Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:15 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: ./ZrNiP.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 19 5 1000 780 123 Max 23 20 6 1013 795 132 Sum 823 691 211 36301 28267 4587 bravais-lattice index = 14 lattice parameter (alat) = 7.1167 a.u. unit-cell volume = 592.7268 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.116708 celldm(2)= 1.000000 celldm(3)= 1.898832 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 1.898832 ) 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 0.526640 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 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 Zr 4.00 91.22400 Zr( 1.00) Ni 10.00 58.69340 Ni( 1.00) P 5.00 30.97380 P( 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 ) ( -0.9494158 ) 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 ) ( 0.9494158 ) 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 ) ( -0.9494158 ) 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 ) ( -0.9494158 ) 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 ) ( 0.9494158 ) 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 ) ( 0.9494158 ) 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 ) ( 0.9494158 ) 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 ) ( -0.9494158 ) 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 ) ( 0.9494158 ) 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 ) ( 0.9494158 ) 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 ) ( -0.9494158 ) 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 ) ( -0.9494158 ) 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= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0029326 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0029326 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0029326 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0029326 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0029326 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0029326 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0029326 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0029326 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0029326 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0029326 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0029326 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0029326 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0029326 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0029326 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0029326 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0029326 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0029326 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0029326 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0029326 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0029326 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0029326 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0029326 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0029326 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0029326 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0029326 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0029326 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0029326 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0029326 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0029326 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0029326 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0029326 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0029326 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0029326 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0029326 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0029326 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0029326 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0029326 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0029326 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0029326 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0029326 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0029326 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0029326 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 52) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0029326 k( 53) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0029326 k( 54) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0029326 k( 55) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0029326 k( 56) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0029326 k( 57) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0029326 k( 58) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0029326 k( 59) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0029326 k( 60) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0029326 k( 61) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0029326 k( 62) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0029326 k( 63) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0029326 k( 64) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0029326 k( 65) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029326 k( 66) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0029326 k( 67) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0029326 k( 70) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0029326 k( 71) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0029326 k( 72) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0029326 k( 73) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0029326 k( 74) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0029326 k( 75) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0029326 k( 76) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0029326 k( 77) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0029326 k( 78) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0029326 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 81) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0029326 k( 82) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0029326 k( 83) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0029326 k( 84) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0029326 k( 85) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0029326 k( 86) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0029326 k( 87) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0029326 k( 88) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0029326 k( 89) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0029326 k( 90) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0029326 k( 91) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0029326 k( 92) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0029326 k( 93) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0029326 k( 94) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0029326 k( 95) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0029326 k( 96) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0029326 k( 97) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0029326 k( 98) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0029326 k( 99) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0029326 k( 100) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0029326 k( 101) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0029326 k( 102) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0029326 k( 103) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0029326 k( 104) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0029326 k( 105) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0029326 k( 106) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0029326 k( 107) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0029326 k( 108) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029326 k( 109) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0029326 k( 110) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0029326 k( 111) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0029326 k( 112) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0029326 k( 113) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0029326 k( 114) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0029326 k( 117) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0029326 k( 118) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0029326 k( 120) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0029326 k( 121) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0029326 k( 122) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0029326 k( 123) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0029326 k( 124) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0029326 k( 125) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0029326 k( 131) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0029326 k( 134) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0029326 k( 135) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0119691), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0239382), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0359072), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0478763), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.0598454), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.0718145), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.0837836), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.0957527), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.1077217), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.1196908), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.1316599), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.1436290), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.1555981), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.1675672), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.1795362), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.1915053), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.2034744), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.2154435), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.2274126), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.2393816), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.2513507), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.2633198), wk = 0.0029326 k( 160) = ( 0.0000000 0.0000000 0.2633198), wk = 0.0029326 k( 161) = ( 0.0102041 0.0058913 0.2633198), wk = 0.0029326 k( 162) = ( 0.0204082 0.0117827 0.2633198), wk = 0.0029326 k( 163) = ( 0.0306122 0.0176740 0.2633198), wk = 0.0029326 k( 164) = ( 0.0408163 0.0235653 0.2633198), wk = 0.0029326 k( 165) = ( 0.0510204 0.0294566 0.2633198), wk = 0.0029326 k( 166) = ( 0.0612245 0.0353480 0.2633198), wk = 0.0029326 k( 167) = ( 0.0714286 0.0412393 0.2633198), wk = 0.0029326 k( 168) = ( 0.0816327 0.0471306 0.2633198), wk = 0.0029326 k( 169) = ( 0.0918367 0.0530220 0.2633198), wk = 0.0029326 k( 170) = ( 0.1020408 0.0589133 0.2633198), wk = 0.0029326 k( 171) = ( 0.1122449 0.0648046 0.2633198), wk = 0.0029326 k( 172) = ( 0.1224490 0.0706960 0.2633198), wk = 0.0029326 k( 173) = ( 0.1326531 0.0765873 0.2633198), wk = 0.0029326 k( 174) = ( 0.1428571 0.0824786 0.2633198), wk = 0.0029326 k( 175) = ( 0.1530612 0.0883699 0.2633198), wk = 0.0029326 k( 176) = ( 0.1632653 0.0942613 0.2633198), wk = 0.0029326 k( 177) = ( 0.1734694 0.1001526 0.2633198), wk = 0.0029326 k( 178) = ( 0.1836735 0.1060439 0.2633198), wk = 0.0029326 k( 179) = ( 0.1938776 0.1119353 0.2633198), wk = 0.0029326 k( 180) = ( 0.2040816 0.1178266 0.2633198), wk = 0.0029326 k( 181) = ( 0.2142857 0.1237179 0.2633198), wk = 0.0029326 k( 182) = ( 0.2244898 0.1296092 0.2633198), wk = 0.0029326 k( 183) = ( 0.2346939 0.1355006 0.2633198), wk = 0.0029326 k( 184) = ( 0.2448980 0.1413919 0.2633198), wk = 0.0029326 k( 185) = ( 0.2551020 0.1472832 0.2633198), wk = 0.0029326 k( 186) = ( 0.2653061 0.1531746 0.2633198), wk = 0.0029326 k( 187) = ( 0.2755102 0.1590659 0.2633198), wk = 0.0029326 k( 188) = ( 0.2857143 0.1649572 0.2633198), wk = 0.0029326 k( 189) = ( 0.2959184 0.1708486 0.2633198), wk = 0.0029326 k( 190) = ( 0.3061224 0.1767399 0.2633198), wk = 0.0029326 k( 191) = ( 0.3163265 0.1826312 0.2633198), wk = 0.0029326 k( 192) = ( 0.3265306 0.1885225 0.2633198), wk = 0.0029326 k( 193) = ( 0.3367347 0.1944139 0.2633198), wk = 0.0029326 k( 194) = ( 0.3469388 0.2003052 0.2633198), wk = 0.0029326 k( 195) = ( 0.3571429 0.2061965 0.2633198), wk = 0.0029326 k( 196) = ( 0.3673469 0.2120879 0.2633198), wk = 0.0029326 k( 197) = ( 0.3775510 0.2179792 0.2633198), wk = 0.0029326 k( 