpu time spent up to now is 104.0 secs Computing kpt #: 317 total cpu time spent up to now is 104.3 secs Computing kpt #: 318 total cpu time spent up to now is 104.5 secs Computing kpt #: 319 total cpu time spent up to now is 104.7 secs Computing kpt #: 320 total cpu time spent up to now is 105.0 secs Computing kpt #: 321 total cpu time spent up to now is 105.2 secs Computing kpt #: 322 total cpu time spent up to now is 105.4 secs Computing kpt #: 323 total cpu time spent up to now is 105.7 secs Computing kpt #: 324 total cpu time spent up to now is 105.9 secs Computing kpt #: 325 total cpu time spent up to now is 106.2 secs Computing kpt #: 326 total cpu time spent up to now is 106.4 secs Computing kpt #: 327 total cpu time spent up to now is 106.6 secs Computing kpt #: 328 total cpu time spent up to now is 106.9 secs Computing kpt #: 329 total cpu time spent up to now is 107.2 secs Computing kpt #: 330 total cpu time spent up to now is 107.4 secs Computing kpt #: 331 total cpu time spent up to now is 107.7 secs Computing kpt #: 332 total cpu time spent up to now is 108.0 secs Computing kpt #: 333 total cpu time spent up to now is 108.3 secs Computing kpt #: 334 total cpu time spent up to now is 108.6 secs Computing kpt #: 335 total cpu time spent up to now is 108.9 secs Computing kpt #: 336 total cpu time spent up to now is 109.2 secs Computing kpt #: 337 total cpu time spent up to now is 109.6 secs Computing kpt #: 338 total cpu time spent up to now is 109.9 secs ethr = 3.33E-08, avg # of iterations = 25.5 total cpu time spent up to now is 109.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2391 PWs) bands (ev): -0.6554 -0.6554 3.2922 3.2922 5.2121 5.2121 6.1311 6.1311 6.1413 6.1413 6.2184 6.2184 7.4784 7.4784 7.8237 7.8237 8.4075 8.4075 9.0983 9.0983 9.9118 9.9118 10.4282 10.4282 11.6353 11.6353 12.6837 12.6837 13.1155 13.1155 14.6706 14.6706 14.7651 14.7651 15.8884 15.8884 16.0516 16.0516 k = 0.0114 0.0066-0.0000 ( 2391 PWs) bands (ev): -0.6538 -0.6538 3.2903 3.2903 5.2140 5.2140 6.1327 6.1327 6.1432 6.1432 6.2181 6.2181 7.4778 7.4778 7.8229 7.8229 8.4068 8.4068 9.0976 9.0976 9.9116 9.9116 10.4277 10.4277 11.6298 11.6298 12.6744 12.6744 13.1145 13.1145 14.6645 14.6645 14.7657 14.7657 15.8907 15.8907 16.0525 16.0525 k = 0.0227 0.0131-0.0000 ( 2395 PWs) bands (ev): -0.6490 -0.6490 3.2845 3.2845 5.2196 5.2196 6.1358 6.1358 6.1504 6.1504 6.2172 6.2172 7.4759 7.4759 7.8206 7.8206 8.4048 8.4048 9.0957 9.0957 9.9109 9.9109 10.4262 10.4262 11.6131 11.6131 12.6472 12.6472 13.1115 13.1115 14.6465 14.6465 14.7679 14.7679 15.8955 15.8955 16.0552 16.0552 k = 0.0341 0.0197-0.0000 ( 2407 PWs) bands (ev): -0.6411 -0.6411 3.2749 3.2749 5.2290 5.2290 6.1388 6.1388 6.1646 6.1646 6.2157 6.2157 7.4728 7.4728 7.8168 7.8168 8.4015 8.4015 9.0925 9.0925 9.9097 9.9097 10.4238 10.4238 11.5850 11.5850 12.6042 12.6042 13.1063 13.1063 14.6179 14.6179 14.7724 14.7724 15.8980 15.8980 16.0603 16.0603 k = 0.0455 0.0262-0.0000 ( 2407 PWs) bands (ev): -0.6299 -0.6299 3.2618 3.2618 5.2421 5.2421 6.1421 6.1421 6.1851 6.1851 6.2136 6.2136 7.4684 7.4684 7.8116 7.8116 8.3967 8.3967 9.0882 9.0882 9.9079 9.9079 10.4205 10.4205 11.5451 11.5451 12.5483 12.5483 13.0989 13.0989 14.5806 14.5806 14.7794 14.7794 15.8953 15.8953 16.0694 16.0694 k = 0.0568 0.0328-0.0000 ( 2409 PWs) bands (ev): -0.6156 -0.6156 3.2452 3.2452 5.2589 5.2589 6.1458 6.1458 6.2104 6.2104 6.2118 6.2118 7.4627 7.4627 7.8051 7.8051 8.3904 8.3904 9.0831 9.0831 9.9057 9.9057 10.4161 10.4161 11.4932 11.4932 12.4830 12.4830 13.0889 13.0889 14.5367 14.5367 14.7888 14.7888 15.8873 15.8873 16.0831 16.0831 k = 0.0682 0.0394-0.0000 ( 2407 PWs) bands (ev): -0.5982 -0.5982 3.2254 3.2254 5.2794 5.2794 6.1502 6.1502 6.2072 6.2072 6.2433 6.2433 7.4555 7.4555 7.7975 7.7975 8.3826 8.3826 9.0773 9.0773 9.9027 9.9027 10.4108 10.4108 11.4291 11.4291 12.4114 12.4114 13.0764 13.0764 14.4873 14.4873 14.8004 14.8004 15.8758 15.8758 16.1003 16.1003 k = 0.0795 0.0459-0.0000 ( 2403 PWs) bands (ev): -0.5776 -0.5776 3.2026 3.2026 5.3036 5.3036 6.1552 6.1552 6.2030 6.2030 6.2801 6.2801 7.4468 7.4468 7.7890 7.7890 8.3731 8.3731 9.0710 9.0710 9.8991 9.8991 10.4044 10.4044 11.3534 11.3534 12.3363 12.3363 13.0611 13.0611 14.4335 14.4335 14.8140 14.8140 15.8627 15.8627 16.1192 16.1192 k = 0.0909 0.0525-0.0000 ( 2411 PWs) bands (ev): -0.5539 -0.5539 3.1772 3.1772 5.3314 5.3314 6.1607 6.1607 6.1979 6.1979 6.3217 6.3217 7.4365 7.4365 7.7799 7.7799 8.3618 8.3618 9.0647 9.0647 9.8946 9.8946 10.3968 10.3968 11.2671 11.2671 12.2597 12.2597 13.0429 13.0429 14.3757 14.3757 14.8291 14.8291 15.8499 15.8499 16.1382 16.1382 k = 0.1023 0.0590-0.0000 ( 2411 PWs) bands (ev): -0.5270 -0.5270 3.1495 3.1495 5.3628 5.3628 6.1667 6.1667 6.1919 6.1919 6.3676 6.3676 7.4243 7.4243 7.7704 7.7704 8.3488 8.3488 9.0585 9.0585 9.8891 9.8891 10.3879 10.3879 11.1718 11.1718 12.1828 12.1828 13.0217 13.0217 14.3144 14.3144 14.8451 14.8451 15.8387 15.8387 16.1555 16.1555 k = 0.1136 0.0656-0.0000 ( 2412 PWs) bands (ev): -0.4971 -0.4971 3.1196 3.1196 5.3978 5.3978 6.1728 6.1728 6.1852 6.1852 6.4175 6.4175 7.4102 7.4102 7.7608 7.7608 8.3339 8.3339 9.0527 9.0527 9.8822 9.8822 10.3773 10.3773 11.0701 11.0701 12.1060 12.1060 12.9973 12.9973 14.2495 14.2495 14.8616 14.8616 15.8301 15.8301 16.1701 16.1701 k = 0.1250 0.0722-0.0000 ( 2406 PWs) bands (ev): -0.4642 -0.4642 3.0879 3.0879 5.4361 5.4361 6.1743 6.1743 6.1823 6.1823 6.4708 6.4708 7.3940 7.3940 7.7515 7.7515 8.3171 8.3171 9.0476 9.0476 9.8738 9.8738 10.3645 10.3645 10.9648 10.9648 12.0293 12.0293 12.9693 12.9693 14.1814 14.1814 14.8777 14.8777 15.8245 15.8245 16.1811 16.1811 k = 0.1364 0.0787-0.0000 ( 2398 PWs) bands (ev): -0.4282 -0.4282 3.0547 3.0547 5.4779 5.4779 6.1656 6.1656 6.1885 6.1885 6.5272 6.5272 7.3756 7.3756 7.7430 7.7430 8.2986 8.2986 9.0434 9.0434 9.8631 9.8631 10.3488 10.3488 10.8594 10.8594 11.9524 11.9524 12.9374 12.9374 14.1102 14.1102 14.8928 14.8928 15.8221 15.8221 16.1883 16.1883 k = 0.1477 0.0853-0.0000 ( 2398 PWs) bands (ev): -0.3892 -0.3892 3.0202 3.0202 5.5230 5.5230 6.1545 6.1545 6.1959 6.1959 6.5861 6.5861 7.3549 7.3549 7.7355 7.7355 8.2783 8.2783 9.0403 9.0403 9.8494 9.8494 10.3288 10.3288 10.7582 10.7582 11.8749 11.8749 12.9015 12.9015 14.0359 14.0359 14.9059 14.9059 15.8231 15.8231 16.1921 16.1921 k = 0.1591 0.0919-0.0000 ( 2400 PWs) bands (ev): -0.3473 -0.3473 2.9847 2.9847 5.5712 5.5712 6.1415 6.1415 6.2036 6.2036 6.6469 6.6469 7.3323 7.3323 7.7294 7.7294 8.2566 8.2566 9.0385 9.0385 9.8316 9.8316 10.3026 10.3026 10.6660 10.6660 11.7964 11.7964 12.8609 12.8609 13.9589 13.9589 14.9161 14.9161 15.8273 15.8273 16.1930 16.1930 k = 0.1705 0.0984-0.0000 ( 2400 PWs) bands (ev): -0.3025 -0.3025 2.9483 2.9483 5.6223 5.6223 6.1264 6.1264 6.2115 6.2115 6.7088 6.7088 7.3079 7.3079 7.7250 7.7250 8.2335 8.2335 9.0380 9.0380 9.8082 9.8082 10.2686 10.2686 10.5877 10.5877 11.7167 11.7167 12.8155 12.8155 13.8793 13.8793 14.9226 14.9226 15.8346 15.8346 16.1917 16.1917 k = 0.1818 0.1050-0.0000 ( 2394 PWs) bands (ev): -0.2548 -0.2548 2.9114 2.9114 5.6763 5.6763 6.1089 6.1089 6.2195 6.2195 6.7706 6.7706 7.2828 7.2828 7.7225 7.7225 8.2095 8.2095 9.0388 9.0388 9.7772 9.7772 10.2268 10.2268 10.5267 10.5267 11.6356 11.6356 12.7647 12.7647 13.7974 13.7974 14.9241 14.9241 15.8449 15.8449 16.1890 16.1890 k = 0.1932 0.1115-0.0000 ( 2414 PWs) bands (ev): -0.2043 -0.2043 2.8740 2.8740 5.7327 5.7327 6.0886 6.0886 6.2277 6.2277 6.8304 6.8304 7.2587 7.2587 7.7222 7.7222 8.1851 8.1851 9.0410 9.0410 9.7368 9.7368 10.1813 10.1813 10.4820 10.4820 11.5531 11.5531 12.7082 12.7082 13.7134 13.7134 14.9199 14.9199 15.8583 15.8583 16.1856 16.1856 k = 0.2045 0.1181-0.0000 ( 2414 PWs) bands (ev): -0.1511 -0.1511 2.8363 2.8363 5.7910 5.7910 6.0655 6.0655 6.2363 6.2363 6.8846 6.8846 7.2391 7.2391 7.7240 7.7240 8.1606 8.1606 9.0444 9.0444 9.6862 9.6862 10.1379 10.1379 10.4497 10.4497 11.4692 11.4692 12.6456 12.6456 13.6275 13.6275 14.9093 14.9093 15.8749 15.8749 16.1820 16.1820 k = 0.2159 0.1247-0.0000 ( 2410 PWs) bands (ev): -0.0951 -0.0951 2.7985 2.7985 5.8503 5.8503 6.0393 6.0393 6.2453 6.2453 6.9273 6.9273 7.2301 7.2301 7.7281 7.7281 8.1368 8.1368 9.0490 9.0490 9.6264 9.6264 10.1009 10.1009 10.4254 10.4254 11.3841 11.3841 12.5766 12.5766 13.5401 13.5401 14.8918 14.8918 15.8948 15.8948 16.1787 16.1787 k = 0.2273 0.1312-0.0000 ( 2410 PWs) bands (ev): -0.0366 -0.0366 2.7608 2.7608 5.9076 5.9076 6.0119 6.0119 6.2553 6.2553 6.9504 6.9504 7.2399 7.2399 7.7343 7.7343 8.1143 8.1143 9.0547 9.0547 9.5600 9.5600 10.0714 10.0714 10.4059 10.4059 11.2979 11.2979 12.5008 12.5008 13.4513 13.4513 14.8676 14.8676 15.9183 15.9183 16.1759 16.1759 k = 0.2386 0.1378-0.0000 ( 2414 PWs) bands (ev): 0.0245 0.0245 2.7231 2.7231 5.9414 5.9414 6.0030 6.0030 6.2672 6.2672 6.9506 6.9506 7.2721 7.2721 7.7424 7.7424 8.0940 8.0940 9.0612 9.0612 9.4903 9.4903 10.0486 10.0486 10.3892 10.3892 11.2111 11.2111 12.4182 12.4182 13.3613 13.3613 14.8373 14.8373 15.9453 15.9453 16.1739 16.1739 k = 0.2500 0.1443-0.0000 ( 2414 PWs) bands (ev): 0.0880 0.0880 2.6856 2.6856 5.9160 5.9160 6.0456 6.0456 6.2827 6.2827 6.9334 6.9334 7.3217 7.3217 7.7522 7.7522 8.0769 8.0769 9.0683 9.0683 9.4206 9.4206 10.0310 10.0310 10.3739 10.3739 11.1239 11.1239 12.3286 12.3286 13.2704 13.2704 14.8019 14.8019 15.9758 15.9758 16.1728 16.1728 k = 0.2614 0.1509-0.0000 ( 2418 PWs) bands (ev): 0.1538 0.1538 2.6484 2.6484 5.8714 5.8714 6.0962 6.0962 6.3048 6.3048 6.9067 6.9067 7.3812 7.3812 7.7632 7.7632 8.0643 8.0643 9.0757 9.0757 9.3532 9.3532 10.0173 10.0173 10.3590 10.3590 11.0370 11.0370 12.2321 12.2321 13.1789 13.1789 14.7627 14.7627 16.0095 16.0095 16.1729 16.1729 k = 0.2727 0.1575-0.0000 ( 2418 PWs) bands (ev): 0.2219 0.2219 2.6114 2.6114 5.8187 5.8187 6.1387 6.1387 6.3374 6.3374 6.8758 6.8758 7.4455 7.4455 7.7749 7.7749 8.0573 8.0573 9.0826 9.0826 9.2904 9.2904 10.0064 10.0064 10.3438 10.3438 10.9509 10.9509 12.1289 12.1289 13.0869 13.0869 14.7210 14.7210 16.0459 16.0459 16.1746 16.1746 k = 0.2841 0.1640-0.0000 ( 2418 PWs) bands (ev): 0.2920 0.2920 2.5748 2.5748 5.7593 5.7593 6.1691 6.1691 6.3828 6.3828 6.8439 6.8439 7.5116 7.5116 7.7869 7.7869 8.0573 8.0573 9.0875 9.0875 9.2344 9.2344 9.9974 9.9974 10.3273 10.3273 10.8665 10.8665 12.0193 12.0193 12.9947 12.9947 14.6782 14.6782 16.0841 16.0841 16.1782 16.1782 k = 0.2955 0.1706-0.0000 ( 2414 PWs) bands (ev): 0.3641 0.3641 2.5386 2.5386 5.6938 5.6938 6.1885 6.1885 6.4386 6.4386 6.8129 6.8129 7.5776 7.5776 7.7990 7.7990 8.0654 8.0654 9.0868 9.0868 9.1895 9.1895 9.9899 9.9899 10.3084 10.3084 10.7851 10.7851 11.9036 11.9036 12.9028 12.9028 14.6355 14.6355 16.1224 16.1224 16.1851 16.1851 k = 0.3068 0.1771-0.0000 ( 2418 PWs) bands (ev): 0.4381 0.4381 2.5026 2.5026 5.6226 5.6226 6.2004 6.2004 6.5005 6.5005 6.7839 6.7839 7.6424 7.6424 7.8116 7.8116 8.0823 8.0823 9.0726 9.0726 9.1636 9.1636 9.9834 9.9834 10.2856 10.2856 10.7081 10.7081 11.7822 11.7822 12.8115 12.8115 14.5940 14.5940 16.1557 16.1557 16.2000 16.2000 k = 0.3182 0.1837-0.0000 ( 2418 PWs) bands (ev): 0.5136 0.5136 2.4669 2.4669 5.5466 5.5466 6.2077 6.2077 6.5642 6.5642 6.7578 6.7578 7.7049 7.7049 7.8257 7.8257 8.1077 8.1077 9.0445 9.0445 9.1574 9.1574 9.9775 9.9775 10.2570 10.2570 10.6378 10.6378 11.6558 11.6558 12.7211 12.7211 14.5542 14.5542 16.1766 16.1766 16.2299 16.2299 k = 0.3295 0.1903-0.0000 ( 2410 PWs) bands (ev): 0.5906 0.5906 2.4313 2.4313 5.4665 5.4665 6.2120 6.2120 6.6257 6.6257 6.7365 6.7365 7.7646 7.7646 7.8429 7.8429 8.1412 8.1412 9.0124 9.0124 9.1608 9.1608 9.9717 9.9717 10.2205 10.2205 10.5767 10.5767 11.5250 11.5250 12.6323 12.6323 14.5169 14.5169 16.1898 16.1898 16.2695 16.2695 k = 0.3409 0.1968-0.0000 ( 2416 PWs) bands (ev): 0.6688 0.6688 2.3959 2.3959 5.3836 5.3836 6.2145 6.2145 6.6726 6.6726 6.7300 6.7300 7.8208 7.8208 7.8650 7.8650 8.1815 8.1815 8.9823 8.9823 9.1676 9.1676 9.9655 9.9655 10.1750 10.1750 10.5265 10.5265 11.3905 11.3905 12.5454 12.5454 14.4822 14.4822 16.2020 16.2020 16.3118 16.3118 k = 0.3523 0.2034-0.0000 ( 2412 PWs) bands (ev): 0.7480 0.7480 2.3604 2.3604 5.2988 5.2988 6.2156 6.2156 6.6765 6.6765 6.7651 6.7651 7.8725 7.8725 7.8948 7.8948 8.2275 8.2275 8.9565 8.9565 9.1756 9.1756 9.9577 9.9577 10.1214 10.1214 10.4874 10.4874 11.2530 11.2530 12.4610 12.4610 14.4504 14.4504 16.2151 16.2151 16.3543 16.3543 k = 0.3636 0.2099-0.0000 ( 2412 PWs) bands (ev): 0.8279 0.8279 2.3248 2.3248 5.2135 5.2135 6.2158 6.2158 6.6638 6.6638 6.8139 6.8139 7.9162 7.9162 7.9371 7.9371 8.2778 8.2778 8.9356 8.9356 9.1837 9.1837 9.9449 9.9449 10.0647 10.0647 10.4580 10.4580 11.1132 11.1132 12.3796 12.3796 14.4215 14.4215 16.2296 16.2296 16.3960 16.3960 k = 0.3750 0.2165-0.0000 ( 2410 PWs) bands (ev): 0.9081 0.9081 2.2889 2.2889 5.1288 5.1288 6.2153 6.2153 6.6502 6.6502 6.8595 6.8595 7.9561 7.9561 7.9888 7.9888 8.3309 8.3309 8.9200 8.9200 9.1914 9.1914 9.9178 9.9178 10.0166 10.0166 10.4359 10.4359 10.9721 10.9721 12.3017 12.3017 14.3955 14.3955 16.2458 16.2458 16.4364 16.4364 k = 0.3864 0.2231-0.0000 ( 2418 PWs) bands (ev): 0.9884 0.9884 2.2524 2.2524 5.0459 5.0459 6.2144 6.2144 6.6378 6.6378 6.8992 6.8992 7.9958 7.9958 8.0468 8.0468 8.3859 8.3859 8.9097 8.9097 9.1985 9.1985 9.8665 9.8665 9.9893 9.9893 10.4191 10.4191 10.8306 10.8306 12.2278 12.2278 14.3724 14.3724 16.2639 16.2639 16.4748 16.4748 k = 0.3977 0.2296-0.0000 ( 2416 PWs) bands (ev): 1.0684 1.0684 2.2151 2.2151 4.9660 4.9660 6.2132 6.2132 6.6269 6.6269 6.9323 6.9323 8.0333 8.0333 8.1129 8.1129 8.4417 8.4417 8.9044 8.9044 9.2045 9.2045 9.7995 9.7995 9.9760 9.9760 10.4059 10.4059 10.6898 10.6898 12.1586 12.1586 14.3520 14.3520 16.2838 16.2838 16.5108 16.5108 k = 0.4091 0.2362-0.0000 ( 2416 PWs) bands (ev): 1.1476 1.1476 2.1769 2.1769 4.8905 4.8905 6.2118 6.2118 6.6174 6.6174 6.9592 6.9592 8.0673 8.0673 8.1876 8.1876 8.4976 8.4976 8.9037 8.9037 9.2090 9.2090 9.7276 9.7276 9.9673 9.9673 10.3951 10.3951 10.5512 10.5512 12.0945 12.0945 14.3341 14.3341 16.3055 16.3055 16.5441 16.5441 k = 0.4205 0.2427-0.0000 ( 2418 PWs) bands (ev): 1.2255 1.2255 2.1376 2.1376 4.8204 4.8204 6.2104 6.2104 6.6092 6.6092 6.9805 6.9805 8.0971 8.0971 8.2700 8.2700 8.5532 8.5532 8.9069 8.9069 9.2112 9.2112 9.6556 9.6556 9.9593 9.9593 10.3830 10.3830 10.4199 10.4199 12.0362 12.0362 14.3187 14.3187 16.3291 16.3291 16.5743 16.5743 k = 0.4318 0.2493-0.0000 ( 2426 PWs) bands (ev): 1.3014 1.3014 2.0971 2.0971 