198) = ( 0.3877551 0.2238705 0.2633198), wk = 0.0029326 k( 199) = ( 0.3979592 0.2297618 0.2633198), wk = 0.0029326 k( 200) = ( 0.4081633 0.2356532 0.2633198), wk = 0.0029326 k( 201) = ( 0.4183674 0.2415445 0.2633198), wk = 0.0029326 k( 202) = ( 0.4285714 0.2474358 0.2633198), wk = 0.0029326 k( 203) = ( 0.4387755 0.2533272 0.2633198), wk = 0.0029326 k( 204) = ( 0.4489796 0.2592185 0.2633198), wk = 0.0029326 k( 205) = ( 0.4591837 0.2651098 0.2633198), wk = 0.0029326 k( 206) = ( 0.4693878 0.2710011 0.2633198), wk = 0.0029326 k( 207) = ( 0.4795918 0.2768925 0.2633198), wk = 0.0029326 k( 208) = ( 0.4897959 0.2827838 0.2633198), wk = 0.0029326 k( 209) = ( 0.5000000 0.2886751 0.2633198), wk = 0.0029326 k( 210) = ( 0.5000000 0.2886751 0.2633198), wk = 0.0029326 k( 211) = ( 0.4940476 0.2989850 0.2633198), wk = 0.0029326 k( 212) = ( 0.4880952 0.3092948 0.2633198), wk = 0.0029326 k( 213) = ( 0.4821429 0.3196046 0.2633198), wk = 0.0029326 k( 214) = ( 0.4761905 0.3299144 0.2633198), wk = 0.0029326 k( 215) = ( 0.4702381 0.3402243 0.2633198), wk = 0.0029326 k( 216) = ( 0.4642857 0.3505341 0.2633198), wk = 0.0029326 k( 217) = ( 0.4583333 0.3608439 0.2633198), wk = 0.0029326 k( 218) = ( 0.4523810 0.3711537 0.2633198), wk = 0.0029326 k( 219) = ( 0.4464286 0.3814636 0.2633198), wk = 0.0029326 k( 220) = ( 0.4404762 0.3917734 0.2633198), wk = 0.0029326 k( 221) = ( 0.4345238 0.4020832 0.2633198), wk = 0.0029326 k( 222) = ( 0.4285714 0.4123930 0.2633198), wk = 0.0029326 k( 223) = ( 0.4226190 0.4227029 0.2633198), wk = 0.0029326 k( 224) = ( 0.4166667 0.4330127 0.2633198), wk = 0.0029326 k( 225) = ( 0.4107143 0.4433225 0.2633198), wk = 0.0029326 k( 226) = ( 0.4047619 0.4536324 0.2633198), wk = 0.0029326 k( 227) = ( 0.3988095 0.4639422 0.2633198), wk = 0.0029326 k( 228) = ( 0.3928571 0.4742520 0.2633198), wk = 0.0029326 k( 229) = ( 0.3869048 0.4845618 0.2633198), wk = 0.0029326 k( 230) = ( 0.3809524 0.4948717 0.2633198), wk = 0.0029326 k( 231) = ( 0.3750000 0.5051815 0.2633198), wk = 0.0029326 k( 232) = ( 0.3690476 0.5154913 0.2633198), wk = 0.0029326 k( 233) = ( 0.3630952 0.5258011 0.2633198), wk = 0.0029326 k( 234) = ( 0.3571429 0.5361110 0.2633198), wk = 0.0029326 k( 235) = ( 0.3511905 0.5464208 0.2633198), wk = 0.0029326 k( 236) = ( 0.3452381 0.5567306 0.2633198), wk = 0.0029326 k( 237) = ( 0.3392857 0.5670404 0.2633198), wk = 0.0029326 k( 238) = ( 0.3333333 0.5773503 0.2633198), wk = 0.0029326 k( 239) = ( 0.3333333 0.5773503 0.2633198), wk = 0.0029326 k( 240) = ( 0.3273810 0.5670404 0.2633198), wk = 0.0029326 k( 241) = ( 0.3214286 0.5567306 0.2633198), wk = 0.0029326 k( 242) = ( 0.3154762 0.5464208 0.2633198), wk = 0.0029326 k( 243) = ( 0.3095238 0.5361110 0.2633198), wk = 0.0029326 k( 244) = ( 0.3035714 0.5258011 0.2633198), wk = 0.0029326 k( 245) = ( 0.2976190 0.5154913 0.2633198), wk = 0.0029326 k( 246) = ( 0.2916667 0.5051815 0.2633198), wk = 0.0029326 k( 247) = ( 0.2857143 0.4948717 0.2633198), wk = 0.0029326 k( 248) = ( 0.2797619 0.4845618 0.2633198), wk = 0.0029326 k( 249) = ( 0.2738095 0.4742520 0.2633198), wk = 0.0029326 k( 250) = ( 0.2678571 0.4639422 0.2633198), wk = 0.0029326 k( 251) = ( 0.2619048 0.4536324 0.2633198), wk = 0.0029326 k( 252) = ( 0.2559524 0.4433225 0.2633198), wk = 0.0029326 k( 253) = ( 0.2500000 0.4330127 0.2633198), wk = 0.0029326 k( 254) = ( 0.2440476 0.4227029 0.2633198), wk = 0.0029326 k( 255) = ( 0.2380952 0.4123931 0.2633198), wk = 0.0029326 k( 256) = ( 0.2321429 0.4020832 0.2633198), wk = 0.0029326 k( 257) = ( 0.2261905 0.3917734 0.2633198), wk = 0.0029326 k( 258) = ( 0.2202381 0.3814636 0.2633198), wk = 0.0029326 k( 259) = ( 0.2142857 0.3711537 0.2633198), wk = 0.0029326 k( 260) = ( 0.2083333 0.3608439 0.2633198), wk = 0.0029326 k( 261) = ( 0.2023810 0.3505341 0.2633198), wk = 0.0029326 k( 262) = ( 0.1964286 0.3402243 0.2633198), wk = 0.0029326 k( 263) = ( 0.1904762 0.3299144 0.2633198), wk = 0.0029326 k( 264) = ( 0.1845238 0.3196046 0.2633198), wk = 0.0029326 k( 265) = ( 0.1785714 0.3092948 0.2633198), wk = 0.0029326 k( 266) = ( 0.1726190 0.2989850 0.2633198), wk = 0.0029326 k( 267) = ( 0.1666667 0.2886751 0.2633198), wk = 0.0029326 k( 268) = ( 0.1607143 0.2783653 0.2633198), wk = 0.0029326 k( 269) = ( 0.1547619 0.2680555 0.2633198), wk = 0.0029326 k( 270) = ( 0.1488095 0.2577456 0.2633198), wk = 0.0029326 k( 271) = ( 0.1428571 0.2474358 0.2633198), wk = 0.0029326 k( 272) = ( 0.1369048 0.2371260 0.2633198), wk = 0.0029326 k( 273) = ( 0.1309524 0.2268162 0.2633198), wk = 0.0029326 k( 274) = ( 0.1250000 0.2165064 0.2633198), wk = 0.0029326 k( 275) = ( 0.1190476 0.2061965 0.2633198), wk = 0.0029326 k( 276) = ( 0.1130952 0.1958867 0.2633198), wk = 0.0029326 k( 277) = ( 0.1071429 0.1855769 0.2633198), wk = 0.0029326 k( 278) = ( 0.1011905 0.1752671 0.2633198), wk = 0.0029326 k( 279) = ( 0.0952381 0.1649572 0.2633198), wk = 0.0029326 k( 280) = ( 0.0892857 0.1546474 0.2633198), wk = 0.0029326 k( 281) = ( 0.0833333 0.1443376 0.2633198), wk = 0.0029326 k( 282) = ( 0.0773810 0.1340277 0.2633198), wk = 0.0029326 k( 283) = ( 0.0714286 0.1237179 0.2633198), wk = 0.0029326 k( 284) = ( 0.0654762 0.1134081 0.2633198), wk = 0.0029326 k( 285) = ( 0.0595238 0.1030983 0.2633198), wk = 0.0029326 k( 286) = ( 0.0535714 0.0927884 0.2633198), wk = 0.0029326 k( 287) = ( 0.0476191 0.0824786 0.2633198), wk = 0.0029326 k( 288) = ( 0.0416667 0.0721688 0.2633198), wk = 0.0029326 k( 289) = ( 0.0357143 0.0618590 0.2633198), wk = 0.0029326 k( 290) = ( 0.0297619 0.0515491 0.2633198), wk = 0.0029326 k( 291) = ( 0.0238095 0.0412393 0.2633198), wk = 0.0029326 k( 292) = ( 0.0178571 0.0309295 0.2633198), wk = 0.0029326 k( 293) = ( 0.0119048 0.0206196 0.2633198), wk = 0.0029326 k( 294) = ( 0.0059524 0.0103098 0.2633198), wk = 0.0029326 k( 295) = ( 0.0000000 0.0000000 0.2633198), wk = 0.0029326 k( 296) = ( 0.5000000 0.2886751 0.2633198), wk = 0.0029326 k( 297) = ( 0.5000000 0.2886751 0.2513507), wk = 0.0029326 k( 298) = ( 0.5000000 0.2886751 0.2393816), wk = 0.0029326 k( 299) = ( 0.5000000 0.2886751 0.2274126), wk = 0.0029326 k( 300) = ( 0.5000000 0.2886751 0.2154435), wk = 0.0029326 k( 301) = ( 0.5000000 0.2886751 0.2034744), wk = 0.0029326 k( 302) = ( 0.5000000 0.2886751 0.1915053), wk = 0.0029326 k( 303) = ( 0.5000000 0.2886751 0.1795362), wk = 0.0029326 k( 304) = ( 0.5000000 0.2886751 0.1675672), wk = 0.0029326 k( 305) = ( 0.5000000 0.2886751 0.1555981), wk = 0.0029326 k( 306) = ( 0.5000000 0.2886751 0.1436290), wk = 0.0029326 k( 307) = ( 0.5000000 0.2886751 0.1316599), wk = 0.0029326 k( 308) = ( 0.5000000 0.2886751 0.1196908), wk = 0.0029326 k( 309) = ( 0.5000000 0.2886751 0.1077217), wk = 0.0029326 k( 310) = ( 0.5000000 0.2886751 0.0957527), wk = 0.0029326 k( 311) = ( 0.5000000 0.2886751 0.0837836), wk = 0.0029326 k( 312) = ( 0.5000000 0.2886751 0.0718145), wk = 0.0029326 k( 313) = ( 0.5000000 0.2886751 0.0598454), wk = 0.0029326 k( 314) = ( 0.5000000 0.2886751 0.0478763), wk = 0.0029326 k( 315) = ( 0.5000000 0.2886751 0.0359072), wk = 0.0029326 k( 316) = ( 0.5000000 0.2886751 0.0239382), wk = 0.0029326 k( 317) = ( 0.5000000 0.2886751 0.0119691), wk = 0.0029326 k( 318) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 319) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 320) = ( 0.3333333 0.5773503 0.0119691), wk = 0.0029326 k( 321) = ( 0.3333333 0.5773503 0.0239382), wk = 0.0029326 k( 322) = ( 0.3333333 0.5773503 0.0359072), wk = 0.0029326 k( 323) = ( 0.3333333 0.5773503 0.0478763), wk = 0.0029326 k( 324) = ( 0.3333333 0.5773503 0.0598454), wk = 0.0029326 k( 325) = ( 0.3333333 0.5773503 0.0718145), wk = 0.0029326 k( 326) = ( 0.3333333 0.5773503 0.0837836), wk = 0.0029326 k( 327) = ( 0.3333333 0.5773503 0.0957527), wk = 0.0029326 k( 328) = ( 0.3333333 0.5773503 0.1077217), wk = 0.0029326 k( 329) = ( 0.3333333 0.5773503 0.1196908), wk = 0.0029326 k( 330) = ( 0.3333333 0.5773503 0.1316599), wk = 0.0029326 k( 331) = ( 0.3333333 0.5773503 0.1436290), wk = 0.0029326 k( 332) = ( 0.3333333 0.5773503 0.1555981), wk = 0.0029326 k( 333) = ( 0.3333333 0.5773503 0.1675672), wk = 0.0029326 k( 334) = ( 0.3333333 0.5773503 0.1795362), wk = 0.0029326 k( 335) = ( 0.3333333 0.5773503 0.1915053), wk = 0.0029326 k( 336) = ( 0.3333333 0.5773503 0.2034744), wk = 0.0029326 k( 337) = ( 0.3333333 0.5773503 0.2154435), wk = 0.0029326 k( 338) = ( 0.3333333 0.5773503 0.2274126), wk = 0.0029326 k( 339) = ( 0.3333333 0.5773503 0.2393816), wk = 0.0029326 k( 340) = ( 0.3333333 0.5773503 0.2513507), wk = 0.0029326 k( 341) = ( 0.3333333 0.5773503 0.2633198), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0102041 0.0000000 0.0000000), wk = 0.0029326 k( 3) = ( 0.0204082 0.0000000 0.0000000), wk = 0.0029326 k( 4) = ( 0.0306122 0.0000000 0.0000000), wk = 0.0029326 k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0029326 k( 6) = ( 0.0510204 0.0000000 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0029326 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0029326 k( 9) = ( 0.0816327 0.0000000 0.0000000), wk = 0.0029326 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0029326 k( 11) = ( 0.1020408 0.0000000 -0.0000000), wk = 0.0029326 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0029326 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0029326 k( 14) = ( 0.1326531 0.0000000 0.0000000), wk = 0.0029326 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0029326 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0029326 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0029326 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0029326 k( 19) = ( 0.1836735 0.0000000 0.0000000), wk = 0.0029326 k( 20) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0029326 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0029326 k( 22) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0029326 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0029326 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0029326 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0029326 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0029326 k( 27) = ( 0.2653061 0.0000000 0.0000000), wk = 0.0029326 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0029326 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0029326 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0029326 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0029326 k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0029326 k( 33) = ( 0.3265306 0.0000000 -0.0000000), wk = 0.0029326 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0029326 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0029326 k( 36) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0029326 k( 37) = ( 0.3673469 0.0000000 0.0000000), wk = 0.0029326 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0029326 k( 39) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0029326 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0029326 k( 41) = ( 0.4081633 0.0000000 0.0000000), wk = 0.0029326 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0029326 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0029326 k( 44) = ( 0.4387755 0.0000000 -0.0000000), wk = 0.0029326 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0029326 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0029326 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0029326 k( 48) = ( 0.4795918 0.0000000 -0.0000000), wk = 0.0029326 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0029326 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029326 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029326 k( 52) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0029326 k( 53) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0029326 k( 54) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0029326 k( 55) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0029326 k( 56) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0029326 k( 57) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0029326 k( 58) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0029326 k( 59) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0029326 k( 60) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0029326 k( 61) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0029326 k( 62) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0029326 k( 63) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0029326 k( 64) = ( 0.4226190 0.1547619 -0.0000000), wk = 0.0029326 k( 65) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029326 k( 66) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0029326 k( 67) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0029326 k( 69) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0029326 k( 70) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0029326 k( 71) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0029326 k( 72) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0029326 k( 73) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0029326 k( 74) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0029326 k( 75) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0029326 k( 76) = ( 0.3511905 0.2976190 0.0000000), wk = 0.0029326 k( 77) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0029326 k( 78) = ( 0.3392857 0.3214286 -0.0000000), wk = 0.0029326 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029326 k( 80) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029326 k( 81) = ( 0.3273810 0.3273810 -0.0000000), wk = 0.0029326 k( 82) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0029326 k( 83) = ( 0.3154762 0.3154762 -0.0000000), wk = 0.0029326 k( 84) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0029326 k( 85) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0029326 k( 86) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0029326 k( 87) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0029326 k( 88) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0029326 k( 89) = ( 0.2797619 0.2797619 0.0000000), wk = 0.0029326 k( 90) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0029326 k( 91) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0029326 k( 92) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0029326 k( 93) = ( 0.2559524 0.2559524 0.0000000), wk = 0.0029326 k( 94) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029326 k( 95) = ( 0.2440476 0.2440476 -0.0000000), wk = 0.0029326 k( 96) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0029326 k( 97) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0029326 k( 98) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0029326 k( 99) = ( 0.2202381 0.2202381 0.0000000), wk = 0.0029326 k( 100) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0029326 k( 101) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0029326 k( 102) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0029326 k( 103) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0029326 k( 104) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0029326 k( 105) = ( 0.1845238 0.1845238 0.0000000), wk = 0.0029326 k( 106) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0029326 k( 107) = ( 0.1726190 0.1726190 0.0000000), wk = 0.0029326 k( 108) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029326 k( 109) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0029326 k( 110) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0029326 k( 111) = ( 0.1488095 0.1488095 0.0000000), wk = 0.0029326 k( 112) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0029326 k( 113) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0029326 k( 114) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0029326 k( 116) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0029326 k( 117) = ( 0.1130952 0.1130952 0.0000000), wk = 0.0029326 k( 118) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1011905 0.1011905 -0.0000000), wk = 0.0029326 k( 120) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0029326 k( 121) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0029326 k( 122) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0029326 k( 123) = ( 0.0773810 0.0773810 0.0000000), wk = 0.0029326 k( 124) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0029326 k( 125) = ( 0.0654762 0.0654762 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0029326 k( 127) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0029326 k( 129) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0029326 k( 131) = ( 0.0297619 0.0297619 0.0000000), wk = 0.0029326 k( 132) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0029326 k( 133) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0029326 k( 134) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0029326 k( 135) = ( 0.0059524 0.0059524 0.0000000), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 161) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0029326 k( 162) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0029326 k( 163) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0029326 k( 164) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0029326 k( 165) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0029326 k( 166) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0029326 k( 167) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0029326 k( 168) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0029326 k( 169) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0029326 k( 170) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0029326 k( 171) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0029326 k( 172) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0029326 k( 173) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0029326 k( 174) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0029326 k( 175) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0029326 k( 176) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0029326 k( 177) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0029326 k( 178) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0029326 k( 179) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0029326 k( 180) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0029326 k( 181) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0029326 k( 182) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0029326 k( 183) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0029326 k( 184) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0029326 k( 185) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0029326 k( 186) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0029326 k( 187) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0029326 k( 188) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0029326 k( 189) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0029326 k( 190) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0029326 k( 191) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0029326 k( 192) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0029326 k( 193) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0029326 k( 194) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0029326 k( 195) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0029326 k( 196) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0029326 k( 197) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0029326 k( 198) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0029326 k( 199) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0029326 k( 200) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0029326 k( 201) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0029326 k( 202) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0029326 k( 203) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0029326 k( 204) = ( 0.4489796 0.0000000 0.5000000), wk = 0.0029326 k( 205) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0029326 k( 206) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0029326 k( 207) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0029326 k( 208) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0029326 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 211) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0029326 k( 212) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0029326 k( 213) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0029326 k( 214) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0029326 k( 215) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0029326 k( 216) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0029326 k( 217) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0029326 k( 218) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0029326 k( 219) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0029326 k( 220) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0029326 k( 221) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0029326 k( 222) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0029326 k( 223) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0029326 k( 224) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029326 k( 225) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0029326 k( 226) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0029326 k( 227) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0029326 k( 228) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0029326 k( 229) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0029326 k( 230) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0029326 k( 231) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0029326 k( 232) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0029326 k( 233) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0029326 k( 234) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0029326 k( 235) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0029326 k( 236) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0029326 k( 237) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0029326 k( 238) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 k( 240) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0029326 k( 241) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0029326 k( 242) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0029326 k( 243) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0029326 k( 244) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0029326 k( 245) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0029326 k( 246) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0029326 k( 247) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0029326 k( 248) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0029326 k( 249) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0029326 k( 250) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0029326 k( 251) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0029326 k( 252) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0029326 k( 253) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029326 k( 254) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0029326 k( 255) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0029326 k( 256) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0029326 k( 257) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0029326 k( 258) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0029326 k( 259) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0029326 k( 260) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0029326 k( 261) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0029326 k( 262) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0029326 k( 263) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0029326 k( 264) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0029326 k( 265) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0029326 k( 266) = ( 0.1726190 0.1726190 0.5000000), wk = 0.0029326 k( 267) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029326 k( 268) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0029326 k( 269) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0029326 k( 270) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0029326 k( 271) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0029326 k( 272) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0029326 k( 273) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0029326 k( 274) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0029326 k( 275) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0029326 k( 276) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0029326 k( 277) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0029326 k( 278) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0029326 k( 279) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0029326 k( 280) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0029326 k( 281) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0029326 k( 282) = ( 0.0773810 0.0773810 0.5000000), wk = 0.0029326 k( 283) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0029326 k( 284) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0029326 k( 285) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0029326 k( 286) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0029326 k( 287) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0029326 k( 288) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0029326 