4.7568 4.7568 6.2090 6.2090 6.6024 6.6024 6.9969 6.9969 8.1226 8.1226 8.3588 8.3588 8.6079 8.6079 8.9129 8.9129 9.2099 9.2099 9.5869 9.5869 9.9492 9.9492 10.2852 10.2852 10.3827 10.3827 11.9842 11.9842 14.3056 14.3056 16.3543 16.3543 16.6009 16.6009 k = 0.4432 0.2559-0.0000 ( 2426 PWs) bands (ev): 1.3747 1.3747 2.0553 2.0553 4.7009 4.7009 6.2076 6.2076 6.5968 6.5968 7.0092 7.0092 8.1438 8.1438 8.4520 8.4520 8.6613 8.6613 8.9203 8.9203 9.2029 9.2029 9.5251 9.5251 9.9323 9.9323 10.1709 10.1709 10.3764 10.3764 11.9390 11.9390 14.2948 14.2948 16.3810 16.3810 16.6238 16.6238 k = 0.4545 0.2624-0.0000 ( 2426 PWs) bands (ev): 1.4441 1.4441 2.0128 2.0128 4.6536 4.6536 6.2065 6.2065 6.5923 6.5923 7.0182 7.0182 8.1607 8.1607 8.5473 8.5473 8.7121 8.7121 8.9276 8.9276 9.1863 9.1863 9.4753 9.4753 9.8978 9.8978 10.0822 10.0822 10.3719 10.3719 11.9012 11.9012 14.2860 14.2860 16.4088 16.4088 16.6423 16.6423 k = 0.4659 0.2690-0.0000 ( 2426 PWs) bands (ev): 1.5081 1.5081 1.9706 1.9706 4.6159 4.6159 6.2055 6.2055 6.5888 6.5888 7.0246 7.0246 8.1734 8.1734 8.6418 8.6418 8.7589 8.7589 8.9329 8.9329 9.1565 9.1565 9.4428 9.4428 9.8367 9.8367 10.0324 10.0324 10.3685 10.3685 11.8713 11.8713 14.2793 14.2793 16.4369 16.4369 16.6555 16.6555 k = 0.4773 0.2756-0.0000 ( 2426 PWs) bands (ev): 1.5634 1.5634 1.9313 1.9313 4.5883 4.5883 6.2048 6.2048 6.5864 6.5864 7.0288 7.0288 8.1824 8.1824 8.7313 8.7313 8.7985 8.7985 8.9345 8.9345 9.1140 9.1140 9.4291 9.4291 9.7652 9.7652 10.0111 10.0111 10.3662 10.3662 11.8496 11.8496 14.2746 14.2746 16.4635 16.4635 16.6606 16.6606 k = 0.4886 0.2821-0.0000 ( 2418 PWs) bands (ev): 1.6038 1.6038 1.9005 1.9005 4.5716 4.5716 6.2044 6.2044 6.5850 6.5850 7.0312 7.0312 8.1876 8.1876 8.8075 8.8075 8.8265 8.8265 8.9305 8.9305 9.0687 9.0687 9.4287 9.4287 9.7087 9.7087 10.0025 10.0025 10.3647 10.3647 11.8365 11.8365 14.2718 14.2718 16.4847 16.4847 16.6531 16.6532 k = 0.5000 0.2887-0.0000 ( 2414 PWs) bands (ev): 1.6195 1.6195 1.8882 1.8882 4.5660 4.5660 6.2042 6.2042 6.5845 6.5845 7.0320 7.0320 8.1894 8.1894 8.8368 8.8368 8.8446 8.8446 8.9244 8.9244 9.0460 9.0460 9.4308 9.4308 9.6868 9.6868 10.0002 10.0002 10.3643 10.3643 11.8321 11.8321 14.2709 14.2709 16.4934 16.4934 16.6464 16.6464 k = 0.5000 0.2887-0.0000 ( 2414 PWs) bands (ev): 1.6195 1.6195 1.8882 1.8882 4.5660 4.5660 6.2042 6.2042 6.5845 6.5845 7.0320 7.0320 8.1894 8.1894 8.8368 8.8368 8.8446 8.8446 8.9244 8.9244 9.0460 9.0460 9.4308 9.4308 9.6868 9.6868 10.0002 10.0002 10.3643 10.3643 11.8321 11.8321 14.2709 14.2709 16.4934 16.4934 16.6464 16.6464 k = 0.4936 0.2998-0.0000 ( 2412 PWs) bands (ev): 1.6206 1.6206 1.8884 1.8884 4.5659 4.5659 6.2034 6.2034 6.5838 6.5838 7.0332 7.0332 8.1869 8.1869 8.8284 8.8284 8.8402 8.8402 8.9046 8.9046 9.0747 9.0747 9.4332 9.4332 9.6890 9.6890 10.0006 10.0006 10.3651 10.3651 11.8374 11.8374 14.2673 14.2673 16.4054 16.4054 16.6579 16.6579 k = 0.4872 0.3109-0.0000 ( 2422 PWs) bands (ev): 1.6242 1.6242 1.8890 1.8890 4.5656 4.5656 6.2008 6.2008 6.5816 6.5816 7.0368 7.0368 8.1795 8.1795 8.7835 8.7835 8.8468 8.8468 8.8755 8.8755 9.1308 9.1308 9.4396 9.4396 9.6959 9.6959 10.0018 10.0018 10.3675 10.3675 11.8532 11.8532 14.2567 14.2567 16.2534 16.2534 16.6679 16.6679 k = 0.4808 0.3220-0.0000 ( 2430 PWs) bands (ev): 1.6301 1.6301 1.8900 1.8900 4.5651 4.5651 6.1966 6.1966 6.5779 6.5779 7.0428 7.0428 8.1670 8.1670 8.7235 8.7235 8.8268 8.8268 8.8776 8.8776 9.1922 9.1922 9.4484 9.4484 9.7077 9.7077 10.0040 10.0040 10.3712 10.3712 11.8791 11.8791 14.2385 14.2385 16.0889 16.0889 16.6675 16.6675 k = 0.4744 0.3331-0.0000 ( 2426 PWs) bands (ev): 1.6383 1.6383 1.8914 1.8914 4.5643 4.5643 6.1908 6.1908 6.5727 6.5727 7.0513 7.0513 8.1488 8.1488 8.6590 8.6590 8.7872 8.7872 8.9017 8.9017 9.2526 9.2526 9.4578 9.4578 9.7247 9.7247 10.0077 10.0077 10.3760 10.3760 11.9142 11.9142 14.2123 14.2123 15.9208 15.9208 16.5795 16.5795 k = 0.4679 0.3442-0.0000 ( 2426 PWs) bands (ev): 1.6488 1.6488 1.8933 1.8933 4.5631 4.5631 6.1836 6.1836 6.5658 6.5658 7.0620 7.0620 8.1243 8.1243 8.5952 8.5952 8.7428 8.7428 8.9334 8.9334 9.3090 9.3090 9.4665 9.4665 9.7474 9.7474 10.0134 10.0134 10.3816 10.3816 11.9576 11.9576 14.1774 14.1774 15.7520 15.7520 16.4376 16.4376 k = 0.4615 0.3553-0.0000 ( 2424 PWs) bands (ev): 1.6614 1.6614 1.8955 1.8955 4.5616 4.5616 6.1751 6.1751 6.5572 6.5572 7.0751 7.0751 8.0927 8.0927 8.5347 8.5347 8.6964 8.6964 8.9710 8.9710 9.3592 9.3592 9.4739 9.4739 9.7753 9.7753 10.0225 10.0225 10.3877 10.3877 12.0081 12.0081 14.1329 14.1329 15.5837 15.5837 16.2882 16.2882 k = 0.4551 0.3664-0.0000 ( 2428 PWs) bands (ev): 1.6760 1.6760 1.8982 1.8982 4.5595 4.5595 6.1655 6.1655 6.5467 6.5467 7.0903 7.0903 8.0533 8.0533 8.4794 8.4794 8.6504 8.6504 9.0135 9.0135 9.4016 9.4016 9.4800 9.4800 9.8068 9.8068 10.0371 10.0371 10.3941 10.3941 12.0643 12.0643 14.0780 14.0780 15.4164 15.4164 16.1429 16.1429 k = 0.4487 0.3775-0.0000 ( 2428 PWs) bands (ev): 1.6926 1.6926 1.9013 1.9013 4.5567 4.5567 6.1550 6.1550 6.5343 6.5343 7.1077 7.1077 8.0062 8.0062 8.4301 8.4301 8.6064 8.6064 9.0602 9.0602 9.4349 9.4349 9.4856 9.4856 9.8386 9.8386 10.0602 10.0602 10.4008 10.4008 12.1251 12.1251 14.0120 14.0120 15.2505 15.2505 16.0069 16.0069 k = 0.4423 0.3886-0.0000 ( 2432 PWs) bands (ev): 1.7110 1.7110 1.9050 1.9050 4.5531 4.5531 6.1437 6.1437 6.5199 6.5199 7.1270 7.1270 7.9525 7.9525 8.3865 8.3865 8.5660 8.5660 9.1104 9.1104 9.4573 9.4573 9.4932 9.4932 9.8664 9.8664 10.0951 10.0951 10.4079 10.4079 12.1889 12.1889 13.9344 13.9344 15.0860 15.0860 15.8832 15.8832 k = 0.4359 0.3997-0.0000 ( 2428 PWs) bands (ev): 1.7309 1.7309 1.9091 1.9091 4.5486 4.5486 6.1320 6.1320 6.5032 6.5032 7.1480 7.1480 7.8941 7.8941 8.3473 8.3473 8.5305 8.5305 9.1631 9.1631 9.4678 9.4678 9.5053 9.5053 9.8872 9.8872 10.1428 10.1428 10.4161 10.4161 12.2546 12.2546 13.8453 13.8453 14.9231 14.9231 15.7731 15.7731 k = 0.4295 0.4108-0.0000 ( 2432 PWs) bands (ev): 1.7521 1.7521 1.9139 1.9139 4.5429 4.5429 6.1200 6.1200 6.4843 6.4843 7.1705 7.1705 7.8334 7.8334 8.3109 8.3109 8.5006 8.5006 9.2174 9.2174 9.4706 9.4706 9.5191 9.5191 9.9012 9.9012 10.2005 10.2005 10.4268 10.4268 12.3210 12.3210 13.7451 13.7451 14.7624 14.7624 15.6771 15.6771 k = 0.4231 0.4219-0.0000 ( 2428 PWs) bands (ev): 1.7743 1.7743 1.9193 1.9193 4.5360 4.5360 6.1079 6.1079 6.4631 6.4631 7.1942 7.1942 7.7728 7.7728 8.2763 8.2763 8.4767 8.4767 9.2722 9.2722 9.4704 9.4704 9.5322 9.5322 9.9100 9.9100 10.2616 10.2616 10.4435 10.4435 12.3869 12.3869 13.6347 13.6347 14.6041 14.6041 15.5948 15.5948 k = 0.4167 0.4330-0.0000 ( 2422 PWs) bands (ev): 1.7972 1.7972 1.9256 1.9256 4.5277 4.5277 6.0960 6.0960 6.4399 6.4399 7.2185 7.2185 7.7144 7.7144 8.2429 8.2429 8.4584 8.4584 9.3255 9.3255 9.4689 9.4689 9.5448 9.5448 9.9154 9.9154 10.3155 10.3155 10.4744 10.4744 12.4515 12.4515 13.5156 13.5156 14.4491 14.4491 15.5252 15.5252 k = 0.4103 0.4441-0.0000 ( 2428 PWs) bands (ev): 1.8201 1.8201 1.9329 1.9329 4.5179 4.5179 6.0843 6.0843 6.4148 6.4148 7.2431 7.2431 7.6598 7.6598 8.2109 8.2109 8.4450 8.4450 9.3741 9.3741 9.4679 9.4679 9.5589 9.5589 9.9186 9.9186 10.3514 10.3514 10.5284 10.5284 12.5139 12.5139 13.3893 13.3893 14.2982 14.2982 15.4670 15.4670 k = 0.4038 0.4552-0.0000 ( 2428 PWs) bands (ev): 1.8426 1.8426 1.9415 1.9415 4.5064 4.5064 6.0731 6.0731 6.3882 6.3882 7.2671 7.2671 7.6104 7.6104 8.1807 8.1807 8.4356 8.4356 9.4115 9.4115 9.4702 9.4702 9.5780 9.5780 9.9203 9.9203 10.3703 10.3703 10.6032 10.6032 12.5731 12.5731 13.2576 13.2576 14.1521 14.1521 15.4186 15.4186 k = 0.3974 0.4663-0.0000 ( 2428 PWs) bands (ev): 1.8638 1.8638 1.9519 1.9519 4.4934 4.4934 6.0624 6.0624 6.3607 6.3607 7.2897 7.2897 7.5674 7.5674 8.1529 8.1529 8.4295 8.4295 9.4291 9.4291 9.4802 9.4802 9.6064 9.6064 9.9212 9.9212 10.3800 10.3800 10.6902 10.6902 12.6282 12.6282 13.1229 13.1229 14.0118 14.0118 15.3787 15.3787 k = 0.3910 0.4774-0.0000 ( 2436 PWs) bands (ev): 1.8830 1.8830 1.9642 1.9642 4.4789 4.4789 6.0525 6.0525 6.3330 6.3330 7.3094 7.3094 7.5319 7.5319 8.1279 8.1279 8.4259 8.4259 9.4315 9.4315 9.4922 9.4922 9.6446 9.6446 9.9214 9.9214 10.3854 10.3854 10.7841 10.7841 12.6763 12.6763 12.9887 12.9887 13.8783 13.8783 15.3458 15.3458 k = 0.3846 0.4885-0.0000 ( 2432 PWs) bands (ev): 1.8996 1.8996 1.9784 1.9784 4.4630 4.4630 6.0433 6.0433 6.3060 6.3060 7.3247 7.3247 7.5051 7.5051 8.1063 8.1063 8.4242 8.4242 9.4284 9.4284 9.5003 9.5003 9.6887 9.6887 9.9212 9.9212 10.3884 10.3884 10.8823 10.8823 12.7048 12.7048 12.8690 12.8690 13.7526 13.7526 15.3190 15.3190 k = 0.3782 0.4996-0.0000 ( 2438 PWs) bands (ev): 1.9138 1.9138 1.9942 1.9942 4.4462 4.4462 6.0349 6.0349 6.2802 6.2802 7.3336 7.3336 7.4881 7.4881 8.0884 8.0884 8.4241 8.4241 9.4235 9.4235 9.5048 9.5048 9.7343 9.7343 9.9208 9.9208 10.3901 10.3901 10.9837 10.9837 12.6526 12.6526 12.8259 12.8259 13.6358 13.6358 15.2972 15.2972 k = 0.3718 0.5107-0.0000 ( 2438 PWs) bands (ev): 1.9259 1.9259 2.0102 2.0102 4.4290 4.4290 6.0274 6.0274 6.2567 6.2567 7.3358 7.3358 7.4807 7.4807 8.0744 8.0744 8.4249 8.4249 9.4180 9.4180 9.5070 9.5070 9.7779 9.7779 9.9204 9.9204 10.3910 10.3910 11.0874 11.0874 12.5303 12.5303 12.8494 12.8494 13.5293 13.5293 15.2797 15.2797 k = 0.3654 0.5218-0.0000 ( 2422 PWs) bands (ev): 1.9365 1.9365 2.0254 2.0254 4.4119 4.4119 6.0208 6.0208 6.2360 6.2360 7.3326 7.3326 7.4805 7.4805 8.0644 8.0644 8.4264 8.4264 9.4125 9.4125 9.5080 9.5080 9.8176 9.8176 9.9202 9.9202 10.3913 10.3913 11.1928 11.1928 12.3968 12.3968 12.8816 12.8816 13.4346 13.4346 15.2659 15.2659 k = 0.3590 0.5329-0.0000 ( 2426 PWs) bands (ev): 1.9460 1.9460 2.0387 2.0387 4.3957 4.3957 6.0152 6.0152 6.2188 6.2188 7.3270 7.3270 7.4840 7.4840 8.0580 8.0580 8.4283 8.4283 9.4073 9.4073 9.5084 9.5084 9.8512 9.8512 9.9205 9.9205 10.3914 10.3914 11.2995 11.2995 12.2633 12.2633 12.9114 12.9114 13.3536 13.3536 15.2552 15.2552 k = 0.3526 0.5440-0.0000 ( 2434 PWs) bands (ev): 1.9544 1.9544 2.0491 2.0491 4.3814 4.3814 6.0107 6.0107 6.2053 6.2053 7.3211 7.3211 7.4883 7.4883 8.0548 8.0548 8.4302 8.4302 9.4028 9.4028 9.5085 9.5085 9.8770 9.8770 9.9223 9.9223 10.3912 10.3912 11.4067 11.4067 12.1335 12.1335 12.9357 12.9357 13.2885 13.2885 15.2473 15.2473 k = 0.3462 0.5551-0.0000 ( 2426 PWs) bands (ev): 1.9617 1.9617 2.0561 2.0561 4.3700 4.3700 6.0072 6.0072 6.1957 6.1957 7.3165 7.3165 7.4919 7.4919 8.0539 8.0539 8.4319 8.4319 9.3993 9.3993 9.5087 9.5087 9.8929 9.8929 9.9264 9.9264 10.3910 10.3910 11.5127 11.5127 12.0100 12.0100 12.9523 12.9523 13.2420 13.2420 15.2419 15.2419 k = 0.3397 0.5662-0.0000 ( 2430 PWs) bands (ev): 1.9671 1.9671 2.0596 2.0596 4.3625 4.3625 6.0051 6.0051 6.1901 6.1901 7.3135 7.3135 7.4942 7.4942 8.0543 8.0543 8.4330 8.4330 9.3970 9.3970 9.5090 9.5090 9.8997 9.8997 9.9317 9.9317 10.3908 10.3908 11.6117 11.6117 11.9000 11.9000 12.9603 12.9603 13.2156 13.2156 15.2388 15.2388 k = 0.3333 0.5774-0.0000 ( 2430 PWs) bands (ev): 1.9694 1.9694 2.0604 2.0604 4.3597 4.3597 6.0043 6.0043 6.1882 6.1882 7.3125 7.3125 7.4949 7.4949 8.0547 8.0547 8.4335 8.4335 9.3962 9.3962 9.5091 9.5091 9.9013 9.9013 9.9341 9.9341 10.3908 10.3908 11.6674 11.6674 11.8404 11.8404 12.9619 12.9619 13.2078 13.2078 15.2378 15.2378 k = 0.3333 0.5774-0.0000 ( 2430 PWs) bands (ev): 1.9694 1.9694 2.0604 2.0604 4.3597 4.3597 6.0043 6.0043 6.1882 6.1882 7.3125 7.3125 7.4949 7.4949 8.0547 8.0547 8.4335 8.4335 9.3962 9.3962 9.5091 9.5091 9.9013 9.9013 9.9341 9.9341 10.3908 10.3908 11.6674 11.6674 11.8404 11.8404 12.9619 12.9619 13.2078 13.2078 15.2378 15.2378 k = 0.3268 0.5660-0.0000 ( 2430 PWs) bands (ev): 1.9661 1.9661 2.0604 2.0604 4.3628 4.3628 6.0051 6.0051 6.1901 6.1901 7.3135 7.3135 7.4942 7.4942 8.0538 8.0538 8.4329 8.4329 9.3971 9.3971 9.5088 9.5088 9.8998 9.8998 9.9317 9.9317 10.3909 10.3909 11.6127 11.6127 11.8995 11.8995 12.9622 12.9622 13.2140 13.2140 15.2388 15.2388 k = 0.3203 0.5547-0.0000 ( 2428 PWs) bands (ev): 1.9541 1.9541 2.0622 2.0622 4.3726 4.3726 6.0075 6.0075 6.1954 6.1954 7.3166 7.3166 7.4923 7.4923 8.0504 8.0504 8.4313 8.4313 9.3998 9.3998 9.5072 9.5072 9.8941 9.8941 9.9264 9.9264 10.3912 10.3912 11.5219 11.5219 12.0038 12.0038 12.9667 12.9667 13.2291 13.2291 15.2418 15.2418 k = 0.3137 0.5434-0.0000 ( 2432 PWs) bands (ev): 1.9318 1.9318 2.0672 2.0672 4.3895 4.3895 6.0116 6.0116 6.2039 6.2039 7.3216 7.3216 7.4894 7.4894 8.0435 8.0435 8.4283 8.4283 9.4043 9.4043 9.5030 9.5030 9.8816 9.8816 9.9224 9.9224 10.3919 10.3919 11.4326 11.4326 12.1169 12.1169 12.9787 12.9787 13.2495 13.2495 15.2469 15.2469 k = 0.3072 0.5321-0.0000 ( 2432 PWs) bands (ev): 1.8996 1.8996 2.0755 2.0755 4.4137 4.4137 6.0171 6.0171 6.2153 6.2153 7.3284 7.3284 7.4855 7.4855 8.0321 8.0321 8.4240 8.4240 9.4103 9.4103 9.4947 9.4947 9.8631 9.8631 9.9214 9.9214 10.3930 10.3930 11.3514 11.3514 12.2330 12.2330 12.9995 12.9995 13.2731 13.2731 15.2539 15.2539 k = 0.3007 0.5207-0.0000 ( 2440 PWs) bands (ev): 1.8583 1.8583 2.0862 2.0862 4.4454 4.4454 6.0241 6.0241 6.2295 6.2295 7.3370 7.3370 7.4807 7.4807 8.0158 8.0158 8.4182 8.4182 9.4175 9.4175 9.4800 9.4800 9.8422 9.8422 9.9227 9.9227 10.3947 10.3947 11.2809 11.2809 12.3506 12.3506 13.0293 13.0293 13.2991 13.2991 15.2630 15.2630 k = 0.2941 0.5094-0.0000 ( 2440 PWs) bands (ev): 1.8092 1.8092 2.0988 2.0988 4.4842 4.4842 6.0323 6.0323 6.2463 6.2463 7.3472 7.3472 7.4747 7.4747 7.9946 7.9946 8.4111 8.4111 9.4249 9.4249 9.4570 9.4570 9.8230 9.8230 9.9255 9.9255 10.3972 10.3972 11.2226 11.2226 12.4691 12.4691 13.0675 13.0675 13.3270 13.3270 15.2742 15.2742 k = 0.2876 0.4981-0.0000 ( 2436 PWs) bands (ev): 1.7533 1.7533 2.1130 2.1130 4.5297 4.5297 6.0415 6.0415 6.2654 6.2654 7.3589 7.3589 7.4670 7.4670 7.9689 7.9689 8.4028 8.4028 9.4208 9.4208 9.4350 9.4350 9.8083 9.8083 9.9292 9.9292 10.4006 10.4006 11.1776 11.1776 12.5882 12.5882 13.1130 13.1130 13.3569 13.3569 15.2877 15.2877 k = 0.2810 0.4868-0.0000 ( 2432 PWs) bands (ev): 1.6914 1.6914 2.1284 2.1284 4.5816 4.5816 6.0517 6.0517 6.2866 6.2866 7.3722 7.3722 7.4569 7.4569 7.9396 7.9396 8.3933 8.3933 9.3786 9.3786 9.4391 9.4391 9.8002 9.8002 9.9335 9.9335 10.4052 10.4052 11.1469 11.1469 12.7075 12.7075 13.1643 13.1643 13.3888 13.3888 15.3035 15.3035 k = 0.2745 0.4755-0.0000 ( 2436 PWs) bands (ev): 1.6245 1.6245 2.1451 2.1451 4.6390 4.6390 6.0625 6.0625 6.3100 6.3100 7.3868 7.3868 7.4431 7.4431 7.9079 7.9079 8.3829 8.3829 9.3258 9.3258 9.4418 9.4418 9.7997 9.7997 9.9379 9.9379 10.4111 10.4111 11.1310 11.1310 12.8269 12.8269 13.2201 13.2201 13.4232 13.4232 15.3218 15.3218 k = 0.2680 0.4641-0.0000 ( 2434 PWs) bands (ev): 1.5534 1.5534 2.1628 2.1628 4.7014 4.7014 6.0737 6.0737 6.3352 6.3352 7.4027 7.4027 7.4244 7.4244 7.8757 7.8757 8.3717 8.3717 9.2654 9.2654 9.4408 9.4408 9.8066 9.8066 9.9421 9.9421 10.4182 10.4182 11.1297 11.1297 12.9461 12.9461 13.2786 13.2786 13.4606 13.4606 15.3428 15.3428 k = 0.2614 0.4528-0.0000 ( 2428 PWs) bands (ev): 1.4789 1.4789 2.1816 2.1816 4.7680 4.7680 6.0852 6.0852 6.3623 6.3623 7.3988 7.3988 7.4201 7.4201 7.8450 7.8450 8.3599 8.3599 9.1999 9.1999 9.4353 9.4353 9.8209 9.8209 9.9459 9.9459 10.4266 10.4266 11.1429 11.1429 13.0650 13.0650 13.3384 13.3384 13.5016 13.5016 15.3667 15.3667 k = 0.2549 0.4415-0.0000 ( 2424 PWs) bands (ev): 1.4015 1.4015 2.2015 2.2015 4.8381 4.8381 6.0968 6.0968 6.3910 6.3910 7.3652 7.3652 7.4386 7.4386 7.8177 7.8177 8.3475 8.3475 9.1312 9.1312 9.4254 9.4254 9.8416 9.8416 9.9492 9.9492 10.4363 10.4363 11.1696 11.1696 13.1831 13.1831 13.3977 13.3977 13.5470 13.5470 15.3937 15.3937 k = 0.2484 0.4302-0.0000 ( 2426 PWs) bands (ev): 1.3221 1.3221 2.2225 2.2225 4.9110 4.9110 6.1082 6.1082 6.4212 6.4212 7.3224 7.3224 7.4582 7.4582 7.7952 7.7952 8.3343 8.3343 9.0615 9.0615 9.4116 9.4116 9.8679 9.8679 9.9523 9.9523 10.4472 10.4472 11.2086 11.2086 13.3002 13.3002 13.4553 13.4553 13.5970 13.5970 15.4242 15.4242 k = 0.2418 0.4189-0.0000 ( 2426 PWs) bands (ev): 1.2410 1.2410 2.2445 2.2445 4.9860 4.9860 6.1194 6.1194 6.4527 6.4527 7.2707 7.2707 7.4790 7.4790 7.7778 7.7778 8.3199 8.3199 8.9932 8.9932 9.3944 9.3944 9.8978 9.8978 9.9560 9.9560 10.4595 10.4595 11.2585 11.2585 13.4157 13.4157 13.5109 13.5109 13.6517 13.6517 15.4585 15.4585 k = 0.2353 0.4075-0.0000 ( 2428 PWs) bands (ev): 1.1590 1.1590 2.2675 2.2675 5.0623 5.0623 6.1302 6.1302 6.4855 6.4855 7.2108 7.2108 7.5007 7.5007 7.7651 7.7651 8.3032 8.3032 8.9289 8.9289 9.3749 9.3749 9.9270 9.9270 9.9640 9.9640 10.4735 10.4735 11.3177 11.3177 13.5287 13.5287 13.5647 13.5647 13.7103 13.7103 15.4968 15.4968 k = 0.2288 0.3962-0.0000 ( 2424 PWs) bands (ev): 1.0763 1.0763 2.2916 2.2916 5.1392 5.1392 6.1405 6.1405 6.5192 6.5192 7.1442 7.1442 7.5233 7.5233 7.7561 7.7561 8.2827 8.2827 8.8717 8.8717 9.3537 9.3537 9.9439 9.9439 9.9869 9.9869 10.4897 10.4897 11.3847 11.3847 13.6177 13.6177 13.6376 13.6376 13.7727 13.7727 15.5396 15.5396 k = 0.2222 0.3849-0.0000 ( 2416 PWs) bands (ev): 0.9934 0.9934 2.3168 2.3168 5.2161 5.2161 6.1500 6.1500 6.5537 6.5537 7.0724 7.0724 7.5463 7.5463 7.7499 7.7499 8.2562 8.2562 8.8253 8.8253 9.3315 9.3315 9.9496 9.9496 10.0227 10.0227 10.5086 10.5086 11.4579 11.4579 13.6708 13.6708 13.7386 13.7386 13.8406 13.8406 15.5871 15.5871 k = 0.2157 0.3736-0.0000 ( 2420 PWs) bands (ev): 0.9107 0.9107 2.3430 2.3430 5.2923 5.2923 6.1588 6.1588 6.5887 6.5887 6.9971 6.9971 7.5694 7.5694 7.7457 7.7457 8.2217 8.2217 8.7929 8.7929 9.3088 9.3088 9.9526 9.9526 10.0619 10.0619 10.5310 10.5310 11.5359 11.5359 13.7248 13.7248 13.8245 13.8245 13.9195 13.9195 15.6398 15.6398 k = 0.2092 0.3623-0.0000 ( 2424 PWs) bands (ev): 0.8285 0.8285 2.3702 2.3702 5.3672 5.3672 6.1666 6.1666 6.6234 6.6234 6.9198 6.9198 7.5917 7.5917 7.7430 7.7430 8.1785 8.1785 8.7769 8.7769 9.2862 9.2862 9.9549 9.9549 10.1013 10.1013 10.5576 10.5576 11.6175 11.6175 13.7801 13.7801 13.8926 13.8926 14.0108 14.0108 15.6980 15.6980 k = 0.2026 0.3509-0.0000 ( 2426 PWs) bands (ev): 0.7471 0.7471 2.3985 2.3985 5.4401 5.4401 6.1733 6.1733 6.6563 6.6563 6.8433 6.8433 7.6123 7.6123 7.7415 7.7415 8.1275 8.1275 8.7776 8.7776 9.2639 9.2639 9.9573 9.9573 10.1393 10.1393 10.5894 10.5894 11.7016 11.7016 13.8370 13.8370 13.9486 13.9486 14.1076 14.1076 15.7621 15.7621 k = 0.1961 0.3396-0.0000 ( 2422 PWs) bands (ev): 0.6667 0.6667 2.4277 2.4277 5.5105 5.5105 6.1787 6.1787 6.6783 6.6783 6.7771 6.7771 7.6293 7.6293 7.7413 7.7413 8.0717 8.0717 8.7941 8.7941 9.2424 9.2424 9.9600 9.9600 10.1749 10.1749 10.6269 10.6269 11.7871 11.7871 13.8952 13.8952 13.9973 13.9973 14.2045 14.2045 15.8324 15.8324 k = 0.1895 0.3283-0.0000 ( 2420 PWs) bands (ev): 0.5876 0.5876 2.4580 2.4580 5.5779 5.5779 6.1825 6.1825 6.6495 6.6495 6.7620 6.7620 7.6406 7.6406 7.7412 7.7412 8.0163 8.0163 8.8246 8.8246 9.2217 9.2217 9.9631 9.9631 10.2074 10.2074 10.6708 10.6708 11.8730 11.8730 13.9539 13.9539 14.0416 14.0416 14.2990 14.2990 15.9090 15.9090 k = 0.1830 0.3170-0.0000 ( 2420 PWs) bands (ev): 0.5100 0.5100 2.4892 2.4892 5.6419 5.6419 6.1844 6.1844 6.5806 6.5806 6.7878 6.7878 7.6439 7.6439 7.7378 7.7378 7.9691 7.9691 8.8670 8.8670 9.2025 9.2025 9.9667 9.9667 10.2363 10.2363 10.7210 10.7210 11.9587 11.9587 14.0103 14.0103 14.0850 14.0850 14.3897 14.3897 15.9921 15.9921 k = 0.1765 0.3057-0.0000 ( 2420 PWs) bands (ev): 0.4339 0.4339 2.5213 2.5213 5.7020 5.7020 6.1835 6.1835 6.5067 6.5067 6.8206 6.8206 7.6358 7.6358 7.7264 7.7264 7.9401 7.9401 8.9193 8.9193 9.1853 9.1853 9.9711 9.9711 10.2619 10.2619 10.7774 10.7774 12.0433 12.0433 14.0585 14.0585 14.1337 14.1337 14.4758 14.4758 16.0817 16.0817 k = 0.1699 0.2943-0.0000 ( 2424 PWs) bands (ev): 0.3597 0.3597 2.5542 2.5542 5.7580 5.7580 6.1783 6.1783 6.4353 6.4353 6.8539 6.8539 7.6099 7.6099 7.7100 7.7100 7.9340 7.9340 8.9786 8.9786 9.1716 9.1716 9.9765 9.9765 10.2845 10.2845 10.8392 10.8392 12.1262 12.1262 14.0938 14.0938 14.1930 14.1930 14.5565 14.5565 16.1778 16.1778 k = 0.1634 0.2830-0.0000 ( 2432 PWs) bands (ev): 0.2874 0.2874 2.5880 2.5880 5.8097 5.8097 6.1660 6.1660 6.3710 6.3710 6.8861 6.8861 7.5639 7.5639 7.6979 7.6979 7.9452 7.9452 9.0385 9.0385 9.1668 9.1668 9.9830 9.9830 10.3046 10.3046 10.9058 10.9058 12.2070 12.2070 14.1185 14.1185 14.2607 14.2607 14.6313 14.6313 16.2800 16.2800 k = 0.1569 0.2717-0.0000 ( 2428 PWs) bands (ev): 0.2173 0.2173 2.6225 2.6225 5.8566 5.8566 6.1417 6.1417 6.3193 6.3193 6.9156 6.9156 7.5058 7.5058 7.6911 7.6911 7.9665 7.9665 9.0792 9.0792 9.1895 9.1895 9.9910 9.9910 10.3229 10.3229 10.9766 10.9766 12.2850 12.2850 14.1363 14.1363 14.3337 14.3337 14.6995 14.6995 16.3878 16.3878 k = 0.1503 0.2604-0.0000 ( 2424 PWs) bands (ev): 0.1492 0.1492 2.6577 2.6577 5.8984 5.8984 6.1024 6.1024 6.2845 6.2845 6.9408 6.9408 7.4443 7.4443 7.6874 7.6874 7.9930 7.9930 9.0868 9.0868 9.2519 9.2519 10.0010 10.0010 10.3400 10.3400 11.0508 11.0508 12.3599 12.3599 14.1493 14.1493 14.4102 14.4102 14.7608 14.7608 16.5003 16.5003 k = 0.1438 0.2491-0.0000 ( 2428 PWs) bands (ev): 0.0835 0.0835 2.6935 2.6935 5.9327 5.9327 6.0535 6.0535 6.2637 6.2637 6.9588 6.9588 7.3859 7.3859 7.6858 7.6858 8.0223 8.0223 9.0812 9.0812 9.3330 9.3330 10.0139 10.0139 10.3565 10.3565 11.1277 11.1277 12.4315 12.4315 14.1589 14.1589 14.4895 14.4895 14.8148 14.8148 16.6160 16.6160 k = 0.1373 0.2377-0.0000 ( 2424 PWs) bands (ev): 0.0202 0.0202 2.7298 2.7298 5.9445 5.9445 6.0163 6.0163 6.2508 6.2508 6.9655 6.9655 7.3367 7.3367 7.6857 7.6857 8.0529 8.0529 9.0727 9.0727 9.4199 9.4199 10.0307 10.0307 10.3731 10.3731 11.2067 11.2067 12.4995 12.4995 14.1661 14.1661 14.5707 14.5707 14.8613 14.8613 16.7315 16.7315 k = 0.1307 0.2264-0.0000 ( 2420 PWs) bands (ev): -0.0406 -0.0406 2.7665 2.7665 5.9056 5.9056 6.0241 6.0241 6.2417 6.2417 6.9561 6.9561 7.3025 7.3025 7.6871 7.6871 8.0840 8.0840 9.0642 9.0642 9.5070 9.5070 10.0529 10.0529 10.3908 10.3908 11.2874 11.2874 12.5638 12.5638 14.1718 14.1718 14.6532 14.6532 14.9006 14.9006 16.8392 16.8392 k = 0.1242 0.2151-0.0000 ( 2420 PWs) bands (ev): -0.0989 -0.0989 2.8034 2.8034 5.8481 5.8481 6.0470 6.0470 6.2343 6.2343 6.9280 6.9280 7.2862 7.2862 7.6898 7.6898 8.1149 8.1149 9.0566 9.0566 9.5895 9.5895 10.0827 10.0827 10.4108 10.4108 11.3692 11.3692 12.6242 12.6242 14.1769 14.1769 14.7354 14.7354 14.9336 14.9336 16.9199 16.9199 k = 0.1176 0.2038-0.0000 ( 2424 PWs) bands (ev): -0.1545 -0.1545 2.8405 2.8405 5.7886 5.7886 6.0701 6.0701 6.2274 6.2274 6.8841 6.8841 7.2855 7.2855 7.6937 7.6937 8.1452 8.1452 9.0502 9.0502 9.6630 9.6630 10.1213 10.1213 10.4352 10.4352 11.4516 11.4516 12.6807 12.6807 14.1824 14.1824 14.8141 14.8141 14.9635 14.9635 16.9442 16.9442 k = 0.1111 0.1925-0.0000 ( 2424 PWs) bands (ev): -0.2075 -0.2075 2.8776 2.8776 5.7301 5.7301 6.0912 6.0912 6.2208 6.2208 6.8300 6.8300 7.2950 7.2950 7.6989 7.6989 8.1745 8.1745 9.0453 9.0453 9.7236 9.7236 10.1682 10.1682 10.4674 10.4674 11.5344 11.5344 12.7333 12.7333 14.1891 14.1891 14.8801 14.8801 14.9995 14.9995 16.9131 16.9131 k = 0.1046 0.1811-0.0000 ( 2422 PWs) bands (ev): -0.2576 -0.2576 2.9145 2.9145 5.6737 5.6737 6.1100 6.1100 6.2142 6.2142 6.7704 6.7704 7.3101 7.3101 7.7052 7.7052 8.2025 8.2025 9.0420 9.0420 9.7705 9.7705 10.2184 10.2184 10.5125 10.5125 11.6170 11.6170 12.7821 12.7821 14.1978 14.1978 14.9184 14.9184 15.0564 15.0564 16.8540 16.8540 k = 0.0980 0.1698-0.0000 ( 2426 PWs) bands (ev): -0.3050 -0.3050 2.9510 2.9510 5.6199 5.6199 6.1266 6.1266 6.2075 6.2075 6.7086 6.7086 7.3279 7.3279 7.7126 7.7126 8.2291 8.2291 9.0403 9.0403 9.8051 9.8051 10.2644 10.2644 10.5751 10.5751 11.6992 11.6992 12.8271 12.8271 14.2093 14.2093 14.9315 14.9315 15.1320 15.1320 16.7838 16.7838 k = 0.0915 0.1585-0.0000 ( 2420 PWs) bands (ev): -0.3496 -0.3496 2.9870 2.9870 5.5689 5.5689 6.1412 6.1412 6.2008 6.2008 6.6466 6.6466 7.3463 7.3463 7.7209 7.7209 8.2539 8.2539 9.0402 9.0402 9.8304 9.8304 10.3011 10.3011 10.6564 10.6564 11.7809 11.7809 12.8684 12.8684 14.2243 14.2243 14.9311 14.9311 15.2150 15.2150 16.7097 16.7097 k = 0.0850 0.1472-0.0000 ( 2420 PWs) bands (ev): -0.3912 -0.3912 3.0222 3.0222 5.5209 5.5209 6.1537 6.1537 6.1942 6.1942 6.5856 6.5856 7.3646 7.3646 7.7299 7.7299 8.2769 8.2769 9.0415 9.0415 9.8490 9.8490 10.3285 10.3285 10.7523 10.7523 11.8618 11.8618 12.9060 12.9060 14.2434 14.2434 14.9231 14.9231 15.2998 15.2998 16.6347 16.6347 k = 0.0784 0.1358-0.0000 ( 2408 PWs) bands (ev): -0.4299 -0.4299 3.0564 3.0564 5.4761 5.4761 6.1642 6.1642 6.1880 6.1880 6.5265 6.5265 7.3819 7.3819 7.7396 7.7396 8.2980 8.2980 9.0443 9.0443 9.8631 9.8631 10.3490 10.3490 10.8568 10.8568 11.9421 11.9421 12.9401 12.9401 14.2669 14.2669 14.9100 14.9100 15.3840 15.3840 16.5606 16.5606 k = 0.0719 0.1245-0.0000 ( 2410 PWs) bands (ev): -0.4656 -0.4656 3.0894 3.0894 5.4346 5.4346 6.1713 6.1713 6.1839 6.1839 6.4699 6.4699 7.3980 7.3980 7.7496 7.7496 8.3170 8.3170 9.0482 9.0482 9.8739 9.8739 10.3648 10.3648 10.9646 10.9646 12.0218 12.0218 12.9708 12.9708 14.2951 14.2951 14.8937 14.8937 15.4662 15.4662 16.4883 16.4883 k = 0.0654 0.1132-0.0000 ( 2416 PWs) bands (ev): -0.4983 -0.4983 3.1208 3.1208 5.3964 5.3964 6.1704 6.1704 6.1865 6.1865 6.4165 6.4165 7.4127 7.4127 7.7598 7.7598 8.3340 8.3340 9.0531 9.0531 9.8824 9.8824 10.3776 10.3776 11.0714 11.0714 12.1011 12.1011 12.9981 12.9981 14.3280 14.3280 14.8754 14.8754 15.5451 15.5451 16.4183 16.4183 k = 0.0588 0.1019-0.0000 ( 2410 PWs) bands (ev): -0.5280 -0.5280 3.1505 3.1505 5.3617 5.3617 6.1654 6.1654 6.1924 6.1924 6.3667 6.3667 7.4258 7.4258 7.7700 7.7700 8.3490 8.3490 9.0588 9.0588 9.8892 9.8892 10.3881 10.3881 11.1739 11.1739 12.1801 12.1801 13.0222 13.0222 14.3653 14.3653 14.8564 14.8564 15.6196 15.6196 16.3512 16.3512 k = 0.0523 0.0906-0.0000 ( 2406 PWs) bands (ev): -0.5546 -0.5546 3.1781 3.1781 5.3305 5.3305 6.1600 6.1600 6.1981 6.1981 6.3208 6.3208 7.4373 7.4373 7.7798 7.7798 8.3621 8.3621 9.0649 9.0649 9.8947 9.8947 10.3970 10.3970 11.2692 11.2692 12.2587 12.2587 13.0433 13.0433 14.4064 14.4064 14.8375 14.8375 15.6885 15.6885 16.2875 16.2875 k = 0.0458 0.0792-0.0000 ( 2404 PWs) bands (ev): -0.5782 -0.5782 3.2033 3.2033 5.3029 5.3029 6.1547 6.1547 6.2031 6.2031 6.2794 6.2794 7.4473 7.4473 7.7891 7.7891 8.3733 8.3733 9.0712 9.0712 9.8992 9.8992 10.4045 10.4045 11.3553 11.3553 12.3365 12.3365 13.0614 13.0614 14.4502 14.4502 14.8198 14.8198 15.7506 15.7506 16.2279 16.2279 k = 0.0392 0.0679-0.0000 ( 2406 PWs) bands (ev): -0.5986 -0.5986 3.2259 3.2259 5.2789 5.2789 6.1499 6.1499 6.2073 6.2073 6.2426 6.2426 7.4558 7.4558 7.7977 7.7977 8.3827 8.3827 9.0774 9.0774 9.9028 9.9028 10.4109 10.4109 11.4306 11.4306 12.4122 12.4122 13.0766 13.0766 14.4954 14.4954 14.8040 14.8040 15.8043 15.8043 16.1736 16.1736 k = 0.0327 0.0566-0.0000 ( 2410 PWs) bands (ev): -0.6159 -0.6159 3.2455 3.2455 5.2586 5.2586 6.1457 6.1457 6.2103 6.2103 6.2115 6.2115 7.4629 7.4629 7.8052 7.8052 8.3905 8.3905 9.0832 9.0832 9.9057 9.9057 10.4162 10.4162 11.4943 11.4943 12.4839 12.4839 13.0891 13.0891 14.5400 14.5400 14.7906 14.7906 15.8477 15.8477 16.1266 16.1266 k = 0.0261 0.0453-0.0000 ( 2408 PWs) bands (ev): -0.6301 -0.6301 3.2620 3.2620 5.2418 5.2418 6.1420 6.1420 6.1848 6.1848 6.2136 6.2136 7.4685 7.4685 7.8117 7.8117 8.3968 8.3968 9.0883 9.0883 9.9080 9.9080 10.4205 10.4205 11.5458 11.5458 12.5492 12.5492 13.0990 13.0990 14.5819 14.5819 14.7801 14.7801 15.8781 15.8781 16.0899 16.0899 k = 0.0196 0.0340-0.0000 ( 2403 PWs) bands (ev): -0.6412 -0.6412 3.2751 3.2751 5.2288 5.2288 6.1388 6.1388 6.1644 6.1644 6.2157 6.2157 7.4729 7.4729 7.8168 7.8168 8.4015 8.4015 9.0925 9.0925 9.9097 9.9097 10.4239 10.4239 11.5854 11.5854 12.6048 12.6048 13.1064 13.1064 14.6183 14.6183 14.7726 14.7726 15.8932 15.8932 16.0665 16.0665 k = 0.0131 0.0226-0.0000 ( 2395 PWs) bands (ev): -0.6491 -0.6491 3.2846 3.2846 5.2195 5.2195 6.1358 6.1358 6.1504 6.1504 6.2172 6.2172 7.4760 7.4760 7.8206 7.8206 8.4049 8.4049 9.0957 9.0957 9.9109 9.9109 10.4262 10.4262 11.6133 11.6133 12.6475 12.6475 13.1116 13.1116 14.6467 14.6467 14.7679 14.7679 15.8949 15.8949 16.0560 16.0560 k = 0.0065 0.0113-0.0000 ( 2391 PWs) bands (ev): -0.6538 -0.6538 3.2903 3.2903 5.2139 5.2139 6.1327 6.1327 6.1431 6.1431 6.2181 6.2181 7.4778 7.4778 7.8229 7.8229 8.4069 8.4069 9.0976 9.0976 9.9116 9.9116 10.4277 10.4277 11.6298 11.6298 12.6745 12.6745 13.1145 13.1145 14.6645 14.6645 14.7657 14.7657 15.8907 15.8907 16.0525 16.0525 k = 0.0000 0.0000 0.0000 ( 2391 PWs) bands (ev): -0.6554 -0.6554 3.2922 3.2922 5.2121 5.2121 6.1311 6.1311 6.1413 6.1413 6.2184 6.2184 7.4784 7.4784 7.8237 7.8237 8.4075 8.4075 9.0983 9.0983 9.9118 9.9118 10.4282 10.4282 11.6353 11.6353 12.6837 12.6837 13.1155 13.1155 14.6706 14.6706 14.7651 14.7651 15.8884 15.8884 16.0516 16.0516 k = 0.0000 0.0000 0.0000 ( 2391 PWs) bands (ev): -0.6554 -0.6554 3.2922 3.2922 5.2121 5.2121 6.1311 6.1311 6.1413 6.1413 6.2184 6.2184 7.4784 7.4784 7.8237 7.8237 8.4075 8.4075 9.0983 9.0983 9.9118 9.9118 10.4282 10.4282 11.6353 11.6353 12.6837 12.6837 13.1155 13.1155 14.6706 14.6706 14.7651 14.7651 15.8884 15.8884 