k( 289) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0029326 k( 290) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0029326 k( 291) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0029326 k( 292) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0029326 k( 293) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0029326 k( 294) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0029326 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 296) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 297) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0029326 k( 298) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0029326 k( 299) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0029326 k( 300) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0029326 k( 301) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0029326 k( 302) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0029326 k( 303) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0029326 k( 304) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0029326 k( 305) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0029326 k( 306) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0029326 k( 307) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029326 k( 308) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0029326 k( 309) = ( 0.5000000 0.0000000 0.2045455), wk = 0.0029326 k( 310) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0029326 k( 311) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0029326 k( 312) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0029326 k( 313) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0029326 k( 314) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0029326 k( 315) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0029326 k( 316) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0029326 k( 317) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0029326 k( 318) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029326 k( 319) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029326 k( 320) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0029326 k( 321) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0029326 k( 322) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0029326 k( 323) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0029326 k( 324) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0029326 k( 325) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0029326 k( 326) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0029326 k( 327) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0029326 k( 328) = ( 0.3333333 0.3333333 0.2045455), wk = 0.0029326 k( 329) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0029326 k( 330) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029326 k( 331) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0029326 k( 332) = ( 0.3333333 0.3333333 0.2954546), wk = 0.0029326 k( 333) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0029326 k( 334) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0029326 k( 335) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0029326 k( 336) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0029326 k( 337) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0029326 k( 338) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0029326 k( 339) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0029326 k( 340) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0029326 k( 341) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 Dense grid: 36301 G-vectors FFT dimensions: ( 36, 36, 72) Smooth grid: 28267 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 192, 46) NL pseudopotentials 0.25 Mb ( 96, 168) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 1013) G-vector shells 0.00 Mb ( 468) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 192, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.24 Mb ( 168, 2, 46) The potential is recalculated from file : ./ZrNiP.save/charge-density.dat Starting wfc are 88 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 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.0 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.4 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 15.3 secs Computing kpt #: 28 total cpu time spent up to now is 15.8 secs Computing kpt #: 29 total cpu time spent up to now is 16.3 secs Computing kpt #: 30 total cpu time spent up to now is 16.9 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.9 secs Computing kpt #: 33 total cpu time spent up to now is 18.3 secs Computing kpt #: 34 total cpu time spent up to now is 18.8 secs Computing kpt #: 35 total cpu time spent up to now is 19.2 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 total cpu time spent up to now is 20.0 secs Computing kpt #: 38 total cpu time spent up to now is 20.5 secs Computing kpt #: 39 total cpu time spent up to now is 20.9 secs Computing kpt #: 40 total cpu time spent up to now is 21.3 secs Computing kpt #: 41 total cpu time spent up to now is 21.8 secs Computing kpt #: 42 total cpu time spent up to now is 22.2 secs Computing kpt #: 43 total cpu time spent up to now is 22.7 secs Computing kpt #: 44 total cpu time spent up to now is 23.2 secs Computing kpt #: 45 total cpu time spent up to now is 23.7 secs Computing kpt #: 46 total cpu time spent up to now is 24.2 secs Computing kpt #: 47 total cpu time spent up to now is 24.7 secs Computing kpt #: 48 total cpu time spent up to now is 25.2 secs Computing kpt #: 49 total cpu time spent up to now is 25.9 secs Computing kpt #: 50 total cpu time spent up to now is 26.6 secs Computing kpt #: 51 total cpu time spent up to now is 27.4 secs Computing kpt #: 52 total cpu time spent up to now is 28.1 secs Computing kpt #: 53 total cpu time spent up to now is 28.9 secs Computing kpt #: 54 total cpu time spent up to now is 29.4 secs Computing kpt #: 55 total cpu time spent up to now is 29.8 secs Computing kpt #: 56 total cpu time spent up to now is 30.3 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.1 secs Computing kpt #: 59 total cpu time spent up to now is 31.5 secs Computing kpt #: 60 total cpu time spent up to now is 31.9 secs Computing kpt #: 61 total cpu time spent up to now is 32.3 secs Computing kpt #: 62 total cpu time spent up to now is 32.7 secs Computing kpt #: 63 total cpu time spent up to now is 33.1 secs Computing kpt #: 64 total cpu time spent up to now is 33.5 secs Computing kpt #: 65 total cpu time spent up to now is 33.9 secs Computing kpt #: 66 total cpu time spent up to now is 34.3 secs Computing kpt #: 67 total cpu time spent up to now is 34.7 secs Computing kpt #: 68 total cpu time spent up to now is 35.1 secs Computing kpt #: 69 total cpu time spent up to now is 35.5 secs Computing kpt #: 70 total cpu time spent up to now is 35.9 secs Computing kpt #: 71 total cpu time spent up to now is 36.3 secs Computing kpt #: 72 total cpu time spent up to now is 36.7 secs Computing kpt #: 73 total cpu time spent up to now is 37.0 secs Computing kpt #: 74 total cpu time spent up to now is 37.4 secs Computing kpt #: 75 total cpu time spent up to now is 37.8 secs Computing kpt #: 76 total cpu time spent up to now is 38.2 secs Computing kpt #: 77 total cpu time spent up to now is 38.6 secs Computing kpt #: 78 total cpu time spent up to now is 39.1 secs Computing kpt #: 79 total cpu time spent up to now is 39.6 secs Computing kpt #: 80 total cpu time spent up to now is 40.1 secs Computing kpt #: 81 total cpu time spent up to now is 40.5 secs Computing kpt #: 82 total cpu time spent up to now is 40.9 secs Computing kpt #: 83 total cpu time spent up to now is 41.3 secs Computing kpt #: 84 total cpu time spent up to now is 41.8 secs Computing kpt #: 85 total cpu time spent up to now is 42.2 secs Computing kpt #: 86 total cpu time spent up to now is 42.5 secs Computing kpt #: 87 total cpu time spent up to now is 42.9 secs Computing kpt #: 88 total cpu time spent up to now is 43.3 secs Computing kpt #: 89 total cpu time spent up to now is 43.7 secs Computing kpt #: 90 total cpu time spent up to now is 44.1 secs Computing kpt #: 91 total cpu time spent up to now is 44.5 secs Computing kpt #: 92 total cpu time spent up to now is 44.8 secs Computing kpt #: 93 total cpu time spent up to now is 45.2 secs Computing kpt #: 94 total cpu time spent up to now is 45.6 secs Computing kpt #: 95 total cpu time spent up to now is 46.0 secs Computing kpt #: 96 total cpu time spent up to now is 46.4 secs Computing kpt #: 97 total cpu time spent up to now is 46.7 secs Computing kpt #: 98 total cpu time spent up to now is 47.1 secs Computing kpt #: 99 total cpu time spent up to now is 47.5 secs Computing kpt #: 100 total cpu time spent up to now is 47.9 secs Computing kpt #: 101 total cpu time spent up to now is 48.3 secs Computing kpt #: 102 total cpu time spent up to now is 48.8 secs Computing kpt #: 103 total cpu time spent up to now is 49.3 secs Computing kpt #: 104 total cpu time spent up to now is 49.8 secs Computing kpt #: 105 total cpu time spent up to now is 50.3 secs Computing kpt #: 106 total cpu time spent up to now is 50.8 secs Computing kpt #: 107 total cpu time spent up to now is 51.3 secs Computing kpt #: 108 total cpu time spent up to now is 51.7 secs Computing kpt #: 109 total cpu time spent up to now is 52.2 secs Computing kpt #: 110 total cpu time spent up to now is 52.8 secs Computing kpt #: 111 total cpu time spent up to now is 53.8 secs Computing kpt #: 112 total cpu time spent up to now is 54.3 secs Computing kpt #: 113 total cpu time spent up to now is 54.8 secs Computing kpt #: 114 total cpu time spent up to now is 55.2 secs Computing kpt #: 115 total cpu time spent up to now is 55.7 secs Computing kpt #: 116 total cpu time spent up to now is 56.2 secs Computing kpt #: 117 total cpu time spent up to now is 56.7 secs Computing kpt #: 118 total cpu time spent up to now is 57.2 secs Computing kpt #: 119 total cpu time spent up to now is 57.8 secs Computing kpt #: 120 total cpu time spent up to now is 58.3 secs Computing kpt #: 121 total cpu time spent up to now is 58.8 secs Computing kpt #: 122 total cpu time spent up to now is 59.4 secs Computing kpt #: 123 total cpu time spent up to now is 59.9 secs Computing kpt #: 124 total cpu time spent up to now is 60.4 secs Computing kpt #: 125 total cpu time spent up to now is 60.9 secs Computing kpt #: 126 total cpu time spent up to now is 61.4 secs Computing kpt #: 127 total cpu time spent up to now is 61.9 secs Computing kpt #: 128 total cpu time spent up to now is 62.4 secs Computing kpt #: 129 total cpu time spent up to now is 62.8 secs Computing kpt #: 130 total cpu time spent up to now is 63.3 secs Computing kpt #: 131 total cpu time spent up to now is 63.7 secs Computing kpt #: 132 total cpu time spent up to now is 64.2 secs Computing kpt #: 133 total cpu time spent up to now is 64.6 secs Computing kpt #: 134 total cpu time spent up to now is 65.0 secs Computing kpt #: 135 total cpu time spent up to now is 65.4 secs Computing kpt #: 136 total cpu time spent up to now is 65.9 secs Computing kpt #: 137 total cpu time spent up to now is 66.3 secs Computing kpt #: 138 total cpu time spent up to now is 66.8 secs Computing kpt #: 139 total cpu time spent up to now is 67.2 secs Computing kpt #: 140 total cpu time spent up to now is 67.6 secs Computing kpt #: 141 total cpu time spent up to now is 68.0 secs Computing kpt #: 142 total cpu time spent up to now is 68.4 secs Computing kpt #: 143 total cpu time spent up to now is 68.9 secs Computing kpt #: 144 total cpu time spent up to now is 69.4 secs Computing kpt #: 145 total cpu time spent up to now is 69.8 secs Computing kpt #: 146 total cpu time spent up to now is 70.2 secs Computing kpt #: 147 total cpu time spent up to now is 70.7 secs Computing kpt #: 148 total cpu time spent up to now is 71.1 secs Computing kpt #: 149 total cpu time spent up to now is 71.6 secs Computing kpt #: 150 total cpu time spent up to now is 72.1 secs Computing kpt #: 151 total cpu time spent up to now is 72.6 secs Computing kpt #: 152 total cpu time spent up to now is 73.1 secs Computing kpt #: 153 total cpu time spent up to now is 73.6 secs Computing kpt #: 154 total cpu time spent up to now is 74.1 secs Computing kpt #: 155 total cpu time spent up to now is 74.6 secs Computing kpt #: 156 total cpu time spent up to now is 75.1 secs Computing kpt #: 157 total cpu time spent up to now is 75.6 secs Computing kpt #: 158 total cpu time spent up to now is 76.1 secs Computing kpt #: 159 total cpu time spent up to now is 76.6 secs Computing kpt #: 