16.0516 16.0516 k = 0.0000 0.0000 0.0130 ( 2391 PWs) bands (ev): -0.6538 -0.6538 3.2815 3.2815 5.2238 5.2238 6.1323 6.1323 6.1426 6.1426 6.2205 6.2205 7.4787 7.4787 7.8247 7.8247 8.4065 8.4065 9.0944 9.0944 9.9073 9.9073 10.4229 10.4229 11.6429 11.6429 12.6899 12.6899 13.1038 13.1038 14.6806 14.6806 14.7493 14.7493 15.8875 15.8875 16.0498 16.0498 k = 0.0000 0.0000 0.0260 ( 2403 PWs) bands (ev): -0.6491 -0.6491 3.2501 3.2501 5.2582 5.2582 6.1357 6.1357 6.1467 6.1467 6.2270 6.2270 7.4798 7.4798 7.8280 7.8280 8.4035 8.4035 9.0826 9.0826 9.8939 9.8939 10.4075 10.4075 11.6655 11.6655 12.7084 12.7084 13.0695 13.0695 14.7039 14.7039 14.7097 14.7097 15.8848 15.8848 16.0446 16.0446 k = 0.0000 0.0000 0.0390 ( 2403 PWs) bands (ev): -0.6412 -0.6412 3.2000 3.2000 5.3131 5.3131 6.1415 6.1415 6.1534 6.1534 6.2377 6.2377 7.4814 7.4814 7.8335 7.8335 8.3987 8.3987 9.0630 9.0630 9.8725 9.8725 10.3823 10.3823 11.7022 11.7022 12.7384 12.7384 13.0150 13.0150 14.6331 14.6331 14.7556 14.7556 15.8803 15.8803 16.0359 16.0359 k = 0.0000 0.0000 0.0521 ( 2415 PWs) bands (ev): -0.6302 -0.6302 3.1344 3.1344 5.3855 5.3855 6.1495 6.1495 6.1629 6.1629 6.2526 6.2526 7.4836 7.4836 7.8411 7.8411 8.3921 8.3921 9.0359 9.0359 9.8445 9.8445 10.3482 10.3482 11.7514 11.7514 12.7793 12.7793 12.9435 12.9435 14.5425 14.5425 14.8154 14.8154 15.8740 15.8740 16.0236 16.0236 k = 0.0000 0.0000 0.0651 ( 2415 PWs) bands (ev): -0.6160 -0.6160 3.0560 3.0560 5.4722 5.4722 6.1597 6.1597 6.1752 6.1752 6.2717 6.2717 7.4861 7.4861 7.8509 7.8509 8.3839 8.3839 9.0014 9.0014 9.8111 9.8111 10.3062 10.3062 11.8116 11.8116 12.8300 12.8300 12.8583 12.8583 14.4369 14.4369 14.8863 14.8863 15.8659 15.8659 16.0079 16.0079 k = 0.0000 0.0000 0.0781 ( 2415 PWs) bands (ev): -0.5988 -0.5988 2.9679 2.9679 5.5703 5.5703 6.1722 6.1722 6.1902 6.1902 6.2950 6.2950 7.4888 7.4888 7.8629 7.8629 8.3745 8.3745 8.9598 8.9598 9.7736 9.7736 10.2574 10.2574 11.8811 11.8811 12.7621 12.7621 12.8894 12.8894 14.3203 14.3203 14.9657 14.9657 15.8558 15.8558 15.9886 15.9886 k = 0.0000 0.0000 0.0911 ( 2409 PWs) bands (ev): -0.5784 -0.5784 2.8723 2.8723 5.6771 5.6771 6.1870 6.1870 6.2081 6.2081 6.3223 6.3223 7.4913 7.4913 7.8772 7.8772 8.3642 8.3642 8.9117 8.9117 9.7332 9.7332 10.2027 10.2027 11.9581 11.9581 12.6577 12.6577 12.9564 12.9564 14.1958 14.1958 15.0515 15.0515 15.8438 15.8438 15.9657 15.9657 k = 0.0000 0.0000 0.1041 ( 2421 PWs) bands (ev): -0.5548 -0.5548 2.7712 2.7712 5.7902 5.7902 6.2039 6.2039 6.2289 6.2289 6.3534 6.3534 7.4935 7.4935 7.8936 7.8936 8.3533 8.3533 8.8576 8.8576 9.6908 9.6908 10.1433 10.1433 12.0410 12.0410 12.5470 12.5470 13.0298 13.0298 14.0658 14.0658 15.1422 15.1422 15.8298 15.8298 15.9393 15.9393 k = 0.0000 0.0000 0.1171 ( 2421 PWs) bands (ev): -0.5282 -0.5282 2.6662 2.6662 5.9075 5.9075 6.2230 6.2230 6.2531 6.2531 6.3884 6.3884 7.4950 7.4950 7.9122 7.9122 8.3424 8.3424 8.7982 8.7982 9.6471 9.6471 10.0801 10.0801 12.1283 12.1283 12.4317 12.4317 13.1087 13.1087 13.9324 13.9324 15.2365 15.2365 15.8137 15.8137 15.9094 15.9094 k = 0.0000 0.0000 0.1301 ( 2409 PWs) bands (ev): -0.4986 -0.4986 2.5585 2.5585 6.0267 6.0267 6.2443 6.2443 6.2815 6.2815 6.4270 6.4270 7.4952 7.4952 7.9332 7.9332 8.3320 8.3320 8.7341 8.7341 9.6024 9.6024 10.0139 10.0139 12.2180 12.2180 12.3135 12.3135 13.1922 13.1922 13.7976 13.7976 15.3334 15.3334 15.7955 15.7955 15.8763 15.8763 k = 0.0000 0.0000 0.1431 ( 2403 PWs) bands (ev): -0.4658 -0.4658 2.4490 2.4490 6.1439 6.1439 6.2676 6.2676 6.3164 6.3164 6.4691 6.4691 7.4938 7.4938 7.9563 7.9563 8.3227 8.3227 8.6661 8.6661 9.5571 9.5571 9.9453 9.9453 12.1936 12.1936 12.3081 12.3081 13.2795 13.2795 13.6636 13.6636 15.4318 15.4318 15.7751 15.7751 15.8405 15.8405 k = 0.0000 0.0000 0.1562 ( 2385 PWs) bands (ev): -0.4300 -0.4300 2.3385 2.3385 6.2491 6.2491 6.2929 6.2929 6.3668 6.3668 6.5144 6.5144 7.4903 7.4903 7.9819 7.9819 8.3151 8.3151 8.5948 8.5948 9.5113 9.5113 9.8751 9.8751 12.0733 12.0733 12.3956 12.3956 13.3699 13.3699 13.5336 13.5336 15.5292 15.5292 15.7523 15.7523 15.8041 15.8041 k = 0.0000 0.0000 0.1692 ( 2385 PWs) bands (ev): -0.3912 -0.3912 2.2275 2.2275 6.3203 6.3203 6.3233 6.3233 6.4504 6.4504 6.5627 6.5627 7.4841 7.4841 8.0097 8.0097 8.3098 8.3098 8.5210 8.5210 9.4651 9.4651 9.8038 9.8038 11.9536 11.9536 12.4753 12.4753 13.4126 13.4126 13.4626 13.4626 15.6157 15.6157 15.7271 15.7271 15.7769 15.7769 k = 0.0000 0.0000 0.1822 ( 2373 PWs) bands (ev): -0.3494 -0.3494 2.1166 2.1166 6.3496 6.3496 6.3730 6.3730 6.5596 6.5596 6.6137 6.6137 7.4749 7.4749 8.0400 8.0400 8.3076 8.3076 8.4454 8.4454 9.4186 9.4186 9.7317 9.7317 11.8358 11.8358 12.5383 12.5383 13.3097 13.3097 13.5571 13.5571 15.6476 15.6476 15.6994 15.6994 15.8022 15.8022 k = 0.0000 0.0000 0.1952 ( 2379 PWs) bands (ev): -0.3046 -0.3046 2.0061 2.0061 6.3808 6.3808 6.4159 6.4159 6.6671 6.6671 6.6756 6.6756 7.4621 7.4621 8.0728 8.0728 8.3089 8.3089 8.3684 8.3684 9.3718 9.3718 9.6594 9.6594 11.7211 11.7211 12.5693 12.5693 13.2403 13.2403 13.6530 13.6530 15.6154 15.6154 15.6691 15.6691 15.8897 15.8897 k = 0.0000 0.0000 0.2082 ( 2391 PWs) bands (ev): -0.2569 -0.2569 1.8964 1.8964 6.4138 6.4138 6.4581 6.4581 6.7223 6.7223 6.7910 6.7910 7.4456 7.4456 8.1082 8.1082 8.2907 8.2907 8.3142 8.3142 9.3248 9.3248 9.5871 9.5871 11.6106 11.6106 12.5523 12.5523 13.2206 13.2206 13.7496 13.7496 15.5634 15.5634 15.6361 15.6361 15.9948 15.9948 k = 0.0000 0.0000 0.2212 ( 2391 PWs) bands (ev): -0.2062 -0.2062 1.7877 1.7877 6.4485 6.4485 6.5013 6.5013 6.7789 6.7789 6.9031 6.9031 7.4252 7.4252 8.1461 8.1461 8.2129 8.2129 8.3237 8.3237 9.2776 9.2776 9.5150 9.5150 11.5056 11.5056 12.4863 12.4863 13.2517 13.2517 13.8467 13.8467 15.5036 15.5036 15.6003 15.6003 16.1059 16.1059 k = 0.0000 0.0000 0.2342 ( 2391 PWs) bands (ev): -0.1527 -0.1527 1.6803 1.6803 6.4849 6.4849 6.5461 6.5461 6.8363 6.8363 7.0099 7.0099 7.4010 7.4010 8.1355 8.1355 8.1867 8.1867 8.3376 8.3376 9.2303 9.2303 9.4436 9.4436 11.4075 11.4075 12.3871 12.3871 13.3180 13.3180 13.9438 13.9438 15.4382 15.4382 15.5615 15.5615 16.2205 16.2205 k = 0.0000 0.0000 0.2472 ( 2391 PWs) bands (ev): -0.0962 -0.0962 1.5742 1.5742 6.5228 6.5228 6.5925 6.5925 6.8938 6.8938 7.1100 7.1100 7.3730 7.3730 8.0591 8.0591 8.2298 8.2298 8.3559 8.3559 9.1829 9.1829 9.3729 9.3729 11.3177 11.3177 12.2702 12.2702 13.4045 13.4045 14.0406 14.0406 15.3683 15.3683 15.5197 15.5197 16.3379 16.3379 k = 0.0000 0.0000 0.2603 ( 2391 PWs) bands (ev): -0.0370 -0.0370 1.4698 1.4698 6.5623 6.5623 6.6407 6.6407 6.9503 6.9503 7.2021 7.2021 7.3416 7.3416 7.9842 7.9842 8.2753 8.2753 8.3786 8.3786 9.1356 9.1356 9.3032 9.3032 11.2377 11.2377 12.1451 12.1451 13.5018 13.5018 14.1366 14.1366 15.2940 15.2940 15.4747 15.4747 16.4579 16.4579 k = 0.0000 0.0000 0.2733 ( 2391 PWs) bands (ev): 0.0251 0.0251 1.3670 1.3670 6.6030 6.6030 6.6905 6.6905 7.0047 7.0047 7.2849 7.2849 7.3071 7.3071 7.9117 7.9117 8.3230 8.3230 8.4055 8.4055 9.0885 9.0885 9.2347 9.2347 11.1690 11.1690 12.0172 12.0172 13.6053 13.6053 14.2316 14.2316 15.2158 15.2158 15.4266 15.4266 16.5803 16.5803 k = 0.0000 0.0000 0.2863 ( 2391 PWs) bands (ev): 0.0900 0.0900 1.2661 1.2661 6.6451 6.6451 6.7418 6.7418 7.0554 7.0554 7.2697 7.2697 7.3577 7.3577 7.8426 7.8426 8.3723 8.3723 8.4363 8.4363 9.0415 9.0415 9.1674 9.1674 11.1133 11.1133 11.8896 11.8896 13.7122 13.7122 14.3253 14.3253 15.1336 15.1336 15.3752 15.3752 16.7050 16.7050 k = 0.0000 0.0000 0.2993 ( 2391 PWs) bands (ev): 0.1576 0.1576 1.1671 1.1671 6.6882 6.6882 6.7945 6.7945 7.1004 7.1004 7.2301 7.2301 7.4197 7.4197 7.7783 7.7783 8.4228 8.4228 8.4708 8.4708 8.9948 8.9948 9.1016 9.1016 11.0719 11.0719 11.7648 11.7648 13.8209 13.8209 14.4174 14.4174 15.0479 15.0479 15.3205 15.3205 16.8318 16.8318 k = 0.0000 0.0000 0.3123 ( 2391 PWs) bands (ev): 0.2279 0.2279 1.0702 1.0702 6.7324 6.7324 6.8481 6.8481 7.1370 7.1370 7.1884 7.1884 7.4707 7.4707 7.7205 7.7205 8.4736 8.4736 8.5088 8.5088 8.9484 8.9484 9.0373 9.0373 11.0462 11.0462 11.6445 11.6445 13.9303 13.9303 14.5076 14.5076 14.9587 14.9587 15.2625 15.2625 16.9603 16.9603 k = 0.0000 0.0000 0.3253 ( 2391 PWs) bands (ev): 0.3009 0.3009 0.9753 0.9753 6.7774 6.7774 6.9023 6.9023 7.1451 7.1451 7.1619 7.1619 7.5107 7.5107 7.6716 7.6716 8.5243 8.5243 8.5501 8.5501 8.9023 8.9023 8.9747 8.9747 11.0372 11.0372 11.5305 11.5305 14.0399 14.0399 14.5956 14.5956 14.8662 14.8662 15.2011 15.2011 17.0901 17.0901 k = 0.0000 0.0000 0.3383 ( 2379 PWs) bands (ev): 0.3765 0.3765 0.8827 0.8827 6.8231 6.8231 6.9563 6.9563 7.1006 7.1006 7.1716 7.1716 7.5404 7.5404 7.6341 7.6341 8.5744 8.5744 8.5944 8.5944 8.8564 8.8564 8.9139 8.9139 11.0453 11.0453 11.4243 11.4243 14.1489 14.1489 14.6814 14.6814 14.7708 14.7708 15.1363 15.1363 17.2202 17.2202 k = 0.0000 0.0000 0.3513 ( 2380 PWs) bands (ev): 0.4547 0.4547 0.7923 0.7923 6.8693 6.8693 7.0091 7.0091 7.0551 7.0551 7.1642 7.1642 7.5610 7.5610 7.6088 7.6088 8.6234 8.6234 8.6415 8.6415 8.8106 8.8106 8.8550 8.8550 11.0705 11.0705 11.3278 11.3278 14.2569 14.2569 14.6725 14.6725 14.7645 14.7645 15.0683 15.0683 17.3493 17.3493 k = 0.0000 0.0000 0.3644 ( 2380 PWs) bands (ev): 0.5354 0.5354 0.7043 0.7043 6.9158 6.9158 7.0089 7.0089 7.0592 7.0592 7.1406 7.1406 7.5745 7.5745 7.5936 7.5936 8.6713 8.6713 8.6913 8.6913 8.7647 8.7647 8.7982 8.7982 11.1125 11.1125 11.2426 11.2426 14.3637 14.3637 14.5718 14.5718 14.8450 14.8450 14.9970 14.9970 17.4745 17.4745 k = 0.0000 0.0000 0.3774 ( 2374 PWs) bands (ev): 0.6186 0.6186 0.6186 0.6186 6.9624 6.9624 6.9624 6.9624 7.1042 7.1042 7.1042 7.1042 7.5839 7.5839 7.5839 7.5839 8.7183 8.7183 8.7183 8.7183 8.7436 8.7436 8.7436 8.7436 11.1703 11.1703 11.1703 11.1703 14.4687 14.4687 14.4687 14.4687 14.9225 14.9225 14.9225 14.9225 17.5916 17.5916 k = 0.0000 0.0000 0.3774 ( 2374 PWs) bands (ev): 0.6186 0.6186 0.6186 0.6186 6.9624 6.9624 6.9624 6.9624 7.1042 7.1042 7.1042 7.1042 7.5839 7.5839 7.5839 7.5839 8.7183 8.7183 8.7183 8.7183 8.7436 8.7436 8.7436 8.7436 11.1703 11.1703 11.1703 11.1703 14.4687 14.4687 14.4687 14.4687 14.9225 14.9225 14.9225 14.9225 17.5916 17.5916 k = 0.0114 0.0066 0.3774 ( 2374 PWs) bands (ev): 0.6199 0.6199 0.6199 0.6199 6.9605 6.9605 6.9605 6.9605 7.1037 7.1037 7.1037 7.1037 7.5842 7.5842 7.5842 7.5842 8.7142 8.7142 8.7142 8.7142 8.7474 8.7474 8.7474 8.7474 11.1736 11.1736 11.1736 11.1736 14.4606 14.4606 14.4606 14.4606 14.9160 14.9160 14.9160 14.9160 17.5973 17.5973 k = 0.0227 0.0131 0.3774 ( 2380 PWs) bands (ev): 0.6237 0.6237 0.6237 0.6237 6.9545 6.9545 6.9545 6.9545 7.1024 7.1024 7.1024 7.1024 7.5850 7.5850 7.5850 7.5850 8.7053 8.7053 8.7053 8.7053 8.7553 8.7553 8.7553 8.7553 11.1835 11.1835 11.1835 11.1835 14.4362 14.4362 14.4362 14.4362 14.8969 14.8969 14.8969 14.8969 17.6131 17.6131 k = 0.0341 0.0197 0.3774 ( 2384 PWs) bands (ev): 0.6300 0.6300 0.6300 0.6300 6.9443 6.9443 6.9443 6.9443 7.1005 7.1005 7.1005 7.1005 7.5865 7.5865 7.5865 7.5865 8.6948 8.6948 8.6948 8.6948 8.7642 8.7642 8.7642 8.7642 11.1998 11.1998 11.1998 11.1998 14.3954 14.3954 14.3954 14.3954 14.8669 14.8669 14.8669 14.8669 17.6330 17.6330 k = 0.0455 0.0262 0.3774 ( 2388 PWs) bands (ev): 0.6388 0.6388 0.6388 0.6388 6.9297 6.9297 6.9297 6.9297 7.0984 7.0984 7.0984 7.0984 7.5884 7.5884 7.5884 7.5884 8.6835 8.6835 8.6835 8.6835 8.7733 8.7733 8.7733 8.7733 11.2222 11.2222 11.2222 11.2222 14.3384 14.3384 14.3384 14.3384 14.8279 14.8279 14.8279 14.8279 17.6412 17.6412 k = 0.0568 0.0328 0.3774 ( 2392 PWs) bands (ev): 0.6501 0.6501 0.6501 0.6501 6.9106 6.9106 6.9106 6.9106 7.0964 7.0964 7.0964 7.0964 7.5909 7.5909 7.5909 7.5909 8.6719 8.6719 8.6719 8.6719 8.7822 8.7822 8.7822 8.7822 11.2503 11.2503 11.2503 11.2503 14.2656 14.2656 14.2656 14.2656 14.7819 14.7819 14.7819 14.7819 17.6115 17.6115 k = 0.0682 0.0394 0.3774 ( 2396 PWs) bands (ev): 0.6638 0.6638 0.6638 0.6638 6.8870 6.8870 6.8870 6.8870 7.0948 7.0948 7.0948 7.0948 7.5939 7.5939 7.5939 7.5939 8.6600 8.6600 8.6600 8.6600 8.7910 8.7910 8.7910 8.7910 11.2837 11.2837 11.2837 11.2837 14.1783 14.1783 14.1783 14.1783 14.7308 14.7308 14.7308 14.7308 17.5419 17.5419 k = 0.0795 0.0459 0.3774 ( 2398 PWs) bands (ev): 0.6800 0.6800 0.6800 0.6800 6.8591 6.8591 6.8591 6.8591 7.0937 7.0937 7.0937 7.0937 7.5973 7.5973 7.5973 7.5973 8.6478 8.6478 8.6478 8.6478 8.7996 8.7996 8.7996 8.7996 11.3216 11.3216 11.3216 11.3216 14.0781 14.0781 14.0781 14.0781 14.6757 14.6757 14.6757 14.6757 17.4551 17.4551 k = 0.0909 0.0525 0.3774 ( 2398 PWs) bands (ev): 0.6986 0.6986 0.6986 0.6986 6.8272 6.8272 6.8272 6.8272 7.0930 7.0930 7.0930 7.0930 7.6011 7.6011 7.6011 7.6011 8.6356 8.6356 8.6356 8.6356 8.8079 8.8079 8.8079 8.8079 11.3633 11.3633 11.3633 11.3633 13.9673 13.9673 13.9673 13.9673 14.6176 14.6176 14.6176 14.6176 17.3651 17.3651 k = 0.1023 0.0590 0.3774 ( 2402 PWs) bands (ev): 0.7195 0.7195 0.7195 0.7195 6.7917 6.7917 6.7917 6.7917 7.0929 7.0929 7.0929 7.0929 7.6053 7.6053 7.6053 7.6053 8.6232 8.6232 8.6232 8.6232 8.8162 8.8162 8.8162 8.8162 11.4079 11.4079 11.4079 11.4079 13.8484 13.8484 13.8484 13.8484 14.5568 14.5568 14.5568 14.5568 17.2770 17.2770 k = 0.1136 0.0656 0.3774 ( 2402 PWs) bands (ev): 0.7427 0.7427 0.7427 0.7427 6.7529 6.7529 6.7529 6.7529 7.0930 7.0930 7.0930 7.0930 7.6098 7.6098 7.6098 7.6098 8.6108 8.6108 8.6108 8.6108 8.8243 8.8243 8.8243 8.8243 11.4542 11.4542 11.4542 11.4542 13.7240 13.7240 13.7240 13.7240 14.4938 14.4938 14.4938 14.4938 17.1927 17.1927 k = 0.1250 0.0722 0.3774 ( 2406 PWs) bands (ev): 0.7682 0.7682 0.7682 0.7682 6.7112 6.7112 6.7112 6.7112 7.0935 7.0935 7.0935 7.0935 7.6147 7.6147 7.6147 7.6147 8.5984 8.5984 8.5984 8.5984 8.8324 8.8324 8.8324 8.8324 11.5008 11.5008 11.5008 11.5008 13.5970 13.5970 13.5970 13.5970 14.4288 14.4288 14.4288 14.4288 17.1128 17.1128 k = 0.1364 0.0787 0.3774 ( 2410 PWs) bands (ev): 0.7959 0.7959 0.7959 0.7959 6.6671 6.6671 6.6671 6.6671 7.0943 7.0943 7.0943 7.0943 7.6199 7.6199 7.6199 7.6199 8.5860 8.5860 8.5860 8.5860 8.8405 8.8405 8.8405 8.8405 11.5459 11.5459 11.5459 11.5459 13.4704 13.4704 13.4704 13.4704 14.3621 14.3621 14.3621 14.3621 17.0376 17.0376 k = 0.1477 0.0853 0.3774 ( 2402 PWs) bands (ev): 0.8257 0.8257 0.8257 0.8257 6.6209 6.6209 6.6209 6.6209 7.0951 7.0951 7.0951 7.0951 7.6252 7.6252 7.6252 7.6252 8.5737 8.5737 8.5737 8.5737 8.8488 8.8488 8.8488 8.8488 11.5871 11.5871 11.5871 11.5871 13.3473 13.3473 13.3473 13.3473 14.2939 14.2939 14.2939 14.2939 16.9671 16.9671 k = 0.1591 0.0919 0.3774 ( 2410 