160 total cpu time spent up to now is 77.1 secs Computing kpt #: 161 total cpu time spent up to now is 77.6 secs Computing kpt #: 162 total cpu time spent up to now is 78.1 secs Computing kpt #: 163 total cpu time spent up to now is 78.5 secs Computing kpt #: 164 total cpu time spent up to now is 79.0 secs Computing kpt #: 165 total cpu time spent up to now is 79.5 secs Computing kpt #: 166 total cpu time spent up to now is 79.9 secs Computing kpt #: 167 total cpu time spent up to now is 80.4 secs Computing kpt #: 168 total cpu time spent up to now is 80.8 secs Computing kpt #: 169 total cpu time spent up to now is 81.2 secs Computing kpt #: 170 total cpu time spent up to now is 81.6 secs Computing kpt #: 171 total cpu time spent up to now is 82.0 secs Computing kpt #: 172 total cpu time spent up to now is 82.4 secs Computing kpt #: 173 total cpu time spent up to now is 82.9 secs Computing kpt #: 174 total cpu time spent up to now is 83.3 secs Computing kpt #: 175 total cpu time spent up to now is 83.7 secs Computing kpt #: 176 total cpu time spent up to now is 84.1 secs Computing kpt #: 177 total cpu time spent up to now is 84.5 secs Computing kpt #: 178 total cpu time spent up to now is 84.9 secs Computing kpt #: 179 total cpu time spent up to now is 85.3 secs Computing kpt #: 180 total cpu time spent up to now is 85.7 secs Computing kpt #: 181 total cpu time spent up to now is 86.1 secs Computing kpt #: 182 total cpu time spent up to now is 86.5 secs Computing kpt #: 183 total cpu time spent up to now is 86.9 secs Computing kpt #: 184 total cpu time spent up to now is 87.3 secs Computing kpt #: 185 total cpu time spent up to now is 87.7 secs Computing kpt #: 186 total cpu time spent up to now is 88.1 secs Computing kpt #: 187 total cpu time spent up to now is 88.5 secs Computing kpt #: 188 total cpu time spent up to now is 89.0 secs Computing kpt #: 189 total cpu time spent up to now is 89.4 secs Computing kpt #: 190 total cpu time spent up to now is 89.8 secs Computing kpt #: 191 total cpu time spent up to now is 90.2 secs Computing kpt #: 192 total cpu time spent up to now is 90.6 secs Computing kpt #: 193 total cpu time spent up to now is 91.1 secs Computing kpt #: 194 total cpu time spent up to now is 91.5 secs Computing kpt #: 195 total cpu time spent up to now is 91.9 secs Computing kpt #: 196 total cpu time spent up to now is 92.4 secs Computing kpt #: 197 total cpu time spent up to now is 92.8 secs Computing kpt #: 198 total cpu time spent up to now is 93.2 secs Computing kpt #: 199 total cpu time spent up to now is 93.7 secs Computing kpt #: 200 total cpu time spent up to now is 94.1 secs Computing kpt #: 201 total cpu time spent up to now is 94.6 secs Computing kpt #: 202 total cpu time spent up to now is 95.0 secs Computing kpt #: 203 total cpu time spent up to now is 95.4 secs Computing kpt #: 204 total cpu time spent up to now is 95.8 secs Computing kpt #: 205 total cpu time spent up to now is 96.3 secs Computing kpt #: 206 total cpu time spent up to now is 96.7 secs Computing kpt #: 207 total cpu time spent up to now is 97.1 secs Computing kpt #: 208 total cpu time spent up to now is 97.6 secs Computing kpt #: 209 total cpu time spent up to now is 98.0 secs Computing kpt #: 210 total cpu time spent up to now is 98.4 secs Computing kpt #: 211 total cpu time spent up to now is 99.2 secs Computing kpt #: 212 total cpu time spent up to now is 99.9 secs Computing kpt #: 213 total cpu time spent up to now is 100.7 secs Computing kpt #: 214 total cpu time spent up to now is 101.5 secs Computing kpt #: 215 total cpu time spent up to now is 102.2 secs Computing kpt #: 216 total cpu time spent up to now is 102.9 secs Computing kpt #: 217 total cpu time spent up to now is 103.6 secs Computing kpt #: 218 total cpu time spent up to now is 104.2 secs Computing kpt #: 219 total cpu time spent up to now is 104.9 secs Computing kpt #: 220 total cpu time spent up to now is 105.5 secs Computing kpt #: 221 total cpu time spent up to now is 106.1 secs Computing kpt #: 222 total cpu time spent up to now is 106.6 secs Computing kpt #: 223 total cpu time spent up to now is 107.1 secs Computing kpt #: 224 total cpu time spent up to now is 107.5 secs Computing kpt #: 225 total cpu time spent up to now is 108.0 secs Computing kpt #: 226 total cpu time spent up to now is 108.5 secs Computing kpt #: 227 total cpu time spent up to now is 109.0 secs Computing kpt #: 228 total cpu time spent up to now is 109.4 secs Computing kpt #: 229 total cpu time spent up to now is 109.9 secs Computing kpt #: 230 total cpu time spent up to now is 110.4 secs Computing kpt #: 231 total cpu time spent up to now is 110.9 secs Computing kpt #: 232 total cpu time spent up to now is 111.4 secs Computing kpt #: 233 total cpu time spent up to now is 111.9 secs Computing kpt #: 234 total cpu time spent up to now is 112.4 secs Computing kpt #: 235 total cpu time spent up to now is 112.9 secs Computing kpt #: 236 total cpu time spent up to now is 113.3 secs Computing kpt #: 237 total cpu time spent up to now is 113.8 secs Computing kpt #: 238 total cpu time spent up to now is 114.3 secs Computing kpt #: 239 total cpu time spent up to now is 114.8 secs Computing kpt #: 240 total cpu time spent up to now is 115.2 secs Computing kpt #: 241 total cpu time spent up to now is 115.7 secs Computing kpt #: 242 total cpu time spent up to now is 116.2 secs Computing kpt #: 243 total cpu time spent up to now is 116.7 secs Computing kpt #: 244 total cpu time spent up to now is 117.2 secs Computing kpt #: 245 total cpu time spent up to now is 117.7 secs Computing kpt #: 246 total cpu time spent up to now is 118.2 secs Computing kpt #: 247 total cpu time spent up to now is 118.7 secs Computing kpt #: 248 total cpu time spent up to now is 119.1 secs Computing kpt #: 249 total cpu time spent up to now is 119.6 secs Computing kpt #: 250 total cpu time spent up to now is 120.1 secs Computing kpt #: 251 total cpu time spent up to now is 120.6 secs Computing kpt #: 252 total cpu time spent up to now is 121.1 secs Computing kpt #: 253 total cpu time spent up to now is 121.6 secs Computing kpt #: 254 total cpu time spent up to now is 122.1 secs Computing kpt #: 255 total cpu time spent up to now is 122.6 secs Computing kpt #: 256 total cpu time spent up to now is 123.1 secs Computing kpt #: 257 total cpu time spent up to now is 123.6 secs Computing kpt #: 258 total cpu time spent up to now is 124.1 secs Computing kpt #: 259 total cpu time spent up to now is 124.6 secs Computing kpt #: 260 total cpu time spent up to now is 125.1 secs Computing kpt #: 261 total cpu time spent up to now is 125.6 secs Computing kpt #: 262 total cpu time spent up to now is 126.0 secs Computing kpt #: 263 total cpu time spent up to now is 126.5 secs Computing kpt #: 264 total cpu time spent up to now is 127.0 secs Computing kpt #: 265 total cpu time spent up to now is 127.5 secs Computing kpt #: 266 total cpu time spent up to now is 128.0 secs Computing kpt #: 267 total cpu time spent up to now is 128.5 secs Computing kpt #: 268 total cpu time spent up to now is 129.0 secs Computing kpt #: 269 total cpu time spent up to now is 129.5 secs Computing kpt #: 270 total cpu time spent up to now is 130.0 secs Computing kpt #: 271 total cpu time spent up to now is 130.5 secs Computing kpt #: 272 total cpu time spent up to now is 130.9 secs Computing kpt #: 273 total cpu time spent up to now is 131.4 secs Computing kpt #: 274 total cpu time spent up to now is 131.9 secs Computing kpt #: 275 total cpu time spent up to now is 132.4 secs Computing kpt #: 276 total cpu time spent up to now is 132.9 secs Computing kpt #: 277 total cpu time spent up to now is 133.4 secs Computing kpt #: 278 total cpu time spent up to now is 133.9 secs Computing kpt #: 279 total cpu time spent up to now is 134.4 secs Computing kpt #: 280 total cpu time spent up to now is 134.9 secs Computing kpt #: 281 total cpu time spent up to now is 135.4 secs Computing kpt #: 282 total cpu time spent up to now is 135.9 secs Computing kpt #: 283 total cpu time spent up to now is 136.4 secs Computing kpt #: 284 total cpu time spent up to now is 136.9 secs Computing kpt #: 285 total cpu time spent up to now is 137.4 secs Computing kpt #: 286 total cpu time spent up to now is 137.9 secs Computing kpt #: 287 total cpu time spent up to now is 138.4 secs Computing kpt #: 288 total cpu time spent up to now is 138.9 secs Computing kpt #: 289 total cpu time spent up to now is 139.4 secs Computing kpt #: 290 total cpu time spent up to now is 139.9 secs Computing kpt #: 291 total cpu time spent up to now is 140.4 secs Computing kpt #: 292 total cpu time spent up to now is 140.9 secs Computing kpt #: 293 total cpu time spent up to now is 141.4 secs Computing kpt #: 294 total cpu time spent up to now is 141.9 secs Computing kpt #: 295 total cpu time spent up to now is 142.4 secs Computing kpt #: 296 total cpu time spent up to now is 142.8 secs Computing kpt #: 297 total cpu time spent up to now is 143.5 secs Computing kpt #: 298 total cpu time spent up to now is 143.9 secs Computing kpt #: 299 total cpu time spent up to now is 144.4 secs Computing kpt #: 300 total cpu time spent up to now is 144.8 secs Computing kpt #: 301 total cpu time spent up to now is 145.3 secs Computing kpt #: 302 total cpu time spent up to now is 145.8 secs Computing kpt #: 303 total cpu time spent up to now is 146.3 secs Computing kpt #: 304 total cpu time spent up to now is 146.8 secs Computing kpt #: 305 total cpu time spent up to now is 147.2 secs Computing kpt #: 306 total cpu time spent up to now is 147.7 secs Computing kpt #: 307 total cpu time spent up to now is 148.2 secs Computing kpt #: 308 total cpu time spent up to now is 148.6 secs Computing kpt #: 309 total cpu time spent up to now is 149.1 secs Computing kpt #: 310 total cpu time spent up to now is 149.6 secs Computing kpt #: 311 total cpu time spent up to now is 150.0 secs Computing kpt #: 312 total cpu time spent up to now is 150.5 secs Computing kpt #: 313 total cpu time spent up to now is 151.1 secs Computing kpt #: 314 total cpu time spent up to now is 151.7 secs Computing kpt #: 315 total cpu time spent up to now is 152.4 secs Computing kpt #: 316 total cpu time spent up to now is 153.1 secs Computing kpt #: 317 total cpu time spent up to now is 154.0 secs Computing kpt #: 318 total cpu time spent up to now is 154.8 secs Computing kpt #: 319 total cpu time spent up to now is 155.2 secs Computing kpt #: 320 total cpu time spent up to now is 155.7 secs Computing kpt #: 321 total cpu time spent up to now is 156.2 secs Computing kpt #: 322 total cpu time spent up to now is 156.7 secs Computing kpt #: 323 total cpu time spent up to now is 157.2 secs Computing kpt #: 324 total cpu time spent up to now is 157.7 secs Computing kpt #: 325 total cpu time spent up to now is 158.2 secs Computing kpt #: 326 total cpu time spent up to now is 158.7 secs Computing kpt #: 327 total cpu time spent up to now is 159.2 secs Computing kpt #: 328 total cpu time spent up to now is 159.7 secs Computing kpt #: 329 total cpu time spent up to now is 160.2 secs Computing kpt #: 330 total cpu time spent up to now is 160.7 secs Computing kpt #: 331 total cpu time spent up to now is 161.2 secs Computing kpt #: 332 total cpu time spent up to now is 161.7 secs Computing kpt #: 333 total cpu time spent up to now is 162.2 secs Computing kpt #: 334 total cpu time spent up to now is 162.6 secs Computing kpt #: 335 total cpu time spent up to now is 163.1 secs Computing kpt #: 336 total cpu time spent up to now is 163.6 secs Computing kpt #: 337 total cpu time spent up to now is 164.1 secs Computing kpt #: 338 total cpu time spent up to now is 164.6 secs Computing kpt #: 339 total cpu time spent up to now is 165.1 secs Computing kpt #: 340 total cpu time spent up to now is 165.6 secs Computing kpt #: 341 total cpu time spent up to now is 166.1 secs ethr = 2.63E-08, avg # of iterations = 23.5 total cpu time spent up to now is 166.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3487 PWs) bands (ev): -0.9581 -0.9581 -0.1446 -0.1446 5.3766 5.3766 6.4210 6.4210 6.4328 6.4328 6.8905 6.8905 6.9018 6.9018 8.0406 8.0406 9.1836 9.1836 9.2709 9.2709 9.8208 9.8208 9.9420 9.9420 10.0493 10.0493 10.1063 10.1063 10.2004 10.2004 10.4845 10.4845 10.6872 10.6872 11.1640 11.1640 11.1842 11.1842 13.2155 13.2155 13.2815 13.2815 13.9753 13.9753 13.9979 13.9979 k = 0.0102 0.0059-0.0000 ( 3501 PWs) bands (ev): -0.9566 -0.9566 -0.1434 -0.1434 5.3770 5.3770 6.4215 6.4215 6.4334 6.4334 6.8895 6.8895 6.9016 6.9016 8.0419 8.0419 9.1804 9.1804 9.2677 9.2677 9.8198 9.8198 9.9425 9.9425 10.0490 10.0490 10.1100 10.1100 10.2022 10.2022 10.4843 10.4843 10.6895 10.6895 11.1633 11.1633 11.1834 11.1834 13.2135 13.2135 13.2796 13.2796 13.9767 13.9767 13.9995 13.9995 k = 0.0204 0.0118-0.0000 ( 3509 PWs) bands (ev): -0.9521 -0.9521 -0.1398 -0.1398 5.3783 5.3783 6.4217 6.4217 6.4364 6.4364 6.8831 6.8831 6.9048 6.9048 8.0457 8.0457 9.1698 9.1698 9.2601 9.2601 9.8170 9.8170 9.9436 9.9436 10.0482 10.0482 10.1195 10.1195 10.2087 10.2087 10.4838 10.4838 10.6964 10.6964 11.1610 11.1610 11.1814 11.1814 13.2076 13.2076 13.2738 13.2738 13.9801 13.9801 14.0052 14.0052 k = 0.0306 0.0177-0.0000 ( 3509 PWs) bands (ev): -0.9447 -0.9447 -0.1339 -0.1339 5.3804 5.3804 6.4202 6.4202 6.4435 6.4435 6.8696 6.8696 6.9128 6.9128 8.0522 8.0522 9.1485 9.1485 9.2526 9.2526 9.8132 9.8132 9.9446 9.9446 10.0468 10.0468 10.1305 10.1305 10.2230 10.2230 10.4832 10.4832 10.7076 10.7076 11.1565 11.1565 11.1790 11.1790 13.1976 13.1976 13.2646 13.2646 13.9833 13.9833 14.0168 14.0168 k = 0.0408 0.0236-0.0000 ( 3501 PWs) bands (ev): -0.9343 -0.9343 -0.1255 -0.1255 5.3834 5.3834 6.4168 6.4168 6.4546 6.4546 6.8502 6.8502 6.9250 6.9250 8.0612 8.0612 9.1153 9.1153 9.2483 9.2483 9.8089 9.8089 9.9447 9.9447 10.0451 10.0451 10.1382 10.1382 10.2480 10.2480 10.4824 10.4824 10.7230 10.7230 11.1493 11.1493 11.1768 11.1768 13.1831 13.1831 13.2525 13.2525 13.9858 13.9858 14.0345 14.0345 k = 0.0510 0.0295-0.0000 ( 3501 PWs) bands (ev): -0.9210 -0.9210 -0.1149 -0.1149 5.3873 5.3873 6.4121 6.4121 6.4694 6.4694 6.8255 6.8255 6.9408 6.9408 8.0727 8.0727 9.0717 9.0717 9.2475 9.2475 9.8045 9.8045 9.9437 9.9437 10.0430 10.0430 10.1411 10.1411 10.2831 10.2831 10.4814 10.4814 10.7421 10.7421 11.1393 11.1393 11.1750 11.1750 13.1639 13.1639 13.2383 13.2383 13.9879 13.9879 14.0575 14.0575 k = 0.0612 0.0353-0.0000 ( 3505 PWs) bands (ev): -0.9048 -0.9048 -0.1020 -0.1020 5.3920 5.3920 6.4063 6.4063 6.4876 6.4876 6.7961 6.7961 6.9603 6.9603 8.0867 8.0867 9.0204 9.0204 9.2493 9.2493 9.8001 9.8001 9.9413 9.9413 10.0408 10.0408 10.1404 10.1404 10.3252 10.3252 10.4804 10.4804 10.7645 10.7645 11.1270 11.1270 11.1736 11.1736 13.1397 13.1397 13.2227 13.2227 13.9900 13.9900 14.0848 14.0848 k = 0.0714 0.0412-0.0000 ( 3504 PWs) bands (ev): -0.8858 -0.8858 -0.0868 -0.0868 5.3976 5.3976 6.3995 6.3995 6.5093 6.5093 6.7623 6.7623 6.9833 6.9833 8.1033 8.1033 8.9634 8.9634 9.2530 9.2530 9.7958 9.7958 9.9374 9.9374 10.0387 10.0387 10.1373 10.1373 10.3715 10.3715 10.4795 10.4795 10.7897 10.7897 11.1128 11.1128 11.1724 11.1724 13.1104 13.1104 13.2062 13.2062 13.9923 13.9923 14.1153 14.1153 k = 0.0816 0.0471-0.0000 ( 3508 PWs) bands (ev): -0.8639 -0.8639 -0.0695 -0.0695 5.4041 5.4041 6.3920 6.3920 6.5342 6.5342 6.7247 6.7247 7.0097 7.0097 8.1223 8.1223 8.9023 8.9023 9.2582 9.2582 9.7916 9.7916 9.9322 9.9322 10.0368 10.0368 10.1328 10.1328 10.4193 10.4193 10.4794 10.4794 10.8169 10.8169 11.0974 11.0974 11.1712 11.1712 13.0761 13.0761 13.1891 13.1891 13.9950 13.9950 14.1484 14.1484 k = 0.0918 0.0530-0.0000 ( 3508 PWs) bands (ev): -0.8393 -0.8393 -0.0501 -0.0501 5.4114 5.4114 6.3838 6.3838 6.5623 6.5623 6.6837 6.6837 7.0397 7.0397 8.1438 8.1438 8.8382 8.8382 9.2645 9.2645 9.7874 9.7874 9.9254 9.9254 10.0351 10.0351 10.1272 10.1272 10.4605 10.4605 10.4870 10.4870 10.8454 10.8454 11.0814 11.0814 11.1700 11.1700 13.0372 13.0372 13.1715 13.1715 13.9980 13.9980 14.1832 14.1832 k = 0.1020 0.0589-0.0000 ( 3514 PWs) bands (ev): -0.8121 -0.8121 -0.0286 -0.0286 5.4195 5.4195 6.3751 6.3751 6.5934 6.5934 6.6402 6.6402 7.0730 7.0730 8.1678 8.1678 8.7719 8.7719 9.2718 9.2718 9.7834 9.7834 9.9172 9.9172 10.0337 10.0337 10.1210 10.1210 10.4701 10.4701 10.5263 10.5263 10.8740 10.8740 11.0656 11.0656 11.1687 11.1687 12.9940 12.9940 13.1534 13.1534 14.0014 14.0014 14.2189 14.2189 k = 0.1122 0.0648-0.0000 ( 3518 PWs) bands (ev): -0.7822 -0.7822 -0.0052 -0.0052 5.4286 5.4286 6.3660 6.3660 6.5921 6.5921 6.6297 6.6297 7.1098 7.1098 8.1941 8.1941 8.7041 8.7041 9.2801 9.2801 9.7794 9.7794 9.9076 9.9076 10.0323 10.0323 10.1145 10.1145 10.4702 10.4702 10.5742 10.5742 10.9007 10.9007 11.0519 11.0519 11.1674 11.1674 12.9471 12.9471 13.1348 13.1348 14.0053 14.0053 14.2547 14.2547 k = 0.1224 0.0707-0.0000 ( 3522 PWs) bands (ev): -0.7497 -0.7497 0.0200 0.0200 5.4385 5.4385 6.3567 6.3567 6.5443 6.5443 6.6669 6.6669 7.1499 7.1499 8.2229 8.2229 8.6352 8.6352 9.2892 9.2892 9.7756 9.7756 9.8968 9.8968 10.0308 10.0308 10.1080 10.1080 10.4694 10.4694 10.6218 10.6218 10.9221 10.9221 11.0434 11.0434 11.1659 11.1659 12.8967 12.8967 13.1157 13.1157 14.0095 14.0095 14.2899 14.2899 k = 0.1327 0.0766-0.0000 ( 3530 PWs) bands (ev): -0.7148 -0.7148 0.0470 0.0470 5.4493 5.4493 6.3473 6.3473 6.4945 6.4945 6.7077 6.7077 7.1933 7.1933 8.2539 8.2539 8.5657 8.5657 9.2991 9.2991 9.7720 9.7720 9.8849 9.8849 10.0288 10.0288 10.1021 10.1021 10.4685 10.4685 10.6675 10.6675 10.9329 10.9329 11.0451 11.0451 11.1644 11.1644 12.8433 12.8433 13.0961 13.0961 14.0142 14.0142 14.3236 14.3236 k = 0.1429 0.0825-0.0000 ( 3526 PWs) bands (ev): -0.6776 -0.6776 0.0756 0.0756 5.4609 5.4609 6.3379 6.3379 6.4438 6.4438 6.7516 6.7516 7.2399 7.2399 8.2872 8.2872 8.4957 8.4957 9.3099 9.3099 9.7687 9.7687 9.8721 9.8721 10.0260 10.0260 10.0971 10.0971 10.4675 10.4675 10.7109 10.7109 10.9307 10.9307 11.0593 11.0593 11.1627 11.1627 12.7873 12.7873 13.0762 13.0762 14.0193 14.0193 14.3553 14.3554 k = 0.1531 0.0884-0.0000 ( 3528 PWs) bands (ev): -0.6381 -0.6381 0.1057 0.1057 5.4734 5.4734 6.3281 6.3281 6.3931 6.3931 6.7985 6.7985 7.2897 7.2897 8.3226 8.3226 8.4259 8.4259 9.3213 9.3213 9.7656 9.7656 9.8586 9.8586 10.0221 10.0221 10.0934 10.0934 10.4667 10.4667 10.7512 10.7512 10.9194 10.9194 11.0817 11.0817 11.1609 11.1609 12.7289 12.7289 13.0559 13.0559 14.0246 14.0246 14.3843 14.3843 k = 0.1633 0.0943-0.0000 ( 3530 PWs) bands (ev): -0.5964 -0.5964 0.1371 0.1371 5.4868 5.4868 6.3144 6.3144 6.3464 6.3464 6.8484 6.8484 7.3427 7.3427 8.3502 8.3502 8.3659 8.3659 9.3333 9.3333 9.7627 9.7627 9.8447 9.8447 10.0168 10.0168 10.0911 10.0911 10.4661 10.4661 10.7881 10.7881 10.9037 10.9037 11.1074 11.1074 11.1589 11.1589 12.6684 12.6684 13.0354 13.0354 14.0303 14.0303 14.4098 14.4098 k = 0.1735 0.1002-0.0000 ( 3530 PWs) bands (ev): -0.5528 -0.5528 0.1698 0.1698 5.5010 5.5010 6.2789 6.2789 6.3223 6.3223 6.9012 6.9012 7.3987 7.3987 8.2849 8.2849 8.4013 8.4013 9.3460 9.3460 9.7601 9.7601 9.8306 9.8306 10.0105 10.0105 10.0904 10.0904 10.4655 10.4655 10.8208 10.8208 10.8863 10.8863 11.1338 11.1338 11.1568 11.1568 12.6062 12.6062 13.0151 13.0151 14.0363 14.0363 14.4311 14.4311 k = 0.1837 0.1060-0.0000 ( 3526 PWs) bands (ev): -0.5072 -0.5072 0.2036 0.2036 5.5161 5.5161 6.2295 6.2295 6.3134 6.3134 6.9567 6.9567 7.4577 7.4577 8.2157 8.2157 8.4431 8.4431 9.3592 9.3592 9.7574 9.7574 9.8167 9.8167 10.0031 10.0031 10.0910 10.0910 10.4652 10.4652 10.8475 10.8475 10.8700 10.8700 11.1544 11.1544 11.1596 11.1596 12.5426 12.5426 12.9950 12.9950 14.0424 14.0424 14.4462 14.4462 k = 0.1939 0.1119-0.0000 ( 3530 PWs) bands (ev): -0.4599 -0.4599 0.2383 0.2383 5.5320 5.5320 6.1786 6.1786 6.3078 6.3078 7.0149 7.0149 7.5195 7.5195 8.1468 8.1468 8.4871 8.4871 9.3728 9.3728 9.7544 9.7544 9.8034 9.8034 9.9952 9.9952 10.0926 10.0926 10.4650 10.4650 10.8456 10.8456 10.8775 10.8775 11.1519 11.1519 11.1838 11.1838 12.4777 12.4777 12.9755 12.9755 14.0487 14.0487 14.4472 14.4472 k = 0.2041 0.1178-0.0000 ( 3532 PWs) bands (ev): -0.4110 -0.4110 0.2737 0.2737 5.5488 5.5488 6.1280 6.1280 6.3041 6.3041 7.0758 7.0758 7.5841 7.5841 8.0785 8.0785 8.5329 8.5329 9.3868 9.3868 9.7504 9.7504 9.7919 9.7919 9.9870 9.9870 10.0950 10.0950 10.4650 10.4650 10.8280 10.8280 10.8959 10.8959 11.1492 11.1492 11.2062 11.2062 12.4118 12.4118 12.9570 12.9570 14.0552 14.0552 14.4293 14.4293 k = 0.2143 0.1237-0.0000 ( 3538 PWs) bands (ev): -0.3606 -0.3606 0.3097 0.3097 5.5664 5.5664 6.0782 6.0782 6.3023 6.3023 7.1391 7.1391 7.6515 7.6515 8.0109 8.0109 8.5805 8.5805 9.4010 9.4010 9.7442 9.7442 9.7833 9.7833 9.9790 9.9790 10.0980 10.0980 10.4651 10.4651 10.8097 10.8097 10.9104 10.9104 11.1462 11.1462 11.2264 11.2264 12.3452 12.3452 12.9398 12.9398 14.0617 14.0617 14.4009 14.4009 k = 0.2245 0.1296-0.0000 ( 3538 PWs) bands (ev): -0.3090 -0.3090 0.3462 0.3462 5.5849 5.5849 6.0295 6.0295 6.3024 6.3024 7.2049 7.2049 7.7213 7.7213 7.9442 7.9442 8.6297 8.6297 9.4153 9.4153 9.7353 9.7353 9.7784 9.7784 9.9713 9.9713 10.1014 10.1014 10.4654 10.4654 10.7917 10.7917 10.9198 10.9198 11.1431 11.1431 11.2442 11.2442 12.2779 12.2779 12.9242 12.9242 14.0682 14.0682 14.3643 14.3643 k = 0.2347 0.1355-0.0000 ( 3540 PWs) bands (ev): -0.2562 -0.2562 0.3829 0.3829 5.6041 5.6041 5.9823 5.9823 6.3046 6.3046 7.2730 7.2730 7.7934 7.7934 7.8785 7.8785 8.6804 8.6804 9.4296 9.4296 9.7244 9.7244 9.7768 9.7768 9.9644 9.9644 10.1051 10.1051 10.4658 10.4658 10.7740 10.7740 10.9242 10.9242 11.1396 11.1396 11.2594 11.2594 12.2103 12.2103 12.9107 12.9107 14.0745 14.0745 14.3187 14.3187 k = 0.2449 0.1414-0.0000 ( 3536 PWs) bands (ev): -0.2026 -0.2026 0.4197 0.4197 5.6241 5.6241 5.9366 5.9366 6.3091 6.3091 7.3432 7.3432 7.8127 7.8127 7.8689 7.8689 8.7324 8.7324 9.4437 9.4437 9.7126 9.7126 9.7773 9.7773 9.9585 9.9585 10.1089 10.1089 10.4663 10.4663 10.7569 10.7569 10.9236 10.9236 11.1359 11.1359 11.2720 11.2720 12.1423 12.1423 12.8995 12.8995 14.0806 14.0806 14.2620 14.2620 k = 0.2551 0.1473-0.0000 ( 3532 PWs) bands (ev): -0.1482 -0.1482 0.4564 0.4564 5.6449 5.6449 5.8927 5.8927 6.3159 6.3159 7.4155 7.4155 7.7491 7.7491 7.9452 7.9452 8.7853 8.7853 9.4574 9.4574 9.7009 9.7009 9.7794 9.7794 9.9539 9.9539 10.1127 10.1127 10.4670 10.4670 10.7404 10.7404 10.9179 10.9179 11.1319 11.1319 11.2819 11.2819 12.0743 12.0743 12.8909 12.8909 14.0854 14.0854 14.1913 14.1913 k = 0.2653 0.1532-0.0000 ( 3538 PWs) bands (ev): -0.0933 -0.0933 0.4927 0.4927 5.6663 5.6663 5.8509 5.8509 6.3252 6.3252 7.4896 7.4896 7.6863 7.6863 8.0238 8.0238 8.8390 8.8390 9.4704 9.4704 9.6898 9.6898 9.7827 9.7827 9.9509 9.9509 10.1164 10.1164 10.4677 10.4677 10.7243 10.7243 10.9075 10.9075 11.1277 11.1277 11.2891 11.2891 12.0063 12.0063 12.8851 12.8851 14.0746 14.0746 14.1154 14.1154 k = 0.2755 0.1591-0.0000 ( 3538 PWs) bands (ev): -0.0382 -0.0382 0.5287 0.5287 5.6880 5.6880 5.8114 5.8114 6.3372 6.3372 7.5654 7.5654 7.6246 7.6246 8.1042 8.1042 8.8930 8.8930 9.4826 9.4826 9.6799 9.6799 9.7870 9.7870 9.9496 9.9496 10.1201 10.1201 10.4684 10.4684 10.7089 10.7089 10.8927 10.8927 11.1232 11.1232 11.2938 11.2938 11.9385 11.9385 12.8822 12.8822 13.9727 13.9727 14.1048 14.1048 k = 0.2857 0.1650-0.0000 ( 3540 PWs) bands (ev): 0.0171 0.0171 0.5639 0.5639 5.7090 5.7090 5.7755 5.7755 6.3519 6.3519 7.5639 7.5639 7.6428 7.6428 8.1860 8.1860 8.9467 8.9467 9.4937 9.4937 9.6715 9.6715 9.7922 9.7922 9.9505 9.9505 10.1235 10.1235 10.4691 10.4691 10.6941 10.6941 10.8738 10.8738 11.1187 11.1187 11.2958 11.2958 11.8710 11.8710 12.8823 12.8823 13.8320 13.8320 14.1067 14.1067 k = 0.2959 0.1708-0.0000 ( 3542 PWs) bands (ev): 0.0722 0.0722 0.5984 0.5984 5.7187 5.7187 5.7537 5.7537 6.3693 6.3693 7.5045 7.5045 7.7215 7.7215 8.2691 8.2691 8.9996 8.9996 9.5036 9.5036 9.6655 9.6655 9.7983 9.7983 9.9536 9.9536 10.1267 10.1267 10.4698 10.4698 10.6798 10.6798 10.8515 10.8515 11.1141 11.1141 11.2953 11.2953 11.8038 11.8038 12.8854 12.8854 13.6744 13.6744 14.0663 14.0663 k = 0.3061 0.1767-0.0000 ( 3542 PWs) bands (ev): 0.1270 0.1270 0.6318 0.6318 5.6959 5.6959 5.7673 5.7673 6.3894 6.3894 7.4464 7.4464 7.8013 7.8013 8.3532 8.3532 9.0507 9.0507 9.5121 9.5121 9.6623 9.6623 9.8053 9.8053 9.9591 9.9591 10.1295 10.1295 10.4704 10.4704 10.6662 10.6662 10.8261 10.8261 11.1095 11.1095 11.2925 11.2925 11.7372 11.7372 12.8914 12.8914 13.5091 13.5091 13.9621 13.9621 k = 0.3163 0.1826-0.0000 ( 3540 PWs) bands (ev): 0.1811 0.1811 0.6641 0.6641 5.6662 5.6662 5.7908 5.7908 6.4123 6.4123 7.3894 7.3894 7.8820 7.8820 8.4379 8.4379 9.0990 9.0990 9.5190 9.5190 9.6629 9.6629 9.8131 9.8131 9.9672 9.9672 10.1320 10.1320 10.4710 10.4710 10.6530 10.6530 10.7986 10.7986 11.1049 11.1049 11.2874 11.2874 11.6711 11.6711 12.9002 12.9002 13.3421 13.3421 13.8531 13.8531 k = 0.3265 0.1885-0.0000 ( 3528 PWs) bands (ev): 0.2344 0.2344 0.6951 0.6951 5.6374 5.6374 5.8161 5.8161 6.4378 6.4378 7.3338 7.3338 7.9633 7.9633 8.5228 8.5228 9.1431 9.1431 9.5245 9.5245 9.6684 9.6684 9.8217 9.8217 9.9779 9.9779 10.1340 10.1340 10.4714 10.4714 10.6403 10.6403 10.7694 10.7694 11.1005 11.1005 11.2802 11.2802 11.6058 11.6058 12.9114 12.9114 13.1768 13.1768 13.7411 13.7411 k = 0.3367 0.1944-0.0000 ( 3526 PWs) bands (ev): 0.2866 0.2866 0.7247 0.7247 5.6105 5.6105 5.8425 5.8425 6.4659 6.4659 7.2795 7.2795 8.0448 8.0448 8.6076 8.6076 