PWs) bands (ev): 0.8575 0.8575 0.8575 0.8575 6.5730 6.5730 6.5730 6.5730 7.0961 7.0961 7.0961 7.0961 7.6308 7.6308 7.6308 7.6308 8.5614 8.5614 8.5614 8.5614 8.8572 8.8572 8.8572 8.8572 11.6215 11.6215 11.6215 11.6215 13.2315 13.2315 13.2315 13.2315 14.2245 14.2245 14.2245 14.2245 16.9011 16.9011 k = 0.1705 0.0984 0.3774 ( 2412 PWs) bands (ev): 0.8913 0.8913 0.8913 0.8913 6.5237 6.5237 6.5237 6.5237 7.0972 7.0972 7.0972 7.0972 7.6365 7.6365 7.6365 7.6365 8.5493 8.5493 8.5493 8.5493 8.8658 8.8658 8.8658 8.8658 11.6454 11.6454 11.6454 11.6454 13.1275 13.1275 13.1275 13.1275 14.1543 14.1543 14.1543 14.1543 16.8394 16.8394 k = 0.1818 0.1050 0.3774 ( 2404 PWs) bands (ev): 0.9269 0.9269 0.9269 0.9269 6.4732 6.4732 6.4732 6.4732 7.0982 7.0982 7.0982 7.0982 7.6423 7.6423 7.6423 7.6423 8.5374 8.5374 8.5374 8.5374 8.8747 8.8747 8.8747 8.8747 11.6544 11.6544 11.6544 11.6544 13.0400 13.0400 13.0400 13.0400 14.0834 14.0834 14.0834 14.0834 16.7819 16.7819 k = 0.1932 0.1115 0.3774 ( 2406 PWs) bands (ev): 0.9643 0.9643 0.9643 0.9643 6.4220 6.4220 6.4220 6.4220 7.0992 7.0992 7.0992 7.0992 7.6481 7.6481 7.6481 7.6481 8.5256 8.5256 8.5256 8.5256 8.8840 8.8840 8.8840 8.8840 11.6443 11.6443 11.6443 11.6443 12.9736 12.9736 12.9736 12.9736 14.0123 14.0123 14.0123 14.0123 16.7283 16.7283 k = 0.2045 0.1181 0.3774 ( 2410 PWs) bands (ev): 1.0034 1.0034 1.0034 1.0034 6.3703 6.3703 6.3703 6.3703 7.1001 7.1001 7.1001 7.1001 7.6540 7.6540 7.6540 7.6540 8.5141 8.5141 8.5141 8.5141 8.8937 8.8937 8.8937 8.8937 11.6122 11.6122 11.6122 11.6122 12.9316 12.9316 12.9316 12.9316 13.9412 13.9412 13.9412 13.9412 16.6785 16.6785 k = 0.2159 0.1247 0.3774 ( 2410 PWs) bands (ev): 1.0440 1.0440 1.0440 1.0440 6.3182 6.3182 6.3182 6.3182 7.1009 7.1009 7.1009 7.1009 7.6597 7.6597 7.6597 7.6597 8.5029 8.5029 8.5029 8.5029 8.9038 8.9038 8.9038 8.9038 11.5574 11.5574 11.5574 11.5574 12.9146 12.9146 12.9146 12.9146 13.8705 13.8705 13.8705 13.8705 16.6324 16.6324 k = 0.2273 0.1312 0.3774 ( 2406 PWs) bands (ev): 1.0859 1.0859 1.0859 1.0859 6.2661 6.2661 6.2661 6.2661 7.1016 7.1016 7.1016 7.1016 7.6653 7.6653 7.6653 7.6653 8.4920 8.4920 8.4920 8.4920 8.9145 8.9145 8.9145 8.9145 11.4823 11.4823 11.4823 11.4823 12.9203 12.9203 12.9203 12.9203 13.8006 13.8006 13.8006 13.8006 16.5897 16.5897 k = 0.2386 0.1378 0.3774 ( 2416 PWs) bands (ev): 1.1291 1.1291 1.1291 1.1291 6.2142 6.2142 6.2142 6.2142 7.1021 7.1021 7.1021 7.1021 7.6706 7.6706 7.6706 7.6706 8.4815 8.4815 8.4815 8.4815 8.9257 8.9257 8.9257 8.9257 11.3908 11.3908 11.3908 11.3908 12.9448 12.9448 12.9448 12.9448 13.7319 13.7319 13.7319 13.7319 16.5504 16.5504 k = 0.2500 0.1443 0.3774 ( 2420 PWs) bands (ev): 1.1734 1.1734 1.1734 1.1734 6.1625 6.1625 6.1625 6.1625 7.1024 7.1024 7.1024 7.1024 7.6757 7.6757 7.6757 7.6757 8.4714 8.4714 8.4714 8.4714 8.9375 8.9375 8.9375 8.9375 11.2875 11.2875 11.2875 11.2875 12.9830 12.9830 12.9830 12.9830 13.6653 13.6653 13.6653 13.6653 16.5145 16.5145 k = 0.2614 0.1509 0.3774 ( 2420 PWs) bands (ev): 1.2186 1.2186 1.2186 1.2186 6.1114 6.1114 6.1114 6.1114 7.1025 7.1025 7.1025 7.1025 7.6805 7.6805 7.6805 7.6805 8.4618 8.4618 8.4618 8.4618 8.9498 8.9498 8.9498 8.9498 11.1763 11.1763 11.1763 11.1763 13.0303 13.0303 13.0303 13.0303 13.6016 13.6016 13.6016 13.6016 16.4817 16.4817 k = 0.2727 0.1575 0.3774 ( 2412 PWs) bands (ev): 1.2645 1.2645 1.2645 1.2645 6.0610 6.0610 6.0610 6.0610 7.1024 7.1024 7.1024 7.1024 7.6848 7.6848 7.6848 7.6848 8.4528 8.4528 8.4528 8.4528 8.9628 8.9628 8.9628 8.9628 11.0606 11.0606 11.0606 11.0606 13.0818 13.0818 13.0818 13.0818 13.5428 13.5428 13.5428 13.5428 16.4520 16.4520 k = 0.2841 0.1640 0.3774 ( 2416 PWs) bands (ev): 1.3109 1.3109 1.3109 1.3109 6.0115 6.0115 6.0115 6.0115 7.1021 7.1021 7.1021 7.1021 7.6887 7.6887 7.6887 7.6887 8.4443 8.4443 8.4443 8.4443 8.9763 8.9763 8.9763 8.9763 10.9427 10.9427 10.9427 10.9427 13.1313 13.1313 13.1313 13.1313 13.4928 13.4928 13.4928 13.4928 16.4253 16.4253 k = 0.2955 0.1706 0.3774 ( 2416 PWs) bands (ev): 1.3576 1.3576 1.3576 1.3576 5.9630 5.9630 5.9630 5.9630 7.1016 7.1016 7.1016 7.1016 7.6921 7.6921 7.6921 7.6921 8.4365 8.4365 8.4365 8.4365 8.9903 8.9903 8.9903 8.9903 10.8246 10.8246 10.8246 10.8246 13.1690 13.1690 13.1690 13.1690 13.4594 13.4594 13.4594 13.4594 16.4017 16.4017 k = 0.3068 0.1771 0.3774 ( 2416 PWs) bands (ev): 1.4044 1.4044 1.4044 1.4044 5.9156 5.9156 5.9156 5.9156 7.1008 7.1008 7.1008 7.1008 7.6949 7.6949 7.6949 7.6949 8.4294 8.4294 8.4294 8.4294 9.0049 9.0049 9.0049 9.0049 10.7078 10.7078 10.7078 10.7078 13.1814 13.1814 13.1814 13.1814 13.4552 13.4552 13.4552 13.4552 16.3809 16.3809 k = 0.3182 0.1837 0.3774 ( 2418 PWs) bands (ev): 1.4509 1.4509 1.4509 1.4509 5.8696 5.8696 5.8696 5.8696 7.0999 7.0999 7.0999 7.0999 7.6971 7.6971 7.6971 7.6971 8.4231 8.4231 8.4231 8.4231 9.0199 9.0199 9.0199 9.0199 10.5933 10.5933 10.5933 10.5933 13.1639 13.1639 13.1639 13.1639 13.4833 13.4833 13.4833 13.4833 16.3630 16.3630 k = 0.3295 0.1903 0.3774 ( 2414 PWs) bands (ev): 1.4970 1.4970 1.4970 1.4970 5.8251 5.8251 5.8251 5.8251 7.0988 7.0988 7.0988 7.0988 7.6987 7.6987 7.6987 7.6987 8.4176 8.4176 8.4176 8.4176 9.0354 9.0354 9.0354 9.0354 10.4822 10.4822 10.4822 10.4822 13.1275 13.1275 13.1275 13.1275 13.5322 13.5322 13.5322 13.5322 16.3479 16.3479 k = 0.3409 0.1968 0.3774 ( 2422 PWs) bands (ev): 1.5424 1.5424 1.5424 1.5424 5.7822 5.7822 5.7822 5.7822 7.0975 7.0975 7.0975 7.0975 7.6996 7.6996 7.6996 7.6996 8.4129 8.4129 8.4129 8.4129 9.0512 9.0512 9.0512 9.0512 10.3751 10.3751 10.3751 10.3751 13.0832 13.0832 13.0832 13.0832 13.5901 13.5901 13.5901 13.5901 16.3355 16.3355 k = 0.3523 0.2034 0.3774 ( 2422 PWs) bands (ev): 1.5867 1.5867 1.5867 1.5867 5.7411 5.7411 5.7411 5.7411 7.0961 7.0961 7.0961 7.0961 7.7000 7.7000 7.7000 7.7000 8.4090 8.4090 8.4090 8.4090 9.0673 9.0673 9.0673 9.0673 10.2726 10.2726 10.2726 10.2726 13.0366 13.0366 13.0366 13.0366 13.6510 13.6510 13.6510 13.6510 16.3257 16.3257 k = 0.3636 0.2099 0.3774 ( 2418 PWs) bands (ev): 1.6296 1.6296 1.6296 1.6296 5.7019 5.7019 5.7019 5.7019 7.0945 7.0945 7.0945 7.0945 7.6997 7.6997 7.6997 7.6997 8.4060 8.4060 8.4060 8.4060 9.0835 9.0835 9.0835 9.0835 10.1751 10.1751 10.1751 10.1751 12.9901 12.9901 12.9901 12.9901 13.7119 13.7119 13.7119 13.7119 16.3184 16.3184 k = 0.3750 0.2165 0.3774 ( 2422 PWs) bands (ev): 1.6709 1.6709 1.6709 1.6709 5.6649 5.6649 5.6649 5.6649 7.0928 7.0928 7.0928 7.0928 7.6990 7.6990 7.6990 7.6990 8.4038 8.4038 8.4038 8.4038 9.0999 9.0999 9.0999 9.0999 10.0831 10.0831 10.0831 10.0831 12.9452 12.9452 12.9452 12.9452 13.7710 13.7710 13.7710 13.7710 16.3133 16.3133 k = 0.3864 0.2231 0.3774 ( 2426 PWs) bands (ev): 1.7101 1.7101 1.7101 1.7101 5.6303 5.6303 5.6303 5.6303 7.0911 7.0911 7.0911 7.0911 7.6978 7.6978 7.6978 7.6978 8.4024 8.4024 8.4024 8.4024 9.1164 9.1164 9.1164 9.1164 9.9969 9.9969 9.9969 9.9969 12.9027 12.9027 12.9027 12.9027 13.8272 13.8272 13.8272 13.8272 16.3104 16.3104 k = 0.3977 0.2296 0.3774 ( 2426 PWs) bands (ev): 1.7470 1.7470 1.7470 1.7470 5.5981 5.5981 5.5981 5.5981 7.0894 7.0894 7.0894 7.0894 7.6962 7.6962 7.6962 7.6962 8.4017 8.4017 8.4017 8.4017 9.1328 9.1328 9.1328 9.1328 9.9169 9.9169 9.9169 9.9169 12.8631 12.8631 12.8631 12.8631 13.8797 13.8797 13.8797 13.8797 16.3092 16.3092 k = 0.4091 0.2362 0.3774 ( 2434 PWs) bands (ev): 1.7811 1.7811 1.7811 1.7811 5.5686 5.5687 5.5687 5.5687 7.0877 7.0877 7.0877 7.0877 7.6943 7.6943 7.6943 7.6943 8.4017 8.4017 8.4017 8.4017 9.1491 9.1491 9.1491 9.1491 9.8432 9.8432 9.8432 9.8432 12.8267 12.8267 12.8267 12.8267 13.9279 13.9279 13.9279 13.9279 16.3096 16.3096 k = 0.4205 0.2427 0.3774 ( 2436 PWs) bands (ev): 1.8122 1.8122 1.8122 1.8122 5.5421 5.5421 5.5421 5.5421 7.0860 7.0860 7.0860 7.0860 7.6923 7.6923 7.6923 7.6923 8.4021 8.4021 8.4021 8.4021 9.1652 9.1652 9.1652 9.1652 9.7761 9.7761 9.7761 9.7761 12.7940 12.7940 12.7940 12.7940 13.9714 13.9714 13.9714 13.9714 16.3112 16.3112 k = 0.4318 0.2493 0.3774 ( 2430 PWs) bands (ev): 1.8399 1.8399 1.8399 1.8399 5.5186 5.5186 5.5186 5.5186 7.0845 7.0845 7.0845 7.0845 7.6903 7.6903 7.6903 7.6903 8.4029 8.4029 8.4029 8.4029 9.1809 9.1809 9.1809 9.1809 9.7159 9.7159 9.7159 9.7159 12.7651 12.7651 12.7651 12.7651 14.0096 14.0096 14.0096 14.0096 16.3136 16.3136 k = 0.4432 0.2559 0.3774 ( 2426 PWs) bands (ev): 1.8640 1.8640 1.8640 1.8640 5.4983 5.4983 5.4983 5.4983 7.0831 7.0831 7.0831 7.0831 7.6883 7.6883 7.6883 7.6883 8.4039 8.4039 8.4039 8.4039 9.1960 9.1960 9.1960 9.1960 9.6630 9.6630 9.6630 9.6630 12.7403 12.7403 12.7403 12.7403 14.0425 14.0425 14.0425 14.0425 16.3165 16.3165 k = 0.4545 0.2624 0.3774 ( 2430 PWs) bands (ev): 1.8841 1.8841 1.8841 1.8841 5.4815 5.4815 5.4815 5.4815 7.0819 7.0819 7.0819 7.0819 7.6865 7.6865 7.6865 7.6865 8.4050 8.4050 8.4050 8.4050 9.2103 9.2103 9.2103 9.2103 9.6176 9.6176 9.6176 9.6176 12.7197 12.7197 12.7197 12.7197 14.0696 14.0696 14.0696 14.0696 16.3195 16.3195 k = 0.4659 0.2690 0.3774 ( 2422 PWs) bands (ev): 1.9000 1.9000 1.9000 1.9000 5.4683 5.4683 5.4683 5.4683 7.0809 7.0809 7.0809 7.0809 7.6850 7.6850 7.6850 7.6850 8.4061 8.4061 8.4061 8.4061 9.2230 9.2230 9.2230 9.2230 9.5806 9.5806 9.5806 9.5806 12.7036 12.7036 12.7036 12.7036 14.0909 14.0909 14.0909 14.0909 16.3223 16.3223 k = 0.4773 0.2756 0.3774 ( 2418 PWs) bands (ev): 1.9115 1.9115 1.9115 1.9115 5.4587 5.4587 5.4587 5.4587 7.0802 7.0802 7.0802 7.0802 7.6838 7.6838 7.6838 7.6838 8.4069 8.4069 8.4069 8.4069 9.2334 9.2334 9.2334 9.2334 9.5528 9.5528 9.5528 9.5528 12.6920 12.6920 12.6920 12.6920 14.1061 14.1061 14.1061 14.1061 16.3245 16.3245 k = 0.4886 0.2821 0.3774 ( 2418 PWs) bands (ev): 1.9184 1.9184 1.9184 1.9184 5.4530 5.4530 5.4530 5.4530 7.0797 7.0797 7.0797 7.0797 7.6831 7.6831 7.6831 7.6831 8.4075 8.4075 8.4075 8.4075 9.2404 9.2404 9.2404 9.2404 9.5353 9.5353 9.5353 9.5353 12.6850 12.6850 12.6850 12.6850 14.1153 14.1153 14.1153 14.1153 16.3259 16.3259 k = 0.5000 0.2887 0.3774 ( 2416 PWs) bands (ev): 1.9207 1.9207 1.9207 1.9207 5.4510 5.4510 5.4510 5.4510 7.0796 7.0796 7.0796 7.0796 7.6829 7.6829 7.6829 7.6829 8.4077 8.4077 8.4077 8.4077 9.2428 9.2428 9.2428 9.2428 9.5294 9.5294 9.5294 9.5294 12.6827 12.6827 12.6827 12.6827 14.1184 14.1184 14.1184 14.1184 16.3264 16.3264 k = 0.5000 0.2887 0.3774 ( 2416 PWs) bands (ev): 1.9207 1.9207 1.9207 1.9207 5.4510 5.4510 5.4510 5.4510 7.0796 7.0796 7.0796 7.0796 7.6829 7.6829 7.6829 7.6829 8.4077 8.4077 8.4077 8.4077 9.2428 9.2428 9.2428 9.2428 9.5294 9.5294 9.5294 9.5294 12.6827 12.6827 12.6827 12.6827 14.1184 14.1184 14.1184 14.1184 16.3264 16.3264 k = 0.4936 0.2998 0.3774 ( 2416 PWs) bands (ev): 1.9187 1.9187 1.9237 1.9237 5.4505 5.4505 5.4544 5.4544 7.0697 7.0697 7.0872 7.0872 7.6750 7.6750 7.6893 7.6893 8.3972 8.3972 8.4174 8.4174 9.2155 9.2155 9.2694 9.2694 9.5150 9.5150 9.5458 9.5458 12.6454 12.6454 12.6854 12.6854 14.1136 14.1136 14.1639 14.1639 16.3246 16.3246 k = 0.4872 0.3109 0.3774 ( 2412 PWs) bands (ev): 1.9176 1.9176 1.9277 1.9277 5.4526 5.4526 5.4605 5.4605 7.0576 7.0576 7.0924 7.0924 7.6656 7.6656 7.6943 7.6943 8.3860 8.3860 8.4264 8.4264 9.1876 9.1876 9.2945 9.2945 9.5033 9.5033 9.5639 9.5639 12.5796 12.5796 12.6531 12.6531 14.1501 14.1501 14.2443 14.2443 16.3269 16.3269 k = 0.4808 0.3220 0.3774 ( 2416 PWs) bands (ev): 1.9175 1.9175 1.9326 1.9326 5.4576 5.4576 5.4694 5.4694 7.0432 7.0432 7.0952 7.0952 7.6547 7.6547 7.6980 7.6980 8.3743 8.3743 8.4344 8.4344 9.1595 9.1595 9.3169 9.3169 9.4957 9.4957 9.5836 9.5836 12.4932 12.4932 12.5907 12.5907 14.2226 14.2226 14.3515 14.3515 16.3334 16.3334 k = 0.4744 0.3331 0.3774 ( 2420 PWs) bands (ev): 1.9183 1.9183 1.9384 1.9384 5.4652 5.4652 5.4810 5.4810 7.0265 7.0265 7.0956 7.0956 7.6423 7.6423 7.7004 7.7004 8.3620 8.3620 8.4415 8.4415 9.1310 9.1310 9.3345 9.3345 9.4942 9.4942 9.6047 9.6047 12.3935 12.3935 12.5060 12.5060 14.3232 14.3232 14.4780 14.4780 16.3443 16.3443 k = 0.4679 0.3442 0.3774 ( 2416 PWs) bands (ev): 1.9200 1.9200 1.9450 1.9450 5.4756 5.4756 5.4954 5.4954 7.0077 7.0077 7.0934 7.0934 7.6285 7.6285 7.7016 7.7016 8.3492 8.3492 8.4476 8.4476 9.1022 9.1022 9.3453 9.3453 9.5010 9.5010 9.6272 9.6272 12.2859 12.2859 12.4066 12.4066 14.4440 14.4440 14.6181 14.6181 16.3596 16.3596 k = 0.4615 0.3553 0.3774 ( 2416 PWs) bands (ev): 1.9226 1.9226 1.9525 1.9525 5.4887 5.4887 5.5126 5.5126 6.9867 6.9867 7.0887 7.0887 7.6133 7.6133 7.7017 7.7017 8.3360 8.3360 8.4526 8.4526 9.0731 9.0731 9.3481 9.3481 9.5172 9.5172 9.6512 9.6512 12.1744 12.1744 12.2981 12.2981 14.5789 14.5789 14.7674 14.7674 16.3794 16.3794 k = 0.4551 0.3664 0.3774 ( 2416 PWs) bands (ev): 1.9260 1.9260 1.9607 1.9607 5.5044 5.5044 5.5324 5.5324 6.9636 6.9636 7.0812 7.0812 7.5969 7.5969 7.7007 7.7007 8.3224 8.3224 8.4564 8.4564 9.0437 9.0437 9.3446 9.3446 9.5414 9.5414 9.6767 9.6767 12.0617 12.0617 12.1847 12.1847 14.7232 14.7232 14.9227 14.9227 16.4042 16.4042 k = 0.4487 0.3775 0.3774 ( 2416 PWs) bands (ev): 1.9303 1.9303 1.9697 1.9697 5.5227 5.5227 5.5550 5.5550 6.9384 6.9384 7.0708 7.0708 7.5794 7.5794 7.6988 7.6988 8.3086 8.3086 8.4591 8.4591 9.0142 9.0142 9.3367 9.3367 9.5715 9.5715 9.7036 9.7036 11.9498 11.9498 12.0693 12.0693 14.8732 14.8732 15.0812 15.0812 16.4342 16.4342 k = 0.4423 0.3886 0.3774 ( 2416 PWs) bands (ev): 1.9353 1.9353 1.9793 1.9793 5.5436 5.5436 5.5801 5.5801 6.9111 6.9111 7.0575 7.0575 7.5611 7.5611 7.6960 7.6960 8.2945 8.2945 8.4606 8.4606 8.9845 8.9845 9.3264 9.3264 9.6057 9.6057 9.7319 9.7319 11.8398 11.8398 11.9538 11.9538 15.0263 15.0263 15.2407 15.2407 16.4702 16.4702 k = 0.4359 0.3997 0.3774 ( 2428 PWs) bands (ev): 1.9409 1.9409 1.9895 1.9895 5.5670 5.5670 5.6079 5.6079 6.8817 6.8817 7.0409 7.0409 7.5422 7.5422 7.6924 7.6924 8.2804 8.2804 8.4609 8.4609 8.9549 8.9549 9.3146 9.3146 9.6430 9.6430 9.7617 9.7617 11.7329 11.7329 11.8395 11.8395 15.1799 15.1799 15.3987 15.3987 16.5129 16.5129 k = 0.4295 0.4108 0.3774 ( 2416 PWs) bands (ev): 1.9472 1.9472 2.0001 2.0001 5.5929 5.5929 5.6383 5.6383 6.8504 6.8504 7.0210 7.0210 7.5230 7.5230 7.6880 7.6880 8.2663 8.2663 8.4600 8.4600 8.9254 8.9254 9.3021 9.3021 9.6828 9.6828 9.7928 9.7928 11.6295 11.6295 11.7275 11.7275 15.3317 15.3317 15.5529 15.5529 16.5634 16.5634 k = 0.4231 0.4219 0.3774 ( 2416 PWs) bands (ev): 1.9539 1.9539 2.0111 2.0111 5.6211 5.6211 5.6712 5.6712 6.8170 6.8170 6.9976 6.9976 7.5038 7.5038 7.6828 7.6828 8.2523 8.2523 8.4581 8.4581 8.8965 8.8965 9.2893 9.2893 9.7247 9.7247 9.8252 