9.1817 9.1817 9.5285 9.5285 9.6801 9.6801 9.8309 9.8309 9.9911 9.9911 10.1356 10.1356 10.4716 10.4716 10.6278 10.6278 10.7394 10.7394 11.0963 11.0963 11.2710 11.2710 11.5412 11.5412 12.9232 12.9232 13.0171 13.0171 13.6260 13.6260 k = 0.3469 0.2003-0.0000 ( 3534 PWs) bands (ev): 0.3375 0.3375 0.7527 0.7527 5.5857 5.5857 5.8695 5.8695 6.4962 6.4962 7.2266 7.2266 8.1264 8.1264 8.6918 8.6918 9.2133 9.2133 9.5310 9.5310 9.6988 9.6988 9.8409 9.8409 10.0066 10.0066 10.1368 10.1368 10.4716 10.4716 10.6152 10.6152 10.7094 10.7094 11.0925 11.0925 11.2600 11.2600 11.4774 11.4774 12.8517 12.8517 12.9482 12.9482 13.5085 13.5085 k = 0.3571 0.2062-0.0000 ( 3530 PWs) bands (ev): 0.3867 0.3867 0.7791 0.7791 5.5630 5.5630 5.8971 5.8971 6.5287 6.5287 7.1751 7.1751 8.2077 8.2077 8.7748 8.7748 9.2370 9.2370 9.5322 9.5322 9.7249 9.7249 9.8519 9.8519 10.0241 10.0241 10.1378 10.1378 10.4712 10.4712 10.6021 10.6021 10.6808 10.6808 11.0894 11.0894 11.2472 11.2472 11.4147 11.4147 12.7031 12.7031 12.9650 12.9650 13.3895 13.3895 k = 0.3673 0.2121-0.0000 ( 3530 PWs) bands (ev): 0.4342 0.4342 0.8036 0.8036 5.5423 5.5423 5.9251 5.9251 6.5629 6.5629 7.1250 7.1250 8.2881 8.2881 8.8562 8.8562 9.2529 9.2529 9.5321 9.5321 9.7575 9.7575 9.8647 9.8647 10.0428 10.0428 10.1391 10.1391 10.4703 10.4703 10.5875 10.5875 10.6551 10.6551 11.0869 11.0869 11.2325 11.2325 11.3531 11.3531 12.5599 12.5599 12.9860 12.9860 13.2699 13.2699 k = 0.3776 0.2180-0.0000 ( 3528 PWs) bands (ev): 0.4796 0.4796 0.8263 0.8263 5.5238 5.5238 5.9535 5.9535 6.5984 6.5984 7.0766 7.0766 8.3674 8.3674 8.9352 8.9352 9.2617 9.2617 9.5312 9.5312 9.7933 9.7933 9.8814 9.8814 10.0613 10.0613 10.1416 10.1416 10.4689 10.4689 10.5705 10.5705 10.6337 10.6337 11.0853 11.0853 11.2157 11.2157 11.2928 11.2928 12.4250 12.4250 13.0090 13.0090 13.1513 13.1513 k = 0.3878 0.2239-0.0000 ( 3522 PWs) bands (ev): 0.5226 0.5226 0.8470 0.8470 5.5072 5.5072 5.9821 5.9821 6.6349 6.6349 7.0297 7.0297 8.4449 8.4449 9.0112 9.0112 9.2644 9.2644 9.5295 9.5295 9.8261 9.8261 9.9068 9.9068 10.0772 10.0772 10.1477 10.1477 10.4665 10.4665 10.5511 10.5511 10.6176 10.6176 11.0848 11.0848 11.1958 11.1958 11.2345 11.2345 12.3001 12.3001 13.0189 13.0189 13.0495 13.0495 k = 0.3980 0.2298-0.0000 ( 3522 PWs) bands (ev): 0.5632 0.5632 0.8657 0.8657 5.4926 5.4926 6.0107 6.0107 6.6718 6.6718 6.9847 6.9847 8.5202 8.5202 9.0834 9.0834 9.2624 9.2624 9.5273 9.5273 9.8496 9.8496 9.9457 9.9457 10.0870 10.0870 10.1603 10.1603 10.4626 10.4626 10.5313 10.5313 10.6058 10.6058 11.0855 11.0855 11.1661 11.1661 11.1844 11.1844 12.1867 12.1867 12.9143 12.9143 13.0664 13.0664 k = 0.4082 0.2357-0.0000 ( 3530 PWs) bands (ev): 0.6010 0.6010 0.8823 0.8823 5.4798 5.4798 6.0392 6.0392 6.7082 6.7082 6.9417 6.9417 8.5926 8.5926 9.1509 9.1509 9.2571 9.2571 9.5248 9.5248 9.8649 9.8649 9.9955 9.9955 10.0899 10.0899 10.1800 10.1800 10.4563 10.4563 10.5136 10.5136 10.5970 10.5970 11.0873 11.0873 11.1154 11.1154 11.1532 11.1532 12.0867 12.0867 12.8024 12.8024 13.0958 13.0958 k = 0.4184 0.2415-0.0000 ( 3528 PWs) bands (ev): 0.6357 0.6357 0.8969 0.8969 5.4687 5.4687 6.0672 6.0672 6.7435 6.7435 6.9012 6.9012 8.6613 8.6613 9.2109 9.2109 9.2516 9.2516 9.5222 9.5222 9.8758 9.8758 10.0511 10.0511 10.0882 10.0882 10.2044 10.2044 10.4470 10.4470 10.5006 10.5006 10.5904 10.5904 11.0611 11.0611 11.0902 11.0902 11.1226 11.1226 12.0020 12.0020 12.6939 12.6939 13.1275 13.1275 k = 0.4286 0.2474-0.0000 ( 3540 PWs) bands (ev): 0.6673 0.6673 0.9094 0.9094 5.4592 5.4592 6.0946 6.0946 6.7759 6.7759 6.8644 6.8644 8.7256 8.7256 9.2327 9.2327 9.2767 9.2767 9.5196 9.5196 9.8843 9.8843 10.0821 10.0821 10.1110 10.1110 10.2308 10.2308 10.4354 10.4354 10.4925 10.4925 10.5853 10.5853 11.0086 11.0086 11.0801 11.0801 11.1007 11.1007 11.9343 11.9343 12.5902 12.5902 13.1610 13.1610 k = 0.4388 0.2533-0.0000 ( 3540 PWs) bands (ev): 0.6954 0.6954 0.9199 0.9199 5.4513 5.4513 6.1207 6.1207 6.7980 6.7980 6.8383 6.8383 8.7845 8.7845 9.2241 9.2241 9.3249 9.3249 9.5172 9.5172 9.8912 9.8912 10.0761 10.0761 10.1701 10.1701 10.2577 10.2577 10.4242 10.4242 10.4883 10.4883 10.5813 10.5813 10.9581 10.9581 11.0396 11.0396 11.1041 11.1041 11.8844 11.8844 12.4921 12.4921 13.1961 13.1961 k = 0.4490 0.2592-0.0000 ( 3548 PWs) bands (ev): 0.7199 0.7199 0.9284 0.9284 5.4448 5.4448 6.1452 6.1452 6.7845 6.7845 6.8480 6.8480 8.8371 8.8371 9.2137 9.2137 9.3679 9.3679 9.5149 9.5149 9.8969 9.8969 10.0690 10.0690 10.2273 10.2273 10.2845 10.2845 10.4161 10.4161 10.4868 10.4868 10.5783 10.5783 10.9103 10.9103 10.9912 10.9912 11.1104 11.1104 11.8524 11.8524 12.4008 12.4008 13.2324 13.2324 k = 0.4592 0.2651-0.0000 ( 3550 PWs) bands (ev): 0.7404 0.7404 0.9351 0.9351 5.4396 5.4396 6.1672 6.1672 6.7587 6.7587 6.8699 6.8699 8.8822 8.8822 9.2037 9.2037 9.4038 9.4038 9.5129 9.5129 9.9014 9.9014 10.0618 10.0618 10.2731 10.2731 10.3168 10.3168 10.4132 10.4132 10.4878 10.4878 10.5761 10.5761 10.8660 10.8660 10.9387 10.9387 11.1171 11.1171 11.8366 11.8366 12.3175 12.3175 13.2694 13.2694 k = 0.4694 0.2710-0.0000 ( 3538 PWs) bands (ev): 0.7567 0.7567 0.9400 0.9400 5.4357 5.4357 6.1860 6.1860 6.7357 6.7357 6.8893 6.8893 8.9188 8.9188 9.1951 9.1951 9.4319 9.4319 9.5113 9.5113 9.9049 9.9049 10.0554 10.0554 10.2956 10.2956 10.3621 10.3621 10.4162 10.4162 10.4917 10.4917 10.5746 10.5746 10.8261 10.8261 10.8857 10.8857 11.1233 11.1233 11.8342 11.8342 12.2444 12.2444 13.3058 13.3058 k = 0.4796 0.2769-0.0000 ( 3542 PWs) bands (ev): 0.7685 0.7685 0.9434 0.9434 5.4329 5.4329 6.2004 6.2004 6.7180 6.7180 6.9039 6.9039 8.9458 8.9458 9.1885 9.1885 9.4522 9.4522 9.5100 9.5100 9.9074 9.9074 10.0502 10.0502 10.3043 10.3043 10.4048 10.4048 10.4252 10.4252 10.4990 10.4990 10.5736 10.5736 10.7915 10.7915 10.8380 10.8380 11.1285 11.1285 11.8410 11.8410 12.1847 12.1847 13.3388 13.3388 k = 0.4898 0.2828-0.0000 ( 3542 PWs) bands (ev): 0.7758 0.7758 0.9453 0.9453 5.4313 5.4313 6.2096 6.2096 6.7068 6.7068 6.9129 6.9129 8.9624 8.9624 9.1843 9.1843 9.4645 9.4645 9.5092 9.5092 9.9089 9.9089 10.0469 10.0469 10.3073 10.3073 10.4208 10.4208 10.4473 10.4473 10.5090 10.5090 10.5733 10.5733 10.7643 10.7643 10.8047 10.8047 11.1318 11.1318 11.8505 11.8505 12.1437 12.1437 13.3626 13.3626 k = 0.5000 0.2887-0.0000 ( 3550 PWs) bands (ev): 0.7782 0.7782 0.9459 0.9459 5.4307 5.4307 6.2127 6.2127 6.7029 6.7029 6.9160 6.9160 8.9680 8.9680 9.1829 9.1829 9.4686 9.4686 9.5089 9.5089 9.9094 9.9094 10.0457 10.0457 10.3080 10.3080 10.4235 10.4235 10.4580 10.4580 10.5149 10.5149 10.5733 10.5733 10.7525 10.7525 10.7931 10.7931 11.1329 11.1329 11.8551 11.8551 12.1288 12.1288 13.3708 13.3708 k = 0.5000 0.2887-0.0000 ( 3550 PWs) bands (ev): 0.7782 0.7782 0.9459 0.9459 5.4307 5.4307 6.2127 6.2127 6.7029 6.7029 6.9160 6.9160 8.9680 8.9680 9.1829 9.1829 9.4686 9.4686 9.5089 9.5089 9.9094 9.9094 10.0457 10.0457 10.3080 10.3080 10.4235 10.4235 10.4580 10.4580 10.5149 10.5149 10.5733 10.5733 10.7525 10.7525 10.7931 10.7931 11.1329 11.1329 11.8551 11.8551 12.1288 12.1288 13.3708 13.3708 k = 0.4940 0.2990-0.0000 ( 3540 PWs) bands (ev): 0.7789 0.7789 0.9465 0.9465 5.4324 5.4324 6.2139 6.2139 6.7027 6.7027 6.9167 6.9167 8.9676 8.9676 9.1778 9.1778 9.4685 9.4685 9.5119 9.5119 9.9072 9.9072 10.0454 10.0454 10.3024 10.3024 10.4211 10.4211 10.4585 10.4585 10.5129 10.5129 10.5738 10.5738 10.7563 10.7563 10.7956 10.7956 11.1351 11.1351 11.8514 11.8514 12.1248 12.1248 13.3590 13.3590 k = 0.4881 0.3093-0.0000 ( 3544 PWs) bands (ev): 0.7809 0.7809 0.9482 0.9482 5.4376 5.4376 6.2174 6.2174 6.7019 6.7019 6.9187 6.9187 8.9663 8.9663 9.1626 9.1626 9.4689 9.4689 9.5197 9.5197 9.9003 9.9003 10.0443 10.0443 10.2846 10.2846 10.4156 10.4156 10.4602 10.4602 10.5082 10.5082 10.5754 10.5754 10.7640 10.7640 10.8046 10.8046 11.1415 11.1415 11.8407 11.8407 12.1130 12.1130 13.3231 13.3231 k = 0.4821 0.3196-0.0000 ( 3540 PWs) bands (ev): 0.7843 0.7843 0.9510 0.9510 5.4462 5.4462 6.2232 6.2232 6.7007 6.7007 6.9221 6.9221 8.9640 8.9640 9.1381 9.1381 9.4710 9.4710 9.5311 9.5311 9.8875 9.8875 10.0425 10.0425 10.2543 10.2543 10.4108 10.4108 10.4636 10.4636 10.5032 10.5032 10.5787 10.5787 10.7700 10.7700 10.8209 10.8209 11.1520 11.1520 11.8234 11.8234 12.0937 12.0937 13.2654 13.2654 k = 0.4762 0.3299-0.0000 ( 3532 PWs) bands (ev): 0.7890 0.7890 0.9548 0.9548 5.4583 5.4583 6.2313 6.2313 6.6990 6.6990 6.9269 6.9269 8.9605 8.9605 9.1050 9.1050 9.4754 9.4754 9.5448 9.5448 9.8669 9.8669 10.0403 10.0403 10.2152 10.2152 10.4086 10.4086 10.4679 10.4679 10.4985 10.4985 10.5841 10.5841 10.7735 10.7735 10.8413 10.8413 11.1663 11.1663 11.8002 11.8002 12.0675 12.0675 13.1922 13.1922 k = 0.4702 0.3402-0.0000 ( 3536 PWs) bands (ev): 0.7950 0.7950 0.9596 0.9596 5.4738 5.4738 6.2416 6.2416 6.6968 6.6968 6.9333 6.9333 8.9555 8.9555 9.0641 9.0641 9.4821 9.4821 9.5603 9.5603 9.8360 9.8360 10.0378 10.0378 10.1738 10.1738 10.4088 10.4088 10.4719 10.4719 10.4945 10.4945 10.5922 10.5922 10.7760 10.7760 10.8619 10.8619 11.1840 11.1840 11.7720 11.7720 12.0351 12.0351 13.1097 13.1097 k = 0.4643 0.3505-0.0000 ( 3536 PWs) bands (ev): 0.8022 0.8022 0.9654 0.9654 5.4928 5.4928 6.2542 6.2542 6.6943 6.6943 6.9412 6.9412 8.9487 8.9487 9.0164 9.0164 9.4911 9.4911 9.5773 9.5773 9.7923 9.7923 10.0352 10.0352 10.1359 10.1359 10.4107 10.4107 10.4732 10.4732 10.4923 10.4923 10.6035 10.6035 10.7782 10.7782 10.8808 10.8808 11.2049 11.2049 11.7400 11.7400 11.9974 11.9974 13.0221 13.0221 k = 0.4583 0.3608-0.0000 ( 3538 PWs) bands (ev): 0.8105 0.8105 0.9721 0.9721 5.5154 5.5154 6.2689 6.2689 6.6914 6.6914 6.9508 6.9508 8.9380 8.9380 8.9644 8.9644 9.5021 9.5021 9.5951 9.5951 9.7357 9.7357 10.0327 10.0327 10.1051 10.1051 10.4137 10.4137 10.4703 10.4703 10.4927 10.4927 10.6182 10.6182 10.7807 10.7807 10.8970 10.8970 11.2283 11.2283 11.7052 11.7052 11.9553 11.9553 12.9319 12.9319 k = 0.4524 0.3712-0.0000 ( 3544 PWs) bands (ev): 0.8198 0.8198 0.9796 0.9796 5.5415 5.5415 6.2857 6.2857 6.6882 6.6882 6.9622 6.9622 8.8976 8.8976 8.9341 8.9341 9.5149 9.5149 9.6107 9.6107 9.6710 9.6710 10.0304 10.0304 10.0819 10.0819 10.4173 10.4173 10.4641 10.4641 10.4942 10.4942 10.6359 10.6359 10.7836 10.7836 10.9103 10.9103 11.2539 11.2539 11.6689 11.6689 11.9100 11.9100 12.8408 12.8408 k = 0.4464 0.3815-0.0000 ( 3548 PWs) bands (ev): 0.8302 0.8302 0.9878 0.9878 5.5711 5.5711 6.3045 6.3045 6.6848 6.6848 6.9754 6.9754 8.8335 8.8335 8.9198 8.9198 9.5284 9.5284 9.5786 9.5786 9.6470 9.6470 10.0282 10.0282 10.0650 10.0650 10.4216 10.4216 10.4560 10.4560 10.4956 10.4956 10.6560 10.6560 10.7870 10.7870 10.9206 10.9206 11.2810 11.2810 11.6322 11.6322 11.8628 11.8628 12.7499 12.7499 k = 0.4405 0.3918-0.0000 ( 3550 PWs) bands (ev): 0.8413 0.8413 0.9966 0.9966 5.6042 5.6042 6.3252 6.3252 6.6812 6.6812 6.9906 6.9906 8.7635 8.7635 8.9041 8.9041 9.4941 9.4941 9.5478 9.5478 9.6663 9.6663 10.0261 10.0261 10.0532 10.0532 10.4259 10.4259 10.4470 10.4470 10.4966 10.4966 10.6777 10.6777 10.7911 10.7911 10.9281 10.9281 11.3088 11.3088 11.5962 11.5962 11.8149 11.8149 12.6600 12.6600 k = 0.4345 0.4021-0.0000 ( 3548 PWs) bands (ev): 0.8533 0.8533 1.0060 1.0060 5.6409 5.6409 6.3476 6.3476 6.6776 6.6776 7.0079 7.0079 8.6890 8.6890 8.8855 8.8855 9.4069 9.4069 9.5642 9.5642 9.6900 9.6900 10.0237 10.0237 10.0452 10.0452 10.4275 10.4275 10.4402 10.4402 10.4971 10.4971 10.7000 10.7000 10.7958 10.7958 10.9330 10.9330 11.3363 11.3363 11.5620 11.5620 11.7681 11.7681 12.5714 12.5714 k = 0.4286 0.4124-0.0000 ( 3544 PWs) bands (ev): 0.8659 0.8659 1.0157 1.0157 5.6811 5.6811 6.3717 6.3717 6.6740 6.6740 7.0273 7.0273 8.6106 8.6106 8.8640 8.8640 9.3161 9.3161 9.5827 9.5827 9.7155 9.7155 10.0208 10.0208 10.0406 10.0406 10.4191 10.4191 10.4428 10.4428 10.4974 10.4974 10.7222 10.7222 10.8012 10.8012 10.9356 10.9356 11.3617 11.3617 11.5307 11.5307 11.7245 11.7245 12.4848 12.4848 k = 0.4226 0.4227-0.0000 ( 3540 PWs) bands (ev): 0.8789 0.8789 1.0256 1.0256 5.7248 5.7248 6.3972 6.3972 6.6705 6.6705 7.0489 7.0489 8.5287 8.5287 8.8392 8.8392 9.2243 9.2243 9.6026 9.6026 9.7421 9.7421 10.0173 10.0173 10.0385 10.0385 10.4062 10.4062 10.4496 10.4496 10.4977 10.4977 10.7436 10.7436 10.8072 10.8072 10.9360 10.9360 11.3821 11.3821 11.5035 11.5035 11.6872 11.6872 12.4005 12.4005 k = 0.4167 0.4330-0.0000 ( 3544 PWs) bands (ev): 0.8924 0.8924 1.0357 1.0357 5.7719 5.7719 6.4240 6.4240 6.6672 6.6672 7.0727 7.0727 8.4439 8.4439 8.8113 8.8113 9.1328 9.1328 9.6235 9.6235 9.7693 9.7693 10.0137 10.0137 10.0380 10.0380 10.3916 10.3916 10.4575 10.4575 10.4984 10.4984 10.7635 10.7635 10.8137 10.8137 10.9345 10.9345 11.3932 11.3932 11.4815 11.4815 11.6605 11.6605 12.3188 12.3188 k = 0.4107 0.4433-0.0000 ( 3548 PWs) bands (ev): 0.9060 0.9060 1.0458 1.0458 5.8223 5.8223 6.4517 6.4517 6.6641 6.6641 7.0987 7.0987 8.3567 8.3567 8.7801 