9.8252 11.5303 11.5303 11.6182 11.6182 15.4797 15.4797 15.7005 15.7005 16.6234 16.6234 k = 0.4167 0.4330 0.3774 ( 2420 PWs) bands (ev): 1.9611 1.9611 2.0224 2.0224 5.6516 5.6516 5.7065 5.7065 6.7818 6.7818 6.9706 6.9706 7.4849 7.4849 7.6770 7.6770 8.2386 8.2386 8.4551 8.4551 8.8682 8.8682 9.2765 9.2765 9.7685 9.7685 9.8588 9.8588 11.4354 11.4354 11.5122 11.5122 15.6217 15.6217 15.8385 15.8385 16.6943 16.6943 k = 0.4103 0.4441 0.3774 ( 2416 PWs) bands (ev): 1.9687 1.9687 2.0338 2.0338 5.6842 5.6842 5.7441 5.7441 6.7447 6.7447 6.9398 6.9398 7.4665 7.4665 7.6706 7.6706 8.2253 8.2253 8.4513 8.4513 8.8408 8.8408 9.2639 9.2639 9.8139 9.8139 9.8933 9.8933 11.3452 11.3452 11.4097 11.4097 15.7556 15.7556 15.9644 15.9644 16.7778 16.7778 k = 0.4038 0.4552 0.3774 ( 2418 PWs) bands (ev): 1.9764 1.9764 2.0453 2.0453 5.7190 5.7190 5.7840 5.7840 6.7058 6.7058 6.9054 6.9054 7.4490 7.4490 7.6637 7.6637 8.2126 8.2126 8.4467 8.4467 8.8147 8.8147 9.2516 9.2516 9.8609 9.8609 9.9287 9.9287 11.2598 11.2598 11.3109 11.3109 15.8797 15.8797 16.0762 16.0762 16.8743 16.8743 k = 0.3974 0.4663 0.3774 ( 2418 PWs) bands (ev): 1.9843 1.9843 2.0566 2.0566 5.7557 5.7557 5.8261 5.8261 6.6652 6.6652 6.8673 6.8673 7.4326 7.4326 7.6564 7.6564 8.2004 8.2004 8.4415 8.4415 8.7901 8.7901 9.2398 9.2398 9.9093 9.9093 9.9648 9.9648 11.1792 11.1792 11.2159 11.2159 15.9927 15.9927 16.1734 16.1734 16.9831 16.9831 k = 0.3910 0.4774 0.3774 ( 2420 PWs) bands (ev): 1.9921 1.9921 2.0677 2.0677 5.7941 5.7941 5.8702 5.8702 6.6231 6.6231 6.8257 6.8257 7.4174 7.4174 7.6488 7.6488 8.1891 8.1891 8.4360 8.4360 8.7671 8.7671 9.2286 9.2286 9.9590 9.9590 10.0012 10.0012 11.1037 11.1037 11.1248 11.1248 16.0939 16.0939 16.2568 16.2568 17.1015 17.1015 k = 0.3846 0.4885 0.3774 ( 2420 PWs) bands (ev): 1.9998 1.9998 2.0784 2.0784 5.8342 5.8342 5.9161 5.9161 6.5796 6.5796 6.7810 6.7810 7.4035 7.4035 7.6412 7.6412 8.1787 8.1787 8.4303 8.4303 8.7461 8.7461 9.2183 9.2183 10.0100 10.0100 10.0376 10.0376 11.0332 11.0332 11.0374 11.0374 16.1835 16.1835 16.3282 16.3282 17.2260 17.2260 k = 0.3782 0.4996 0.3774 ( 2412 PWs) bands (ev): 2.0072 2.0072 2.0885 2.0885 5.8756 5.8756 5.9637 5.9637 6.5349 6.5349 6.7335 6.7335 7.3912 7.3912 7.6336 7.6336 8.1692 8.1692 8.4248 8.4248 8.7270 8.7270 9.2088 9.2088 10.0621 10.0621 10.0735 10.0735 10.9538 10.9538 10.9681 10.9681 16.2617 16.2617 16.3895 16.3895 17.3526 17.3526 k = 0.3718 0.5107 0.3774 ( 2416 PWs) bands (ev): 2.0142 2.0142 2.0979 2.0979 5.9182 5.9182 6.0127 6.0127 6.4893 6.4893 6.6837 6.6837 7.3804 7.3804 7.6264 7.6264 8.1608 8.1608 8.4196 8.4196 8.7101 8.7101 9.2002 9.2002 10.1085 10.1085 10.1153 10.1153 10.8739 10.8739 10.9086 10.9086 16.3293 16.3293 16.4424 16.4424 17.4769 17.4769 k = 0.3654 0.5218 0.3774 ( 2416 PWs) bands (ev): 2.0205 2.0205 2.1063 2.1063 5.9615 5.9615 6.0627 6.0627 6.4432 6.4432 6.6323 6.6323 7.3712 7.3712 7.6196 7.6196 8.1536 8.1536 8.4150 8.4150 8.6955 8.6955 9.1928 9.1928 10.1418 10.1418 10.1694 10.1694 10.7975 10.7975 10.8552 10.8552 16.3869 16.3869 16.4877 16.4877 17.5948 17.5948 k = 0.3590 0.5329 0.3774 ( 2420 PWs) bands (ev): 2.0261 2.0261 2.1136 2.1136 6.0052 6.0052 6.1133 6.1133 6.3970 6.3970 6.5800 6.5800 7.3636 7.3636 7.6137 7.6137 8.1475 8.1475 8.4112 8.4112 8.6831 8.6831 9.1865 9.1865 10.1722 10.1722 10.2242 10.2242 10.7247 10.7247 10.8087 10.8087 16.4349 16.4349 16.5259 16.5259 17.7015 17.7015 k = 0.3526 0.5440 0.3774 ( 2424 PWs) bands (ev): 2.0307 2.0307 2.1197 2.1197 6.0485 6.0485 6.1635 6.1635 6.3516 6.3516 6.5279 6.5279 7.3576 7.3576 7.6087 7.6087 8.1427 8.1427 8.4082 8.4082 8.6732 8.6732 9.1815 9.1815 10.1984 10.1984 10.2796 10.2796 10.6556 10.6556 10.7702 10.7702 16.4731 16.4731 16.5569 16.5569 17.7918 17.7918 k = 0.3462 0.5551 0.3774 ( 2430 PWs) bands (ev): 2.0343 2.0343 2.1242 2.1242 6.0899 6.0899 6.2116 6.2116 6.3086 6.3086 6.4783 6.4783 7.3534 7.3534 7.6049 7.6049 8.1393 8.1393 8.4062 8.4062 8.6659 8.6659 9.1778 9.1778 10.2189 10.2189 10.3347 10.3347 10.5908 10.5908 10.7413 10.7413 16.5014 16.5014 16.5803 16.5803 17.8601 17.8601 k = 0.3397 0.5662 0.3774 ( 2434 PWs) bands (ev): 2.0365 2.0365 2.1271 2.1271 6.1252 6.1252 6.2522 6.2522 6.2723 6.2723 6.4366 6.4366 7.3508 7.3508 7.6025 7.6025 8.1371 8.1371 8.4050 8.4050 8.6614 8.6614 9.1756 9.1756 10.2319 10.2319 10.3870 10.3870 10.5327 10.5327 10.7232 10.7232 16.5191 16.5191 16.5952 16.5952 17.9014 17.9014 k = 0.3333 0.5774 0.3774 ( 2436 PWs) bands (ev): 2.0373 2.0373 2.1281 2.1281 6.1415 6.1415 6.2556 6.2556 6.2707 6.2707 6.4178 6.4178 7.3499 7.3499 7.6017 7.6017 8.1364 8.1364 8.4046 8.4046 8.6598 8.6598 9.1748 9.1748 10.2363 10.2363 10.4177 10.4177 10.5001 10.5001 10.7172 10.7172 16.5252 16.5252 16.6004 16.6004 17.9145 17.9146 k = 0.3333 0.5774 0.3774 ( 2436 PWs) bands (ev): 2.0373 2.0373 2.1281 2.1281 6.1415 6.1415 6.2556 6.2556 6.2707 6.2707 6.4178 6.4178 7.3499 7.3499 7.6017 7.6017 8.1364 8.1364 8.4046 8.4046 8.6598 8.6598 9.1748 9.1748 10.2363 10.2363 10.4177 10.4177 10.5001 10.5001 10.7172 10.7172 16.5252 16.5252 16.6004 16.6004 17.9146 17.9146 k = 0.3268 0.5660 0.3774 ( 2440 PWs) bands (ev): 2.0364 2.0364 2.1270 2.1270 6.1253 6.1253 6.2520 6.2520 6.2723 6.2723 6.4369 6.4369 7.3508 7.3508 7.6026 7.6026 8.1372 8.1372 8.4050 8.4050 8.6615 8.6615 9.1756 9.1756 10.2319 10.2319 10.3871 10.3871 10.5327 10.5327 10.7232 10.7232 16.5185 16.5185 16.5945 16.5945 17.9032 17.9032 k = 0.3203 0.5547 0.3774 ( 2432 PWs) bands (ev): 2.0337 2.0337 2.1236 2.1236 6.0917 6.0917 6.2120 6.2120 6.3072 6.3072 6.4784 6.4784 7.3535 7.3535 7.6053 7.6053 8.1395 8.1395 8.4058 8.4058 8.6669 8.6669 9.1781 9.1781 10.2200 10.2200 10.3371 10.3371 10.5887 10.5887 10.7403 10.7403 16.4978 16.4978 16.5760 16.5760 17.8753 17.8753 k = 0.3137 0.5434 0.3774 ( 2424 PWs) bands (ev): 2.0288 2.0288 2.1176 2.1176 6.0543 6.0543 6.1662 6.1662 6.3470 6.3470 6.5268 6.5268 7.3580 7.3580 7.6097 7.6097 8.1433 8.1433 8.4068 8.4068 8.6762 8.6762 9.1821 9.1821 10.2025 10.2025 10.2869 10.2869 10.6491 10.6491 10.7663 10.7663 16.4625 16.4625 16.5438 16.5438 17.8396 17.8396 k = 0.3072 0.5321 0.3774 ( 2416 PWs) bands (ev): 2.0218 2.0218 2.1091 2.1091 6.0173 6.0173 6.1200 6.1200 6.3876 6.3876 6.5767 6.5767 7.3643 7.3643 7.6159 7.6159 8.1487 8.1487 8.4080 8.4080 8.6896 8.6896 9.1877 9.1877 10.1818 10.1818 10.2393 10.2393 10.7113 10.7113 10.7992 10.7992 16.4127 16.4127 16.4975 16.4975 17.8028 17.8028 k = 0.3007 0.5207 0.3774 ( 2412 PWs) bands (ev): 2.0124 2.0124 2.0978 2.0978 5.9823 5.9823 6.0754 6.0754 6.4275 6.4275 6.6263 6.6263 7.3724 7.3724 7.6237 7.6237 8.1556 8.1556 8.4091 8.4091 8.7072 8.7072 9.1947 9.1947 10.1598 10.1598 10.1953 10.1953 10.7747 10.7747 10.8371 10.8371 16.3490 16.3490 16.4376 16.4376 17.7688 17.7688 k = 0.2941 0.5094 0.3774 ( 2404 PWs) bands (ev): 2.0006 2.0006 2.0836 2.0836 5.9500 5.9500 6.0334 6.0334 6.4661 6.4661 6.6745 6.6745 7.3820 7.3820 7.6328 7.6328 8.1641 8.1641 8.4102 8.4102 8.7289 8.7289 9.2028 9.2028 10.1382 10.1382 10.1556 10.1556 10.8390 10.8390 10.8788 10.8788 16.2728 16.2728 16.3650 16.3650 17.7391 17.7391 k = 0.2876 0.4981 0.3774 ( 2396 PWs) bands (ev): 1.9862 1.9862 2.0665 2.0665 5.9211 5.9211 5.9945 5.9945 6.5031 6.5031 6.7207 6.7207 7.3932 7.3932 7.6430 7.6430 8.1741 8.1741 8.4111 8.4111 8.7543 8.7543 9.2117 9.2117 10.1185 10.1185 10.1210 10.1210 10.9041 10.9041 10.9232 10.9232 16.1857 16.1857 16.2814 16.2814 17.7140 17.7140 k = 0.2810 0.4868 0.3774 ( 2396 PWs) bands (ev): 1.9691 1.9691 2.0464 2.0464 5.8958 5.8958 5.9594 5.9594 6.5383 6.5383 6.7645 6.7645 7.4057 7.4057 7.6540 7.6540 8.1855 8.1855 8.4120 8.4120 8.7831 8.7831 9.2207 9.2207 10.0926 10.0926 10.1018 10.1018 10.9698 10.9698 10.9699 10.9699 16.0897 16.0897 16.1886 16.1886 17.6926 17.6926 k = 0.2745 0.4755 0.3774 ( 2410 PWs) bands (ev): 1.9493 1.9493 2.0233 2.0233 5.8744 5.8744 5.9282 5.9282 6.5715 6.5715 6.8056 6.8056 7.4192 7.4192 7.6655 7.6655 8.1981 8.1981 8.4129 8.4129 8.8144 8.8144 9.2293 9.2293 10.0713 10.0713 10.0895 10.0895 11.0180 11.0180 11.0364 11.0364 15.9866 15.9866 16.0884 16.0884 17.6737 17.6737 k = 0.2680 0.4641 0.3774 ( 2406 PWs) bands (ev): 1.9268 1.9268 1.9973 1.9973 5.8572 5.8572 5.9013 5.9013 6.6028 6.6028 6.8439 6.8439 7.4336 7.4336 7.6771 7.6771 8.2118 8.2118 8.4139 8.4139 8.8473 8.8473 9.2364 9.2364 10.0584 10.0584 10.0829 10.0829 11.0675 11.0675 11.1036 11.1036 15.8781 15.8781 15.9827 15.9827 17.6563 17.6563 k = 0.2614 0.4528 0.3774 ( 2406 PWs) bands (ev): 1.9016 1.9016 1.9684 1.9684 5.8442 5.8442 5.8788 5.8788 6.6322 6.6322 6.8794 6.8794 7.4485 7.4485 7.6885 7.6885 8.2264 8.2264 8.4151 8.4151 8.8808 8.8808 9.2411 9.2411 10.0552 10.0552 10.0834 10.0834 11.1180 11.1180 11.1715 11.1715 15.7656 15.7656 15.8729 15.8729 17.6392 17.6392 k = 0.2549 0.4415 0.3774 ( 2406 PWs) bands (ev): 1.8738 1.8738 1.9368 1.9368 5.8355 5.8355 5.8609 5.8609 6.6597 6.6597 6.9121 6.9121 7.4635 7.4635 7.6995 7.6995 8.2416 8.2416 8.4165 8.4165 8.9133 8.9133 9.2425 9.2425 10.0630 10.0630 10.0924 10.0924 11.1693 11.1693 11.2399 11.2399 15.6503 15.6503 15.7602 15.7602 17.6217 17.6217 k = 0.2484 0.4302 0.3774 ( 2404 PWs) bands (ev): 1.8435 1.8435 1.9025 1.9025 5.8312 5.8312 5.8475 5.8475 6.6856 6.6856 6.9422 6.9422 7.4785 7.4785 7.7098 7.7098 8.2573 8.2573 8.4183 8.4183 8.9436 8.9436 9.2399 9.2399 10.0826 10.0826 10.1112 10.1112 11.2211 11.2211 11.3088 11.3088 15.5333 15.5333 15.6458 15.6458 17.6031 17.6031 k = 0.2418 0.4189 0.3774 ( 2404 PWs) bands (ev): 1.8108 1.8108 1.8658 1.8658 5.8312 5.8312 5.8388 5.8388 6.7099 6.7099 6.9697 6.9697 7.4931 7.4931 7.7192 7.7192 8.2730 8.2730 8.4205 8.4205 8.9703 8.9703 9.2331 9.2331 10.1144 10.1144 10.1412 10.1412 11.2732 11.2732 11.3782 11.3782 15.4154 15.4154 15.5305 15.5305 17.5830 17.5831 k = 0.2353 0.4075 0.3774 ( 2404 PWs) bands (ev): 1.7758 1.7758 1.8268 1.8268 5.8346 5.8346 5.8354 5.8354 6.7327 6.7327 6.9949 6.9949 7.5071 7.5071 7.7275 7.7275 8.2887 8.2887 8.4232 8.4232 8.9924 8.9924 9.2222 9.2222 10.1583 10.1583 10.1832 10.1832 11.3256 11.3256 11.4480 11.4480 15.2974 15.2974 15.4152 15.4152 17.5615 17.5615 k = 0.2288 0.3962 0.3774 ( 2408 PWs) bands (ev): 1.7387 1.7387 1.7858 1.7858 5.8350 5.8350 5.8438 5.8438 6.7541 6.7541 7.0179 7.0179 7.5204 7.5204 7.7346 7.7347 8.3040 8.3040 8.4263 8.4263 9.0093 9.0093 9.2077 9.2077 10.2139 10.2139 10.2377 10.2377 11.3779 11.3779 11.5180 11.5180 15.1801 15.1801 15.3005 15.3005 17.5383 17.5383 k = 0.2222 0.3849 0.3774 ( 2412 PWs) bands (ev): 1.6997 1.6997 1.7430 1.7430 5.8397 5.8397 5.8562 5.8562 6.7744 6.7744 7.0389 7.0389 7.5328 7.5328 7.7405 7.7405 8.3189 8.3189 8.4299 8.4299 9.0208 9.0208 9.1901 9.1901 10.2802 10.2802 10.3047 10.3047 11.4300 11.4300 11.5882 11.5882 15.0639 15.0639 15.1871 15.1871 17.5135 17.5136 k = 0.2157 0.3736 0.3774 ( 2404 PWs) bands (ev): 1.6590 1.6590 1.6986 1.6986 5.8487 5.8487 5.8724 5.8724 6.7935 6.7935 7.0582 7.0582 7.5442 7.5442 7.7452 7.7452 8.3331 8.3331 8.4339 8.4339 9.0271 9.0271 9.1704 9.1704 10.3565 10.3565 10.3837 10.3837 11.4816 11.4816 11.6584 11.6584 14.9497 14.9497 15.0756 15.0756 17.4759 17.4759 k = 0.2092 0.3623 0.3774 ( 2408 PWs) bands (ev): 1.6168 1.6168 1.6529 1.6529 5.8619 5.8619 5.8923 5.8923 6.8116 6.8116 7.0757 7.0757 7.5547 7.5547 7.7485 7.7485 8.3467 8.3467 8.4384 8.4384 9.0288 9.0288 9.1492 9.1492 10.4415 10.4415 10.4739 10.4739 11.5324 11.5324 11.7283 11.7283 14.8381 14.8381 14.9666 14.9666 17.4426 17.4426 k = 0.2026 0.3509 0.3774 ( 2402 PWs) bands (ev): 1.5734 1.5734 1.6061 1.6061 5.8789 5.8789 5.9157 5.9157 6.8287 6.8287 7.0916 7.0916 7.5642 7.5642 7.7505 7.7505 8.3595 8.3595 8.4434 8.4434 9.0266 9.0266 9.1271 9.1271 10.5343 10.5343 10.5743 10.5743 11.5822 11.5822 11.7977 11.7977 14.7297 14.7297 14.8608 14.8608 17.4089 17.4090 k = 0.1961 0.3396 0.3774 ( 2402 PWs) bands (ev): 1.5290 1.5290 1.5585 1.5585 5.8997 5.8997 5.9424 5.9424 6.8450 6.8450 7.1059 7.1059 7.5726 7.5726 7.7512 7.7512 8.3717 8.3717 8.4488 8.4488 9.0212 9.0212 9.1046 9.1046 10.6337 10.6337 10.6837 10.6837 11.6304 11.6304 11.8664 11.8664 14.6254 14.6254 14.7589 14.7589 17.3753 17.3753 k = 0.1895 0.3283 0.3774 ( 2410 PWs) bands (ev): 1.4838 1.4838 1.5103 1.5103 5.9240 5.9240 5.9721 5.9721 6.8604 6.8604 7.1188 7.1188 7.5801 7.5801 7.7508 7.7508 8.3832 8.3832 8.4546 8.4546 9.0134 9.0134 9.0823 9.0823 10.7387 10.7387 10.8012 10.8012 11.6768 11.6768 11.9339 11.9339 14.5261 14.5261 14.6616 14.6616 17.3419 17.3419 k = 0.1830 0.3170 0.3774 ( 2418 PWs) bands (ev): 1.4381 1.4381 1.4618 1.4618 5.9516 5.9516 6.0047 6.0047 6.8751 6.8751 7.1303 7.1303 7.5867 7.5867 7.7491 7.7491 8.3942 8.3942 8.4608 8.4608 9.0038 9.0038 9.0605 9.0605 10.8480 10.8480 10.9256 10.9256 11.7209 11.7209 12.0000 12.0000 14.4327 14.4327 14.5696 14.5696 17.3092 17.3093 k = 0.1765 0.3057 0.3774 ( 2414 PWs) bands (ev): 1.3921 1.3921 1.4132 1.4132 5.9823 5.9823 6.0399 6.0399 6.8889 6.8889 7.1403 7.1403 7.5924 7.5924 7.7464 7.7464 8.4047 8.4047 8.4674 8.4674 8.9930 8.9930 9.0393 9.0393 10.9605 10.9605 11.0557 11.0557 11.7622 11.7622 12.0643 12.0643 14.3464 14.3464 14.4839 14.4839 17.2776 17.2776 k = 0.1699 0.2943 0.3774 ( 2410 PWs) bands (ev): 1.3460 1.3460 1.3647 1.3647 6.0159 6.0159 6.0775 6.0775 6.9021 6.9021 7.1489 7.1489 7.5971 7.5971 7.7427 7.7427 8.4149 8.4149 8.4744 8.4744 8.9815 8.9815 9.0192 9.0192 11.0745 11.0745 11.1904 11.1904 11.8006 11.8006 12.1265 12.1265 14.2684 14.2684 14.4054 14.4054 17.2474 17.2474 k = 0.1634 0.2830 0.3774 ( 2406 PWs) bands (ev): 1.3001 1.3001 1.3165 1.3165 6.0520 6.0520 6.1172 6.1172 6.9146 6.9146 7.1562 7.1562 7.6011 7.6011 7.7380 7.7380 8.4249 8.4249 8.4816 8.4816 8.9695 8.9695 9.0000 9.0000 11.1884 11.1884 11.3277 11.3277 11.8362 11.8362 12.1868 12.1868 14.2001 14.2001 14.3350 14.3350 17.2190 17.2190 k = 0.1569 0.2717 0.3774 ( 2410 PWs) bands (ev): 1.2545 1.2545 1.2689 1.2689 6.0906 6.0906 6.1589 6.1589 6.9264 6.9264 7.1621 7.1621 7.6042 7.6042 7.7325 7.7325 8.4348 8.4348 8.4892 8.4892 8.9575 8.9575 8.9821 8.9821 11.2997 11.2997 11.4649 11.4649 11.8706 11.8706 12.2456 12.2456 14.1429 14.1429 14.2737 14.2737 17.1927 17.1927 k = 0.1503 0.2604 0.3774 ( 2418 PWs) bands (ev): 1.2094 1.2094 1.2219 1.2219 6.1312 6.1312 6.2023 6.2023 6.9375 6.9375 7.1667 7.1667 7.6066 7.6066 7.7262 7.7262 8.4448 8.4448 8.4970 8.4970 8.9456 8.9456 8.9653 8.9653 11.4055 11.4055 11.5953 11.5953 11.9089 11.9089 12.3042 12.3042 14.0980 14.0980 14.2224 14.2224 17.1688 17.1688 k = 0.1438 0.2491 0.3774 ( 2426 PWs) bands (ev): 1.1650 1.1650 1.1759 1.1759 6.1738 6.1738 6.2471 6.2471 6.9480 6.9480 7.1700 7.1700 7.6083 7.6083 7.7193 7.7193 8.4549 8.4549 8.5051 8.5051 8.9339 8.9339 8.9497 8.9497 11.5020 11.5020 11.7037 11.7037 11.9650 11.9650 12.3647 12.3647 14.0666 14.0666 14.1819 14.1819 17.1479 17.1479 k = 0.1373 0.2377 0.3774 ( 2426 PWs) bands (ev): 1.1215 1.1215 1.1309 1.1309 6.2179 6.2179 6.2930 6.2930 6.9580 6.9580 7.1720 7.1720 7.6094 7.6094 7.7118 7.7118 8.4653 8.4653 8.5134 8.5134 8.9226 8.9226 8.9352 8.9352 11.5847 11.5847 11.7693 11.7693 12.0589 12.0589 12.4304 12.4304 14.0494 14.0494 14.1529 14.1529 17.1303 17.1303 k = 0.1307 0.2264 0.3774 ( 2424 PWs) bands (ev): 1.0791 1.0791 1.0871 1.0871 6.2635 6.2635 6.3399 6.3399 6.9673 6.9673 7.1728 7.1728 7.6099 7.6099 7.7039 7.7039 8.4761 8.4761 8.5220 8.5220 8.9117 8.9117 8.9218 8.9218 11.6495 11.6495 11.7940 11.7940 12.1876 12.1876 12.5051 12.5051 14.0464 14.0464 14.1355 14.1355 17.1163 17.1163 k = 0.1242 0.2151 0.3774 ( 2422 PWs) bands (ev): 1.0379 1.0379 1.0447 1.0447 6.3101 6.3101 6.3874 6.3874 6.9762 6.9762 7.1724 7.1724 7.6099 7.6099 7.6956 7.6956 8.4872 8.4872 8.5309 8.5309 8.9013 8.9013 8.9093 8.9093 11.6933 11.6933 11.7944 11.7944 12.3341 12.3341 12.5915 12.5915 14.0573 14.0573 14.1298 14.1298 17.1066 17.1066 k = 0.1176 0.2038 0.3774 ( 2414 PWs) bands (ev): 0.9980 0.9980 1.0038 1.0038 6.3576 6.3576 6.4353 6.4353 6.9845 6.9845 7.1710 7.1710 7.6094 7.6094 7.6871 7.6871 8.4988 8.4988 8.5399 8.5399 8.8913 8.8913 8.8978 8.8978 11.7157 11.7157 11.7803 11.7803 12.4885 12.4885 12.6907 12.6907 14.0808 14.0808 14.1354 14.1354 17.1015 17.1015 k = 0.1111 0.1925 0.3774 ( 2414 PWs) bands (ev): 0.9596 0.9596 0.9644 0.9644 6.4057 6.4057 6.4831 6.4831 6.9925 6.9925 7.1685 7.1685 7.6086 7.6086 7.6784 7.6784 8.5109 8.5109 8.5492 8.5492 8.8817 8.8817 8.8871 8.8871 11.7183 11.7183 11.7558 11.7558 12.6467 12.6467 12.8016 12.8016 14.1156 14.1156 14.1517 14.1517 17.1016 17.1016 k = 0.1046 0.1811 0.3774 ( 2402 PWs) bands (ev): 0.9229 0.9229 0.9268 0.9268 6.4540 6.4540 6.5307 6.5307 7.0001 7.0001 7.1652 7.1652 7.6075 7.6075 7.6696 7.6696 8.5233 8.5233 8.5586 8.5586 8.8726 8.8726 8.8770 8.8770 11.7047 11.7047 11.7234 11.7234 12.8063 12.8063 12.9220 12.9220 14.1599 14.1599 14.1777 14.1777 17.1074 17.1074 k = 0.0980 0.1698 0.3774 ( 2402 PWs) bands (ev): 0.8878 0.8878 0.8910 0.8910 6.5023 6.5023 6.5775 6.5775 7.0074 7.0074 7.1610 7.1610 7.6062 7.6062 7.6609 7.6609 8.5361 8.5361 8.5683 8.5683 8.8638 8.8638 8.8675 8.8675 11.6783 11.6783 11.6850 11.6850 12.9658 12.9658 13.0492 13.0492 14.2117 14.2117 14.2124 14.2124 17.1195 17.1195 k = 0.0915 0.1585 0.3774 ( 2406 PWs) bands (ev): 0.8545 0.8545 0.8571 0.8571 6.5502 6.5502 6.6234 6.6234 7.0145 7.0145 7.1562 7.1562 7.6047 7.6047 7.6523 7.6523 8.5493 8.5493 8.5781 8.5781 8.8553 8.8553 8.8585 8.8585 11.6421 11.6421 11.6425 11.6425 13.1241 13.1241 13.1810 13.1810 14.2544 14.2544 14.2691 14.2691 17.1386 17.1386 k = 0.0850 0.1472 0.3774 ( 2402 PWs) bands (ev): 0.8232 0.8232 0.8252 0.8252 6.5974 6.5974 6.6677 6.6677 7.0216 7.0216 7.1508 7.1508 7.6030 7.6030 7.6439 7.6439 8.5628 8.5628 8.5882 8.5882 8.8470 8.8470 8.8499 8.8499 11.5961 11.5961 11.6004 11.6004 13.2799 13.2799 13.3151 13.3151 14.3026 14.3026 14.3304 14.3304 17.1653 17.1653 k = 0.0784 0.1358 0.3774 ( 2402 PWs) bands (ev): 0.7938 0.7938 0.7954 0.7954 6.6436 6.6436 6.7102 6.7102 7.0287 7.0287 7.1451 7.1451 7.6013 7.6013 7.6357 7.6357 8.5764 8.5764 8.5984 8.5984 8.8389 8.8389 8.8415 8.8415 11.5482 11.5482 11.5542 11.5542 13.4321 13.4321 13.4497 13.4497 14.3558 14.3558 14.3937 14.3937 17.2001 17.2001 k = 0.0719 0.1245 0.3774 ( 2406 PWs) bands (ev): 0.7665 0.7665 0.7677 0.7677 6.6884 6.6884 6.7503 6.7503 7.0360 7.0360 7.1390 7.1390 7.5995 7.5995 7.6280 7.6280 8.5902 8.5902 8.6088 8.6088 8.8308 8.8308 8.8332 8.8332 11.4997 11.4997 11.5060 11.5060 13.5794 13.5794 13.5831 13.5831 14.4127 14.4127 14.4576 14.4576 17.2434 17.2435 k = 0.0654 0.1132 0.3774 ( 2402 PWs) bands (ev): 0.7414 0.7414 0.7423 0.7423 6.7314 6.7314 6.7876 6.7876 7.0435 7.0435 7.1328 7.1328 7.5977 7.5977 7.6206 7.6206 8.6039 8.6039 8.6194 8.6194 8.8228 8.8228 8.8250 8.8250 11.4516 11.4516 11.4574 11.4574 13.7138 13.7138 13.7203 13.7203 14.4723 14.4723 14.5207 14.5207 17.2957 17.2957 k = 0.0588 0.1019 0.3774 ( 2400 PWs) bands (ev): 0.7184 0.7184 0.7191 0.7191 6.7721 6.7721 6.8217 6.8217 7.0514 7.0514 7.1267 7.1267 7.5959 7.5959 7.6138 7.6138 8.6177 8.6177 8.6301 8.6301 8.8148 8.8148 8.8169 8.8169 11.4049 11.4049 11.4098 11.4098 13.8399 13.8399 13.8533 13.8533 14.5334 14.5334 14.5819 14.5819 17.3568 17.3658 k = 0.0523 0.0906 0.3774 ( 2396 PWs) bands (ev): 0.6978 0.6978 0.6982 0.6982 6.8102 6.8102 6.8521 6.8521 7.0597 7.0597 7.1209 7.1209 7.5941 7.5941 7.6075 7.6075 8.6313 8.6313 8.6409 8.6409 8.8067 8.8067 8.8086 8.8086 11.3605 11.3605 11.3644 11.3644 13.9597 13.9597 13.9766 13.9766 14.5952 14.5952 14.6404 14.6404 17.4260 17.4382 k = 0.0458 0.0792 0.3774 ( 2400 PWs) bands (ev): 0.6794 0.6794 0.6797 0.6797 6.8450 6.8450 6.8787 6.8787 7.0682 7.0682 7.1155 7.1155 7.5923 7.5923 7.6019 7.6019 8.6447 8.6447 8.6518 8.6518 8.7985 8.7985 8.8001 8.8001 11.3193 11.3193 11.3222 11.3222 14.0713 14.0713 14.0887 14.0887 14.6564 14.6564 14.6954 14.6954 17.5019 17.5168 k = 0.0392 0.0679 0.3774 ( 2396 PWs) bands (ev): 0.6634 0.6634 0.6636 0.6636 6.8762 6.8762 6.9013 6.9013 7.0766 7.0766 7.1109 7.1109 7.5905 7.5905 7.5970 7.5970 8.6577 8.6577 8.6628 8.6628 8.7901 8.7901 8.7915 8.7915 11.2820 11.2820 11.2839 11.2839 14.1725 14.1725 14.1879 14.1879 14.7157 14.7157 14.7465 14.7465 17.5772 17.5792 k = 0.0327 0.0566 0.3774 ( 2388 PWs) bands (ev): 0.6498 0.6498 0.6499 0.6499 6.9031 6.9031 6.9200 6.9200 7.0847 7.0847 7.1072 7.1072 7.5889 7.5889 7.5928 7.5928 8.6705 8.6705 8.6738 8.6738 8.7815 8.7815 8.7826 8.7826 11.2492 11.2492 11.2504 11.2504 14.2614 14.2614 14.2730 14.2730 14.7716 14.7716 14.7932 14.7932 17.6325 17.6327 k = 0.0261 0.0453 0.3774 ( 2386 PWs) bands (ev): 0.6386 0.6386 0.6387 0.6387 6.9252 6.9252 6.9351 6.9351 7.0918 7.0918 7.1047 7.1047 7.5873 7.5873 7.5894 7.5894 8.6827 8.6827 8.6847 8.6847 8.7727 8.7727 8.7736 8.7736 11.2215 11.2215 11.2222 11.2222 14.3357 14.3357 14.3431 14.3431 14.8219 14.8219 14.8348 14.8348 17.6472 17.6475 k = 0.0196 0.0340 0.3774 ( 2386 PWs) bands (ev): 0.6299 0.6299 0.6299 0.6299 6.9422 6.9422 6.9468 6.9468 7.0975 7.0975 7.1034 7.1034 7.5860 7.5860 7.5869 7.5869 8.6944 8.6944 8.6954 8.6954 8.7639 8.7639 8.7644 8.7644 11.1995 11.1995 11.1997 11.1997 14.3942 14.3942 14.3978 14.3978 14.8642 14.8642 14.8703 14.8703 17.6338 17.6338 k = 0.0131 0.0226 0.3774 ( 2382 PWs) bands (ev): 0.6236 0.6236 0.6237 0.6237 6.9538 6.9538 6.9553 6.9553 7.1015 7.1015 7.1033 7.1033 7.5849 7.5849 7.5852 7.5852 8.7052 8.7052 8.7056 8.7056 8.7551 8.7551 8.7554 8.7554 11.1834 11.1834 11.1835 11.1835 14.4358 14.4358 14.4370 14.4370 14.8961 14.8961 14.8981 14.8981 17.6130 17.6131 k = 0.0065 0.0113 0.3774 ( 2374 PWs) bands (ev): 0.6199 0.6199 0.6199 0.6199 6.9604 6.9604 6.9606 6.9606 7.1036 7.1036 7.1038 7.1038 7.5842 7.5842 7.5842 7.5842 8.7142 8.7142 8.7142 8.7142 8.7473 8.7473 8.7474 8.7474 11.1736 11.1736 11.1736 11.1736 14.4606 14.4606 14.4607 14.4607 14.9159 14.9159 14.9161 14.9161 17.5973 17.5973 k = 0.0000 0.0000 0.3774 ( 2374 PWs) bands (ev): 0.6186 0.6186 0.6186 0.6186 6.9624 6.9624 6.9624 6.9624 7.1042 7.1042 7.1042 7.1042 7.5839 7.5839 7.5839 7.5839 8.7183 8.7183 8.7183 8.7183 8.7436 8.7436 8.7436 8.7436 11.1703 11.1703 11.1703 11.1703 14.4687 14.4687 14.4687 14.4687 14.9225 14.9225 14.9225 14.9225 17.5916 17.5916 k = 0.5000 0.2887 0.3774 ( 2416 PWs) bands (ev): 1.9207 1.9207 1.9207 1.9207 5.4510 5.4510 5.4510 5.4510 7.0796 7.0796 7.0796 7.0796 7.6829 7.6829 7.6829 7.6829 8.4077 8.4077 8.4077 8.4077 9.2428 9.2428 9.2428 9.2428 9.5294 9.5294 9.5294 9.5294 12.6827 12.6827 12.6827 12.6827 14.1184 14.1184 14.1184 14.1184 16.3264 16.3264 k = 0.5000 0.2887 0.3644 ( 2420 PWs) bands (ev): 1.9136 1.9136 1.9269 1.9269 5.3963 5.3963 5.5074 5.5074 7.0393 7.0393 7.1146 7.1146 7.6503 7.6503 7.7206 7.7206 8.3945 8.3945 8.4234 8.4234 9.2289 9.2289 9.2569 9.2569 9.5175 9.5175 9.5446 9.5446 12.5640 12.5640 12.8030 12.8030 14.0292 14.0292 14.2054 14.2054 16.2158 16.2158 k = 0.5000 0.2887 0.3513 ( 2416 PWs) bands (ev): 1.9054 1.9054 1.9319 1.9319 5.3431 5.3431 5.5653 5.5653 6.9959 6.9959 7.1412 7.1412 7.6264 7.6264 7.7607 7.7607 8.3842 8.3842 8.4413 8.4413 9.2155 9.2155 9.2707 9.2707 9.5097 9.5097 9.5627 9.5627 12.4470 12.4470 12.9247 12.9247 13.9382 13.9382 14.2898 14.2898 16.0999 16.0999 k = 0.5000 0.2887 0.3383 ( 2426 PWs) bands (ev): 1.8963 1.8963 1.9360 1.9360 5.2916 5.2916 5.6247 5.6247 6.9509 6.9509 7.1559 7.1559 7.6150 7.6150 7.8014 7.8014 8.3768 8.3768 8.4612 8.4612 9.2025 9.2025 9.2836 9.2836 9.5068 9.5068 9.5830 9.5830 12.3318 12.3318 13.0474 13.0474 13.8459 13.8459 14.3715 14.3715 15.9811 15.9811 k = 0.5000 0.2887 0.3253 ( 2426 PWs) bands (ev): 1.8862 1.8862 1.9391 1.9391 5.2417 5.2417 5.6856 5.6856 6.9053 6.9053 7.1566 7.1566 7.6188 7.6188 7.8413 7.8413 8.3726 8.3726 8.4826 8.4826 9.1901 9.1901 9.2953 9.2953 9.5095 9.5095 9.6054 9.6054 12.2184 12.2184 13.1702 13.1702 13.7535 13.7535 14.4499 14.4499 15.8613 15.8613 k = 0.5000 0.2887 0.3123 ( 2426 PWs) bands (ev): 1.8752 1.8752 1.9412 1.9412 5.1934 5.1934 5.7477 5.7477 6.8600 6.8600 7.1434 7.1434 7.6377 7.6377 7.8795 7.8795 8.3718 8.3718 8.5051 8.5051 9.1780 9.1780 9.3054 9.3054 9.5181 9.5181 9.6294 9.6294 12.1068 12.1068 13.2895 13.2895 13.6646 13.6646 14.5244 14.5244 15.7432 15.7432 k = 0.5000 0.2887 0.2993 ( 2418 PWs) bands (ev): 1.8633 1.8633 1.9424 1.9424 5.1467 5.1467 5.8110 5.8110 6.8155 6.8155 7.1193 7.1193 7.6691 7.6691 7.9154 7.9154 8.3744 8.3744 8.5282 8.5282 9.1664 9.1664 9.3140 9.3140 9.5323 9.5323 9.6551 9.6551 11.9972 11.9972 13.3881 13.3881 13.5968 13.5968 14.5939 14.5939 15.6294 15.6294 k = 0.5000 0.2887 0.2863 ( 2422 PWs) bands (ev): 1.8508 1.8508 1.9428 1.9428 5.1015 5.1015 5.8753 5.8753 6.7722 6.7722 7.0879 7.0879 7.7095 7.7095 7.9487 7.9487 8.3807 8.3807 8.5516 8.5516 9.1549 9.1549 9.3214 9.3214 9.5513 9.5513 9.6823 9.6823 11.8894 11.8894 13.3926 13.3926 13.6235 13.6235 14.6565 14.6565 15.5234 15.5234 k = 0.5000 0.2887 0.2733 ( 2426 PWs) bands (ev): 1.8376 1.8376 1.9423 1.9423 5.0579 5.0579 5.9401 5.9401 6.7305 6.7305 7.0521 7.0521 7.7558 7.7558 7.9797 7.9797 8.3906 8.3906 8.5747 8.5747 9.1437 9.1437 9.3281 9.3281 9.5739 9.5739 9.7109 9.7109 11.7835 11.7835 13.3157 13.3157 13.7325 13.7325 14.7089 14.7089 15.4303 15.4303 k = 0.5000 0.2887 0.2603 ( 2422 PWs) bands (ev): 1.8238 1.8238 1.9412 1.9412 5.0158 5.0158 6.0051 6.0051 6.6909 6.6909 7.0143 7.0143 7.8056 7.8056 8.0085 8.0085 8.4044 8.4044 8.5974 8.5974 9.1327 9.1327 9.3344 9.3344 9.5989 9.5989 9.7409 9.7409 11.6796 11.6796 13.2213 13.2213 13.8598 13.8598 14.7452 14.7452 15.3573 15.3573 k = 0.5000 0.2887 0.2472 ( 2428 PWs) bands (ev): 1.8096 1.8096 1.9395 1.9395 4.9754 4.9754 6.0697 6.0697 6.6540 6.6540 6.9758 6.9758 7.8566 7.8566 8.0361 8.0361 8.4218 8.4218 8.6195 8.6195 9.1220 9.1220 9.3405 9.3405 9.6250 9.6250 9.7720 9.7720 11.5777 11.5777 13.1224 13.1224 13.9926 13.9926 14.7582 14.7582 15.3133 15.3133 k = 0.5000 0.2887 0.2342 ( 2424 PWs) bands (ev): 1.7952 1.7952 1.9372 1.9372 4.9364 4.9364 6.1329 6.1329 6.6204 6.6204 6.9378 6.9378 7.9069 7.9069 8.0637 8.0637 8.4428 8.4428 8.6407 8.6407 9.1119 9.1119 9.3463 9.3463 9.6510 9.6510 9.8040 9.8040 11.4778 11.4778 13.0222 13.0222 14.1278 14.1278 14.7439 14.7439 15.3039 15.3039 k = 0.5000 0.2887 0.2212 ( 2424 PWs) bands (ev): 1.7805 1.7805 1.9344 1.9344 4.8991 4.8991 6.1932 6.1932 6.5917 6.5917 6.9009 6.9009 7.9538 7.9538 8.0935 8.0935 8.4672 8.4672 8.6612 8.6612 9.1025 9.1025 9.3516 9.3516 9.6762 9.6762 9.8363 9.8363 11.3800 11.3800 12.9218 12.9218 14.2635 14.2635 14.7077 14.7077 15.3261 15.3261 k = 0.5000 0.2887 0.2082 ( 2426 PWs) bands (ev): 1.7658 1.7658 1.9313 1.9313 4.8635 4.8635 6.2480 6.2480 6.5701 6.5701 6.8655 6.8655 7.9945 7.9945 8.1283 8.1283 8.4948 8.4948 8.6809 8.6809 9.0941 9.0941 9.3560 9.3560 9.7000 9.7000 9.8682 9.8682 11.2844 11.2844 12.8222 12.8222 14.3955 14.3955 14.6632 14.6632 15.3711 15.3711 k = 0.5000 0.2887 0.1952 ( 2438 PWs) bands (ev): 1.7512 1.7512 1.9279 1.9279 4.8295 4.8295 6.2925 6.2925 6.5601 6.5601 6.8320 6.8320 8.0272 8.0272 8.1696 8.1696 8.5252 8.5252 8.7000 8.7000 9.0870 9.0870 9.3590 9.3590 9.7217 9.7217 9.8988 9.8988 11.1911 11.1911 12.7238 12.7238 14.4992 14.4992 14.6436 14.6436 15.4311 15.4311 k = 0.5000 0.2887 0.1822 ( 2438 PWs) bands (ev): 1.7368 1.7368 1.9242 1.9242 4.7973 4.7973 6.3209 6.3209 6.5671 6.5671 6.8005 6.8005 8.0524 8.0524 8.2170 8.2170 8.5579 8.5579 8.7185 8.7185 9.0818 9.0818 9.3604 9.3604 9.7413 9.7413 9.9275 9.9275 11.1003 11.1003 12.6275 12.6275 14.5027 14.5027 14.7262 14.7262 15.5014 15.5014 k = 0.5000 0.2887 0.1692 ( 2424 PWs) bands (ev): 1.7227 1.7227 1.9205 1.9205 4.7669 4.7669 6.3307 6.3307 6.5931 6.5931 6.7715 6.7715 8.0723 8.0723 8.2682 8.2682 8.5923 8.5923 8.7364 8.7364 9.0789 9.0789 9.3596 9.3596 9.7583 9.7583 9.9534 9.9534 11.0122 11.0122 12.5336 12.5336 14.4624 14.4624 14.8574 14.8574 15.5797 15.5797 k = 0.5000 0.2887 0.1562 ( 2420 PWs) bands (ev): 1.7091 1.7091 1.9166 1.9166 4.7383 4.7383 6.3264 6.3264 6.6324 6.6324 6.7456 6.7456 8.0887 8.0887 8.3215 8.3215 8.6276 8.6276 8.7539 8.7539 9.0790 9.0790 9.3563 9.3563 9.7727 9.7727 9.9759 9.9759 10.9271 10.9271 12.4430 12.4430 14.4202 14.4202 14.9968 14.9968 15.6649 15.6649 k = 0.5000 0.2887 0.1431 ( 2422 PWs) bands (ev): 1.6961 1.6961 1.9128 1.9128 4.7118 4.7118 6.3145 6.3145 6.6741 6.6741 6.7266 6.7266 8.1030 8.1030 8.3756 8.3756 8.6629 8.6629 8.7709 8.7709 9.0829 9.0829 9.3500 9.3500 9.7842 9.7842 9.9945 9.9945 10.8454 10.8454 12.3561 12.3561 14.3827 14.3827 15.1380 15.1380 15.7566 15.7566 k = 0.5000 0.2887 0.1301 ( 2416 PWs) bands (ev): 1.6838 1.6838 1.9091 1.9091 4.6872 4.6872 6.2996 6.2996 6.6849 6.6849 6.7432 6.7432 8.1158 8.1158 8.4298 8.4298 8.6968 8.6968 8.7871 8.7871 9.0916 9.0916 9.3405 9.3405 9.7925 9.7925 10.0090 10.0090 10.7675 10.7675 12.2736 12.2736 14.3513 14.3513 15.2794 15.2794 15.8548 15.8548 k = 0.5000 0.2887 0.1171 ( 2420 PWs) bands (ev): 1.6723 1.6723 1.9056 1.9056 4.6647 4.6647 6.2838 6.2838 6.6691 6.6691 6.7881 6.7881 8.1277 8.1277 8.4837 8.4837 8.7284 8.7284 8.8021 8.8021 9.1058 9.1058 9.3280 9.3280 9.7975 9.7975 10.0192 10.0192 10.6942 10.6942 12.1963 12.1963 14.3262 14.3262 15.4201 15.4201 15.9595 15.9595 k = 0.5000 0.2887 0.1041 ( 2420 PWs) bands (ev): 1.6617 1.6617 1.9022 1.9022 4.6444 4.6444 6.2684 6.2684 6.6519 6.6519 6.8342 6.8342 8.1388 8.1388 8.5371 8.5371 8.7568 8.7568 8.8155 8.8155 9.1253 9.1253 9.3128 9.3128 9.7988 9.7988 10.0253 10.0253 10.6262 10.6262 12.1247 12.1247 14.3070 14.3070 15.5595 15.5595 16.0701 16.0701 k = 0.5000 0.2887 0.0911 ( 2420 PWs) bands (ev): 1.6522 1.6522 1.8991 1.8991 4.6263 4.6263 6.2541 6.2541 6.6363 6.6363 6.8775 6.8775 8.1491 8.1491 8.5898 8.5898 8.7815 8.7815 8.8269 8.8269 9.1484 9.1484 9.2971 9.2971 9.7959 9.7959 10.0274 10.0274 10.5646 10.5646 12.0595 12.0595 14.2931 14.2931 15.6974 15.6974 16.1858 16.1858 k = 0.5000 0.2887 0.0781 ( 2420 PWs) bands (ev): 1.6437 1.6437 1.8964 1.8964 4.6104 4.6104 6.2413 6.2413 6.6226 6.6226 6.9167 6.9167 8.1587 8.1587 8.6415 8.6415 8.8029 8.8029 8.8361 8.8361 9.1682 9.1682 9.2866 9.2866 9.7885 9.7885 10.0260 10.0260 10.5103 10.5103 12.0014 12.0014 14.2835 14.2835 15.8336 15.8336 16.3044 16.3044 k = 0.5000 0.2887 0.0651 ( 2420 PWs) bands (ev): 1.6365 1.6365 1.8940 1.8940 4.5970 4.5970 6.2302 6.2302 6.6109 6.6109 6.9509 6.9509 8.1673 8.1673 8.6917 8.6917 8.8209 8.8209 8.8436 8.8436 9.1717 9.1717 9.2934 9.2934 9.7761 9.7761 10.0218 10.0218 10.4643 10.4643 11.9510 11.9510 14.2774 14.2774 15.9678 15.9678 16.4221 16.4221 k = 0.5000 0.2887 0.0521 ( 2426 PWs) bands (ev): 1.6304 1.6304 1.8919 1.8919 4.5859 4.5859 6.2209 6.2209 6.6014 6.6014 6.9796 6.9796 8.1748 8.1748 8.7392 8.7392 8.8351 8.8351 8.8515 8.8515 9.1541 9.1541 9.3205 9.3205 9.7586 9.7586 10.0161 10.0161 10.4271 10.4271 11.9089 11.9089 14.2738 14.2738 16.0995 16.0995 16.5317 16.5317 k = 0.5000 0.2887 0.0390 ( 2422 PWs) bands (ev): 1.6256 1.6256 1.8903 1.8903 4.5772 4.5772 6.2137 6.2137 6.5940 6.5940 7.0023 7.0023 8.1810 8.1810 8.7812 8.7812 8.8430 8.8430 8.8648 8.8648 9.1247 9.1247 9.3568 9.3568 9.7369 9.7369 10.0100 10.0100 10.3989 10.3989 11.8756 11.8756 14.2720 14.2720 16.2271 16.2271 16.6184 16.6184 k = 0.5000 0.2887 0.0260 ( 2418 PWs) bands (ev): 1.6222 1.6222 1.8892 1.8892 4.5710 4.5710 6.2085 6.2085 6.5887 6.5887 7.0187 7.0187 8.1856 8.1856 8.8126 8.8126 8.8457 8.8457 8.8860 8.8860 9.0911 9.0911 9.3927 9.3927 9.7138 9.7138 10.0048 10.0048 10.3794 10.3794 11.8515 11.8515 14.2712 14.2712 16.3466 16.3466 16.6511 16.6511 k = 0.5000 0.2887 0.0130 ( 2416 PWs) bands (ev): 1.6201 1.6201 1.8885 1.8885 4.5672 4.5672 6.2053 6.2053 6.5856 6.5856 7.0287 7.0287 8.1884 8.1884 8.8305 8.8305 8.8457 8.8457 8.9112 8.9112 9.0604 9.0604 9.4202 9.4202 9.6946 9.6946 10.0014 10.0014 10.3680 10.3680 11.8369 11.8369 14.2709 14.2709 16.4468 16.4468 16.6506 16.6506 k = 0.5000 0.2887-0.0000 ( 2414 PWs) bands (ev): 1.6195 1.6195 1.8882 1.8882 4.5660 4.5660 6.2042 6.2042 6.5845 6.5845 7.0320 7.0320 8.1894 8.1894 8.8368 8.8368 8.8446 8.8446 8.9244 8.9244 9.0460 9.0460 9.4308 9.4308 9.6868 9.6868 10.0002 10.0002 10.3643 10.3643 11.8321 11.8321 14.2709 14.2709 16.4934 16.4934 16.6464 16.6464 k = 0.3333 0.5774-0.0000 ( 2430 PWs) bands (ev): 1.9694 1.9694 2.0604 2.0604 4.3597 4.3597 6.0043 6.0043 6.1882 6.1882 7.3125 7.3125 7.4949 7.4949 8.0547 8.0547 8.4335 8.4335 9.3962 9.3962 9.5091 9.5091 9.9013 9.9013 9.9341 9.9341 10.3908 10.3908 11.6674 11.6674 11.8404 11.8404 12.9619 12.9619 13.2078 13.2078 15.2378 15.2378 k = 0.3333 0.5774 0.0130 ( 2430 PWs) bands (ev): 1.9696 1.9696 2.0606 2.0606 4.3623 4.3623 6.0048 6.0048 6.1886 6.1886 7.3136 7.3136 7.4942 7.4942 8.0537 8.0537 8.4337 8.4337 9.3912 9.3912 9.5045 9.5045 9.9005 9.9005 9.9346 9.9346 10.3900 10.3900 11.6599 11.6599 11.8331 11.8331 12.9746 12.9746 13.2192 13.2192 15.2440 15.2440 k = 0.3333 0.5774 0.0260 ( 2430 PWs) bands (ev): 1.9702 1.9702 2.0612 2.0612 4.3699 4.3699 6.0060 6.0060 6.1895 6.1895 7.3167 7.3167 7.4921 7.4921 8.0507 8.0507 8.4343 8.4343 9.3754 9.3754 9.4917 9.4917 9.8979 9.8979 9.9362 9.9362 10.3879 10.3879 11.6380 11.6380 11.8123 11.8123 13.0115 13.0115 13.2525 13.2525 15.2627 15.2627 k = 0.3333 0.5774 0.0390 ( 2424 PWs) bands (ev): 1.9711 1.9711 2.0621 2.0621 4.3827 4.3827 6.0080 6.0080 6.1911 6.1911 7.3220 7.3220 7.4886 7.4886 8.0458 8.0458 8.4353 8.4353 9.3464 9.3464 9.4741 9.4741 9.8930 9.8930 9.9388 9.9388 10.3844 10.3844 11.6036 11.6036 11.7802 11.7802 13.0701 13.0701 13.3061 13.3061 15.2935 15.2935 k = 0.3333 0.5774 0.0521 ( 2424 PWs) bands (ev): 1.9724 1.9724 2.0635 2.0635 4.4005 4.4005 6.0108 6.0108 6.1932 6.1932 7.3294 7.3294 7.4839 7.4839 8.0391 8.0391 8.4366 8.4366 9.3026 9.3026 9.4545 9.4545 9.8851 9.8851 9.9427 9.9427 10.3795 10.3795 11.5590 11.5590 11.7399 11.7399 13.1472 13.1472 13.3773 13.3773 15.3363 15.3363 k = 0.3333 0.5774 0.0651 ( 2424 PWs) bands (ev): 1.9741 1.9741 2.0651 2.0651 4.4235 4.4235 6.0144 6.0144 6.1959 6.1959 7.3387 7.3387 7.4780 7.4780 8.0308 8.0308 8.4382 8.4382 9.2442 9.2442 9.4339 9.4339 9.8739 9.8739 9.9479 9.9479 10.3734 10.3734 11.5069 11.5069 11.6940 11.6940 13.2394 13.2394 13.4637 13.4637 15.3904 15.3904 k = 0.3333 0.5774 0.0781 ( 2418 PWs) bands (ev): 1.9761 1.9761 2.0671 2.0671 4.4514 4.4514 6.0187 6.0187 6.1992 6.1992 7.3500 7.3500 7.4711 7.4711 8.0211 8.0211 8.4399 8.4399 9.1730 9.1730 9.4120 9.4120 9.8591 9.8591 9.9546 9.9546 10.3661 10.3661 11.4495 11.4495 11.6448 11.6448 13.3442 13.3442 13.5627 13.5627 15.4554 15.4554 k = 0.3333 0.5774 0.0911 ( 2418 PWs) bands (ev): 1.9784 1.9784 2.0694 2.0694 4.4843 4.4843 6.0236 6.0236 6.2028 6.2028 7.3631 7.3631 7.4634 7.4634 8.0103 8.0103 8.4417 8.4417 9.0907 9.0907 9.3880 9.3880 9.8405 9.8405 9.9629 9.9629 10.3578 10.3578 11.3889 11.3889 11.5938 11.5938 13.4595 13.4595 13.6724 13.6724 15.5305 15.5305 k = 0.3333 0.5774 0.1041 ( 2424 PWs) bands (ev): 1.9810 1.9810 2.0720 2.0720 4.5222 4.5222 6.0291 6.0291 6.2069 6.2069 7.3780 7.3780 7.4550 7.4550 7.9987 7.9987 8.4434 8.4434 8.9991 8.9991 9.3617 9.3617 9.8182 9.8182 9.9731 9.9731 10.3486 10.3486 11.3265 11.3265 11.5419 11.5419 13.5835 13.5835 13.7910 13.7910 15.6152 15.6152 k = 0.3333 0.5774 0.1171 ( 2424 PWs) bands (ev): 1.9839 1.9839 2.0749 2.0749 4.5651 4.5651 6.0352 6.0352 6.2112 6.2112 7.3944 7.3944 7.4461 7.4461 7.9866 7.9866 8.4449 8.4449 8.8995 8.8995 9.3327 9.3327 9.7923 9.7923 9.9852 9.9852 10.3387 10.3387 11.2635 11.2635 11.4900 11.4900 13.7152 13.7152 13.9172 13.9172 15.7085 15.7085 k = 0.3333 0.5774 0.1301 ( 2424 PWs) bands (ev): 1.9870 1.9870 2.0780 2.0780 4.6128 4.6128 6.0417 6.0417 6.2159 6.2159 7.4121 7.4121 7.4369 7.4369 7.9744 7.9744 8.4462 8.4462 8.7930 8.7930 9.3012 9.3012 9.7631 9.7631 9.9993 9.9993 10.3282 10.3282 11.2009 11.2009 11.4384 11.4384 13.8534 13.8534 14.0500 14.0500 15.8097 15.8097 k = 0.3333 0.5774 0.1431 ( 2427 PWs) bands (ev): 1.9903 1.9903 2.0813 2.0813 4.6653 4.6653 6.0487 6.0487 6.2206 6.2206 7.4275 7.4275 7.4310 7.4310 7.9626 7.9626 8.4470 8.4470 8.6806 8.6806 9.2673 9.2673 9.7309 9.7309 10.0153 10.0153 10.3175 10.3175 11.1394 11.1394 11.3874 11.3874 13.9975 13.9975 14.1883 14.1883 15.9180 15.9180 k = 0.3333 0.5774 0.1562 ( 2433 PWs) bands (ev): 1.9937 1.9937 2.0847 2.0847 4.7225 4.7225 6.0559 6.0559 6.2255 6.2255 7.4183 7.4183 7.4508 7.4508 7.9515 7.9515 8.4475 8.4475 8.5633 8.5633 9.2313 9.2313 9.6960 9.6960 10.0331 10.0331 10.3066 10.3066 11.0795 11.0795 11.3371 11.3371 14.1467 14.1467 14.3315 14.3315 16.0324 16.0324 k = 0.3333 0.5774 0.1692 ( 2439 PWs) bands (ev): 1.9973 1.9973 2.0882 2.0882 4.7845 4.7845 6.0634 6.0634 6.2303 6.2303 7.4093 7.4093 7.4709 7.4709 7.9418 7.9418 8.4418 8.4418 8.4473 8.4473 9.1936 9.1936 9.6589 9.6589 10.0526 10.0526 10.2957 10.2957 11.0215 11.0215 11.2877 11.2877 14.3005 14.3005 14.4788 14.4788 16.1521 16.1521 k = 0.3333 0.5774 0.1822 ( 2439 PWs) bands (ev): 2.0009 2.0009 2.0919 2.0919 4.8510 4.8510 6.0710 6.0710 6.2351 6.2351 7.4007 7.4007 7.4909 7.4909 7.9340 7.9340 8.3170 8.3170 8.4466 8.4466 9.1546 9.1546 9.6198 9.6198 10.0737 10.0737 10.2852 10.2852 10.9658 10.9658 11.2392 11.2392 14.4584 14.4584 14.6296 14.6296 16.2763 16.2763 k = 0.3333 0.5774 0.1952 ( 2442 PWs) bands (ev): 2.0046 2.0046 2.0955 2.0955 4.9221 4.9221 6.0787 6.0787 6.2397 6.2397 7.3926 7.3926 7.5103 7.5103 7.9286 7.9286 8.1895 8.1895 8.4453 8.4453 9.1144 9.1144 9.5794 9.5794 10.0963 10.0963 10.2752 10.2752 10.9125 10.9125 11.1917 11.1917 14.6199 14.6199 14.7834 14.7834 16.4038 16.4038 k = 0.3333 0.5774 0.2082 ( 2436 PWs) bands (ev): 2.0082 2.0082 2.0992 2.0992 4.9976 4.9976 6.0863 6.0863 6.2441 6.2441 7.3852 7.3852 7.5284 7.5284 7.9255 7.9255 8.0609 8.0609 8.4433 8.4433 9.0735 9.0735 9.5381 9.5381 10.1201 10.1201 10.2659 10.2659 10.8619 10.8619 11.1451 11.1451 14.7845 14.7845 14.9394 14.9394 16.5338 16.5338 k = 0.3333 0.5774 0.2212 ( 2436 PWs) bands (ev): 2.0119 2.0119 2.1028 2.1028 5.0774 5.0774 6.0937 6.0937 6.2483 6.2483 7.3785 7.3785 7.5443 7.5443 7.9097 7.9097 7.9475 7.9475 8.4408 8.4408 9.0323 9.0323 9.4964 9.4964 10.1450 10.1450 10.2575 10.2575 10.8140 10.8140 11.0996 11.0996 14.9518 14.9518 15.0969 15.0969 16.6653 16.6653 k = 0.3333 0.5774 0.2342 ( 2448 PWs) bands (ev): 2.0154 2.0154 2.1063 2.1063 5.1614 5.1614 6.1009 6.1009 6.2521 6.2521 7.3725 7.3725 7.5567 7.5567 7.7930 7.7930 7.9393 7.9393 8.4377 8.4377 8.9909 8.9909 9.4548 9.4548 10.1709 10.1709 10.2502 10.2502 10.7689 10.7689 11.0552 11.0552 15.1212 15.1212 15.2553 15.2553 16.7972 16.7972 k = 0.3333 0.5774 0.2472 ( 2442 PWs) bands (ev): 2.0188 2.0188 2.1096 2.1096 5.2495 5.2495 6.1078 6.1078 6.2556 6.2556 7.3674 7.3674 7.5605 7.5605 7.6680 7.6680 7.9492 7.9492 8.4342 8.4342 8.9496 8.9496 9.4140 9.4140 10.1975 10.1975 10.2441 10.2441 10.7268 10.7268 11.0119 11.0119 15.2919 15.2919 15.4137 15.4137 16.9285 16.9285 k = 0.3333 0.5774 0.2603 ( 2436 PWs) bands (ev): 2.0220 2.0220 2.1128 2.1128 5.3416 5.3416 6.1143 6.1143 6.2587 6.2587 7.3631 7.3631 7.5037 7.5037 7.5996 7.5996 7.9643 7.9643 8.4304 8.4304 8.9088 8.9088 9.3745 9.3745 10.2248 10.2248 10.2392 10.2392 10.6876 10.6876 10.9699 10.9699 15.4632 15.4632 15.5709 15.5709 17.0579 17.0579 k = 0.3333 0.5774 0.2733 ( 2430 PWs) bands (ev): 2.0250 2.0250 2.1158 2.1158 5.4376 5.4376 6.1203 6.1203 6.2614 6.2614 7.3595 7.3595 7.3792 7.3792 7.5963 7.5963 7.9836 7.9836 8.4263 8.4263 8.8688 8.8688 9.3369 9.3369 10.2357 10.2357 10.2525 10.2525 10.6515 10.6515 10.9293 10.9293 15.6341 15.6341 15.7255 15.7255 17.1843 17.1843 k = 0.3333 0.5774 0.2863 ( 2430 PWs) bands (ev): 2.0277 2.0277 2.1185 2.1185 5.5372 5.5372 6.1258 6.1258 6.2637 6.2637 7.2473 7.2473 7.3567 7.3567 7.5984 7.5984 8.0061 8.0061 8.4222 8.4222 8.8299 8.8299 9.3020 9.3020 10.2334 10.2334 10.2802 10.2802 10.6187 10.6187 10.8902 10.8902 15.8029 15.8029 15.8759 15.8759 17.3064 17.3064 k = 0.3333 0.5774 0.2993 ( 2427 PWs) bands (ev): 2.0301 2.0301 2.1210 2.1210 5.6402 5.6402 6.1307 6.1307 6.2656 6.2656 7.1148 7.1148 7.3545 7.3545 7.6002 7.6002 8.0307 8.0307 8.4182 8.4182 8.7927 8.7927 9.2702 9.2702 10.2323 10.2323 10.3078 10.3078 10.5892 10.5892 10.8531 10.8531 15.9678 15.9678 16.0196 16.0196 17.4230 17.4230 k = 0.3333 0.5774 0.3123 ( 2427 PWs) bands (ev): 2.0323 2.0323 2.1231 2.1231 5.7464 5.7464 6.1350 6.1350 6.2672 6.2672 6.9830 6.9830 7.3528 7.3528 7.6013 7.6013 8.0561 8.0561 8.4145 8.4145 8.7579 8.7579 9.2423 9.2423 10.2322 10.2322 10.3345 10.3345 10.5634 10.5634 10.8183 10.8183 16.1259 16.1259 16.1539 16.1539 17.5330 17.5330 k = 0.3333 0.5774 0.3253 ( 2427 PWs) bands (ev): 2.0341 2.0341 2.1248 2.1248 5.8555 5.8555 6.1386 6.1386 6.2685 6.2685 6.8527 6.8527 7.3516 7.3516 7.6018 7.6018 8.0807 8.0807 8.4111 8.4111 8.7262 8.7262 9.2186 9.2186 10.2328 10.2328 10.3597 10.3597 10.5414 10.5414 10.7865 10.7865 16.2729 16.2729 16.2749 16.2749 17.6355 17.6355 k = 0.3333 0.5774 0.3383 ( 2424 PWs) bands (ev): 2.0355 2.0355 2.1262 2.1262 5.9665 5.9665 6.1418 6.1418 6.2695 6.2695 6.7246 6.7246 7.3508 7.3508 7.6019 7.6019 8.1029 8.1029 8.4084 8.4084 8.6991 8.6991 9.1997 9.1997 10.2339 10.2339 10.3824 10.3824 10.5238 10.5238 10.7589 10.7589 16.3778 16.3778 16.4028 16.4028 17.7294 17.7294 k = 0.3333 0.5774 0.3513 ( 2424 PWs) bands (ev): 2.0365 2.0365 2.1273 2.1273 6.0768 6.0768 6.1459 6.1459 6.2701 6.2701 6.6003 6.6003 7.3503 7.3503 7.6018 7.6018 8.1207 8.1207 8.4063 8.4063 8.6780 8.6780 9.1860 9.1860 10.2351 10.2351 10.4009 10.4009 10.5108 10.5108 10.7368 10.7368 16.4573 16.4573 16.5072 16.5072 17.8137 17.8137 k = 0.3333 0.5774 0.3644 ( 2433 PWs) bands (ev): 2.0371 2.0371 2.1279 2.1279 6.1387 6.1387 6.1932 6.1932 6.2705 6.2705 6.4851 6.4851 7.3500 7.3500 7.6018 7.6018 8.1324 8.1324 8.4051 8.4051 8.6645 8.6645 9.1776 9.1776 10.2360 10.2360 10.4133 10.4133 10.5028 10.5028 10.7223 10.7223 16.5078 16.5078 16.5761 16.5761 17.8829 17.8829 k = 0.3333 0.5774 0.3774 ( 2436 PWs) bands (ev): 2.0373 2.0373 2.1281 2.1281 6.1415 6.1415 6.2556 6.2556 6.2707 6.2707 6.4178 6.4178 7.3499 7.3499 7.6017 7.6017 8.1364 8.1364 8.4046 8.4046 8.6598 8.6598 9.1748 9.1748 10.2363 10.2363 10.4177 10.4177 10.5001 10.5001 10.7172 10.7172 16.5252 16.5252 16.6004 16.6004 17.9146 17.9146 Writing output data file SbPt.save init_run : 0.27s CPU 0.44s WALL ( 1 calls) electrons : 105.62s CPU 107.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 105.61s CPU 107.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 338 calls) cegterg : 98.18s CPU 99.84s WALL ( 582 calls) Called by sum_band: Called by *egterg: h_psi : 47.40s CPU 48.77s WALL ( 9524 calls) s_psi : 4.65s CPU 4.57s WALL ( 9524 calls) g_psi : 0.14s CPU 0.15s WALL ( 8604 calls) cdiaghg : 41.90s CPU 42.44s WALL ( 8942 calls) cegterg:over : 3.52s CPU 3.48s WALL ( 8604 calls) cegterg:upda : 2.47s CPU 2.38s WALL ( 8604 calls) cegterg:last : 1.47s CPU 1.46s WALL ( 1624 calls) cdiaghg:chol : 2.27s CPU 2.23s WALL ( 8942 calls) cdiaghg:inve : 1.21s CPU 1.20s WALL ( 8942 calls) cdiaghg:para : 2.48s CPU 2.42s WALL ( 17884 calls) Called by h_psi: h_psi:vloc : 38.51s CPU 39.49s WALL ( 9524 calls) h_psi:vnl : 8.77s CPU 9.16s WALL ( 9524 calls) add_vuspsi : 4.90s CPU 5.19s WALL ( 9524 calls) General routines calbec : 3.84s CPU 3.95s WALL ( 9524 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 34.91s CPU 35.88s WALL ( 780636 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.18s WALL ( 676 calls) Parallel routines fft_scatter : 18.00s CPU 18.07s WALL ( 780659 calls) PWSCF : 1m55.80s CPU 2m 8.62s WALL This run was terminated on: 21: 9:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=