8.7801 9.0425 9.0425 9.6455 9.6455 9.7970 9.7970 10.0101 10.0101 10.0385 10.0385 10.3760 10.3760 10.4658 10.4658 10.5002 10.5002 10.7812 10.7812 10.8207 10.8207 10.9312 10.9312 11.3919 11.3919 11.4641 11.4641 11.6495 11.6495 12.2399 12.2399 k = 0.4048 0.4536-0.0000 ( 3552 PWs) bands (ev): 0.9198 0.9198 1.0557 1.0557 5.8759 5.8759 6.4801 6.4801 6.6614 6.6614 7.1269 7.1269 8.2676 8.2676 8.7458 8.7458 8.9543 8.9543 9.6685 9.6685 9.8246 9.8246 10.0066 10.0066 10.0395 10.0395 10.3593 10.3593 10.4731 10.4731 10.5045 10.5045 10.7963 10.7963 10.8278 10.8278 10.9265 10.9265 11.3805 11.3805 11.4480 11.4480 11.6558 11.6558 12.1642 12.1642 k = 0.3988 0.4639-0.0000 ( 3552 PWs) bands (ev): 0.9334 0.9334 1.0654 1.0654 5.9324 5.9324 6.5088 6.5088 6.6592 6.6592 7.1571 7.1571 8.1773 8.1773 8.7088 8.7088 8.8690 8.8690 9.6923 9.6923 9.8517 9.8517 10.0033 10.0033 10.0408 10.0408 10.3419 10.3419 10.4780 10.4780 10.5129 10.5129 10.8086 10.8086 10.8348 10.8348 10.9205 10.9205 11.3639 11.3639 11.4325 11.4325 11.6761 11.6761 12.0921 12.0921 k = 0.3929 0.4743-0.0000 ( 3548 PWs) bands (ev): 0.9468 0.9468 1.0747 1.0747 5.9915 5.9915 6.5375 6.5375 6.6576 6.6576 7.1892 7.1892 8.0865 8.0865 8.6692 8.6692 8.7872 8.7872 9.7168 9.7168 9.8780 9.8780 10.0001 10.0001 10.0422 10.0422 10.3238 10.3238 10.4803 10.4803 10.5257 10.5257 10.8179 10.8179 10.8409 10.8409 10.9136 10.9136 11.3453 11.3453 11.4197 11.4197 11.7055 11.7055 12.0237 12.0237 k = 0.3869 0.4846-0.0000 ( 3562 PWs) bands (ev): 0.9598 0.9598 1.0835 1.0835 6.0528 6.0528 6.5657 6.5657 6.6566 6.6566 7.2229 7.2229 7.9959 7.9959 8.6277 8.6277 8.7098 8.7098 9.7420 9.7420 9.9028 9.9028 9.9968 9.9968 10.0436 10.0436 10.3050 10.3050 10.4810 10.4810 10.5418 10.5418 10.8245 10.8245 10.8455 10.8455 10.9060 10.9060 11.3269 11.3269 11.4108 11.4108 11.7406 11.7406 11.9595 11.9595 k = 0.3810 0.4949-0.0000 ( 3562 PWs) bands (ev): 0.9723 0.9723 1.0917 1.0917 6.1158 6.1158 6.5927 6.5927 6.6563 6.6563 7.2577 7.2577 7.9066 7.9066 8.5848 8.5848 8.6374 8.6374 9.7675 9.7675 9.9259 9.9259 9.9936 9.9936 10.0448 10.0448 10.2860 10.2860 10.4809 10.4809 10.5607 10.5607 10.8287 10.8287 10.8476 10.8476 10.8984 10.8984 11.3103 11.3103 11.4059 11.4059 11.7796 11.7796 11.8999 11.8999 k = 0.3750 0.5052-0.0000 ( 3562 PWs) bands (ev): 0.9840 0.9840 1.0991 1.0991 6.1795 6.1795 6.6180 6.6180 6.6568 6.6568 7.2930 7.2930 7.8195 7.8195 8.5413 8.5413 8.5709 8.5709 9.7930 9.7930 9.9470 9.9470 9.9904 9.9904 10.0461 10.0461 10.2666 10.2666 10.4803 10.4803 10.5816 10.5816 10.8309 10.8309 10.8466 10.8466 10.8914 10.8914 11.2967 11.2967 11.4042 11.4042 11.8203 11.8203 11.8464 11.8464 k = 0.3690 0.5155-0.0000 ( 3566 PWs) bands (ev): 0.9948 0.9948 1.1057 1.1057 6.2430 6.2430 6.6409 6.6409 6.6584 6.6584 7.3280 7.3280 7.7360 7.7360 8.4982 8.4982 8.5111 8.5111 9.8181 9.8181 9.9653 9.9653 9.9874 9.9874 10.0475 10.0475 10.2471 10.2471 10.4796 10.4796 10.6041 10.6041 10.8314 10.8314 10.8419 10.8419 10.8857 10.8857 11.2865 11.2865 11.4051 11.4051 11.7949 11.7949 11.8669 11.8669 k = 0.3631 0.5258-0.0000 ( 3562 PWs) bands (ev): 1.0045 1.0045 1.1114 1.1114 6.3045 6.3045 6.6587 6.6587 6.6627 6.6627 7.3616 7.3616 7.6581 7.6581 8.4562 8.4562 8.4593 8.4593 9.8424 9.8424 9.9789 9.9789 9.9865 9.9865 10.0495 10.0495 10.2276 10.2276 10.4789 10.4789 10.6276 10.6276 10.8304 10.8304 10.8340 10.8340 10.8813 10.8813 11.2795 11.2795 11.4076 11.4076 11.7518 11.7518 11.9135 11.9135 k = 0.3571 0.5361-0.0000 ( 3578 PWs) bands (ev): 1.0129 1.0129 1.1161 1.1161 6.3620 6.3620 6.6636 6.6636 6.6772 6.6772 7.3924 7.3924 7.5879 7.5879 8.4139 8.4139 8.4193 8.4193 9.8649 9.8649 9.9795 9.9795 9.9956 9.9956 10.0524 10.0524 10.2086 10.2086 10.4781 10.4781 10.6512 10.6512 10.8230 10.8230 10.8291 10.8291 10.8778 10.8778 11.2752 11.2752 11.4109 11.4109 11.7150 11.7150 11.9627 11.9627 k = 0.3512 0.5464-0.0000 ( 3586 PWs) bands (ev): 1.0198 1.0198 1.1198 1.1198 6.4126 6.4126 6.6682 6.6682 6.6884 6.6884 7.4186 7.4186 7.5284 7.5284 8.3788 8.3788 8.3862 8.3862 9.8845 9.8845 9.9773 9.9773 10.0044 10.0044 10.0571 10.0571 10.1905 10.1905 10.4774 10.4774 10.6739 10.6739 10.8113 10.8113 10.8271 10.8271 10.8751 10.8751 11.2728 11.2728 11.4145 11.4145 11.6854 11.6854 12.0144 12.0144 k = 0.3452 0.5567-0.0000 ( 3582 PWs) bands (ev): 1.0250 1.0250 1.1224 1.1224 6.4528 6.4528 6.6739 6.6739 6.6944 6.6944 7.4382 7.4382 7.4834 7.4834 8.3534 8.3534 8.3604 8.3604 9.8998 9.8998 9.9758 9.9758 10.0099 10.0099 10.0634 10.0634 10.1743 10.1743 10.4769 10.4769 10.6941 10.6941 10.7995 10.7995 10.8252 10.8252 10.8730 10.8730 11.2717 11.2717 11.4177 11.4177 11.6636 11.6636 12.0687 12.0687 k = 0.3393 0.5670-0.0000 ( 3576 PWs) bands (ev): 1.0283 1.0283 1.1240 1.1240 6.4789 6.4789 6.6807 6.6807 6.6949 6.6949 7.4482 7.4482 7.4574 7.4574 8.3379 8.3379 8.3438 8.3438 9.9093 9.9093 9.9752 9.9752 10.0125 10.0125 10.0698 10.0698 10.1621 10.1621 10.4766 10.4766 10.7091 10.7091 10.7900 10.7900 10.8238 10.8238 10.8717 10.8717 11.2713 11.2713 11.4200 11.4200 11.6502 11.6502 12.1257 12.1257 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): 1.0295 1.0295 1.1245 1.1245 6.4879 6.4879 6.6871 6.6871 6.6909 6.6909 7.4465 7.4465 7.4537 7.4537 8.3328 8.3328 8.3380 8.3380 9.9124 9.9124 9.9753 9.9753 10.0131 10.0131 10.0727 10.0727 10.1572 10.1572 10.4764 10.4764 10.7148 10.7148 10.7861 10.7861 10.8233 10.8233 10.8712 10.8712 11.2711 11.2711 11.4208 11.4208 11.6456 11.6456 12.1796 12.1796 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): 1.0295 1.0295 1.1245 1.1245 6.4879 6.4879 6.6871 6.6871 6.6909 6.6909 7.4465 7.4465 7.4537 7.4537 8.3328 8.3328 8.3380 8.3380 9.9124 9.9124 9.9753 9.9753 10.0131 10.0131 10.0727 10.0727 10.1572 10.1572 10.4764 10.4764 10.7148 10.7148 10.7861 10.7861 10.8233 10.8233 10.8712 10.8712 11.2711 11.2711 11.4208 11.4208 11.6456 11.6456 12.1796 12.1796 k = 0.3274 0.5670-0.0000 ( 3580 PWs) bands (ev): 1.0283 1.0283 1.1240 1.1240 6.4790 6.4790 6.6771 6.6771 6.6985 6.6985 7.4395 7.4395 7.4657 7.4657 8.3379 8.3379 8.3438 8.3438 9.9096 9.9096 9.9747 9.9747 10.0128 10.0128 10.0694 10.0694 10.1624 10.1624 10.4766 10.4766 10.7094 10.7094 10.7895 10.7895 10.8239 10.8239 10.8717 10.8717 11.2713 11.2713 11.4198 11.4198 11.6502 11.6502 12.1255 12.1255 k = 0.3214 0.5567-0.0000 ( 3580 PWs) bands (ev): 1.0245 1.0245 1.1224 1.1224 6.4540 6.4540 6.6598 6.6598 6.7091 6.7091 7.4187 7.4187 7.5001 7.5001 8.3528 8.3528 8.3608 8.3608 9.9017 9.9017 9.9720 9.9720 10.0125 10.0125 10.0607 10.0607 10.1758 10.1758 10.4770 10.4770 10.6964 10.6964 10.7968 10.7968 10.8256 10.8256 10.8731 10.8731 11.2723 11.2723 11.4167 11.4167 11.6638 11.6638 12.0685 12.0685 k = 0.3155 0.5464-0.0000 ( 3582 PWs) bands (ev): 1.0180 1.0180 1.1199 1.1199 6.4161 6.4161 6.6370 6.6370 6.7213 6.7213 7.3879 7.3879 7.5503 7.5503 8.3770 8.3770 8.3875 8.3875 9.8891 9.8891 9.9668 9.9668 10.0125 10.0125 10.0496 10.0496 10.1940 10.1940 10.4776 10.4776 10.6793 10.6793 10.8046 10.8046 10.8283 10.8283 10.8756 10.8756 11.2750 11.2750 11.4112 11.4112 11.6860 11.6860 12.0151 12.0151 k = 0.3095 0.5361-0.0000 ( 3578 PWs) bands (ev): 1.0088 1.0088 1.1162 1.1162 6.3691 6.3691 6.6096 6.6096 6.7350 6.7350 7.3488 7.3488 7.6118 7.6118 8.4096 8.4096 8.4220 8.4220 9.8723 9.8723 9.9597 9.9597 10.0129 10.0129 10.0376 10.0376 10.2143 10.2143 10.4786 10.4786 10.6601 10.6601 10.8115 10.8115 10.8315 10.8315 10.8790 10.8790 11.2807 11.2807 11.4031 11.4031 11.7162 11.7162 11.9662 11.9662 k = 0.3036 0.5258-0.0000 ( 3578 PWs) bands (ev): 0.9966 0.9966 1.1114 1.1114 6.3165 6.3165 6.5782 6.5782 6.7503 6.7503 7.3034 7.3034 7.6805 7.6805 8.4499 8.4499 8.4621 8.4621 9.8514 9.8514 9.9513 9.9513 10.0130 10.0130 10.0257 10.0257 10.2349 10.2349 10.4798 10.4798 10.6397 10.6397 10.8169 10.8169 10.8342 10.8342 10.8841 10.8841 11.2910 11.2910 11.3927 11.3927 11.7534 11.7534 11.9230 11.9230 k = 0.2976 0.5155-0.0000 ( 3566 PWs) bands (ev): 0.9815 0.9815 1.1054 1.1054 6.2609 6.2609 6.5434 6.5434 6.7672 6.7672 7.2533 7.2533 7.7528 7.7528 8.4966 8.4966 8.5057 8.5057 9.8272 9.8272 9.9420 9.9420 10.0078 10.0078 10.0190 10.0190 10.2550 10.2550 10.4812 10.4812 10.6185 10.6185 10.8200 10.8200 10.8359 10.8359 10.8916 10.8916 11.3070 11.3070 11.3812 11.3812 11.7968 11.7968 11.8862 11.8862 k = 0.2917 0.5052-0.0000 ( 3558 PWs) bands (ev): 0.9635 0.9635 1.0981 1.0981 6.2044 6.2044 6.5062 6.5062 6.7858 6.7858 7.1999 7.1999 7.8258 7.8258 8.5485 8.5485 8.5514 8.5514 9.8003 9.8003 9.9315 9.9315 9.9945 9.9945 10.0200 10.0200 10.2739 10.2739 10.4825 10.4825 10.5969 10.5969 10.8191 10.8191 10.8375 10.8375 10.9019 10.9019 11.3260 11.3260 11.3738 11.3738 11.8448 11.8448 11.8571 11.8571 k = 0.2857 0.4949-0.0000 ( 3554 PWs) bands (ev): 0.9425 0.9425 1.0893 1.0893 6.1483 6.1483 6.4669 6.4669 6.8060 6.8060 7.1445 7.1445 7.8968 7.8968 8.5954 8.5954 8.6065 8.6065 9.7715 9.7715 9.9196 9.9196 9.9787 9.9787 10.0232 10.0232 10.2909 10.2909 10.4835 10.4835 10.5754 10.5754 10.8130 10.8130 10.8400 10.8400 10.9143 10.9143 11.3311 11.3311 11.3903 11.3903 11.8353 11.8353 11.8981 11.8981 k = 0.2798 0.4846-0.0000 ( 3554 PWs) bands (ev): 0.9187 0.9187 1.0791 1.0791 6.0939 6.0939 6.4263 6.4263 6.8279 6.8279 7.0881 7.0881 7.9636 7.9636 8.6389 8.6389 8.6670 8.6670 9.7414 9.7414 9.9057 9.9057 9.9612 9.9612 10.0282 10.0282 10.3059 10.3059 10.4838 10.4838 10.5544 10.5544 10.8027 10.8027 10.8437 10.8437 10.9271 10.9271 11.3221 11.3221 11.4341 11.4341 11.8229 11.8229 11.9540 11.9540 k = 0.2738 0.4743-0.0000 ( 3546 PWs) bands (ev): 0.8920 0.8920 1.0673 1.0673 6.0419 6.0419 6.3848 6.3848 6.8515 6.8515 7.0313 7.0313 8.0241 8.0241 8.6794 8.6794 8.7302 8.7302 9.7107 9.7107 9.8890 9.8890 9.9427 9.9427 10.0352 10.0352 10.3185 10.3185 10.4824 10.4824 10.5352 10.5352 10.7899 10.7899 10.8480 10.8480 10.9381 10.9381 11.3134 11.3134 11.4936 11.4936 11.8202 11.8202 12.0124 12.0124 k = 0.2679 0.4639-0.0000 ( 3544 PWs) bands (ev): 0.8625 0.8625 1.0539 1.0539 5.9929 5.9929 6.3429 6.3429 6.8769 6.8769 6.9748 6.9748 8.0766 8.0766 8.7160 8.7160 8.7950 8.7950 9.6797 9.6797 9.8683 9.8683 9.9241 9.9241 10.0447 10.0447 10.3284 10.3284 10.4771 10.4771 10.5200 10.5200 10.7761 10.7761 10.8530 10.8530 10.9450 10.9450 11.3101 11.3101 11.5663 11.5663 11.8284 11.8284 12.0727 12.0727 k = 0.2619 0.4536-0.0000 ( 3544 PWs) bands (ev): 0.8303 0.8303 1.0388 1.0388 5.9475 5.9475 6.3007 6.3007 6.9040 6.9040 6.9192 6.9192 8.1195 8.1195 8.7475 8.7475 8.8603 8.8603 9.6489 9.6489 9.8431 9.8431 9.9064 9.9064 10.0570 10.0570 10.3352 10.3352 10.4659 10.4659 10.5116 10.5116 10.7625 10.7625 10.8586 10.8586 10.9464 10.9464 11.3140 11.3140 11.6511 11.6511 11.8488 11.8488 12.1341 12.1341 k = 0.2560 0.4433-0.0000 ( 3544 PWs) bands (ev): 0.7954 0.7954 1.0220 1.0220 5.9059 5.9059 6.2588 6.2588 6.8648 6.8648 6.9329 6.9329 8.1517 8.1517 8.7731 8.7731 8.9250 8.9250 9.6183 9.6183 9.8135 9.8135 9.8900 9.8900 10.0724 10.0724 10.3385 10.3385 10.4505 10.4505 10.5086 10.5086 10.7501 10.7501 10.8648 10.8648 10.9427 10.9427 11.3245 11.3245 11.7472 11.7472 11.8835 11.8835 12.1961 12.1961 k = 0.2500 0.4330-0.0000 ( 3544 PWs) bands (ev): 0.7579 0.7579 1.0036 1.0036 5.8685 5.8685 6.2172 6.2172 6.8121 6.8121 6.9636 6.9636 8.1726 8.1726 8.7917 8.7917 8.9879 8.9879 9.5877 9.5877 9.7807 9.7807 9.8749 9.8749 10.0909 10.0909 10.3380 10.3380 10.4347 10.4347 10.5085 10.5085 10.7393 10.7393 10.8718 10.8718 10.9358 10.9358 11.3391 11.3391 11.8527 11.8527 11.9353 11.9353 12.2581 12.2581 k = 0.2440 0.4227-0.0000 ( 3548 PWs) bands (ev): 0.7178 0.7178 0.9834 0.9834 5.8356 5.8356 6.1762 6.1762 6.7613 6.7613 6.9961 6.9961 8.1818 8.1818 8.8025 8.8025 9.0480 9.0480 9.5570 9.5570 9.7464 9.7464 9.8606 9.8606 10.1120 10.1120 10.3333 10.3333 10.4212 10.4212 10.5100 10.5100 10.7306 10.7306 10.8793 10.8793 10.9281 10.9281 11.3552 11.3552 11.9618 11.9618 12.0106 12.0106 12.3196 12.3196 k = 0.2381 0.4124-0.0000 ( 3556 PWs) bands (ev): 0.6755 0.6755 0.9616 0.9616 5.8071 5.8071 6.1360 6.1360 6.7126 6.7126 7.0304 7.0304 8.1797 8.1797 8.8043 8.8043 9.1043 9.1043 9.5254 9.5254 9.7125 9.7125 9.8471 9.8471 10.1343 10.1343 10.3244 10.3244 10.4122 10.4122 10.5131 10.5131 10.7242 10.7242 10.8874 10.8874 10.9216 10.9216 11.3704 11.3704 12.0633 12.0633 12.1204 12.1204 12.3803 12.3803 k = 0.2321 0.4021-0.0000 ( 3552 PWs) bands (ev): 0.6308 0.6308 0.9380 0.9380 5.7833 5.7833 6.0966 6.0966 6.6664 6.6664 7.0665 7.0665 8.1667 8.1667 8.7965 8.7965 9.1558 9.1558 9.4925 9.4925 9.6809 9.6809 9.8344 9.8344 10.1553 10.1553 10.3120 10.3120 10.4099 10.4099 10.5185 10.5185 10.7201 10.7201 10.8960 10.8960 10.9179 10.9179 11.3835 11.3835 12.1670 12.1670 12.2530 12.2530 12.4399 12.4399 k = 0.2262 0.3918-0.0000 ( 3558 PWs) bands (ev): 0.5841 0.5841 0.9129 0.9129 5.7641 5.7641 6.0581 6.0581 6.6226 6.6226 7.1045 7.1045 8.1439 8.1439 8.7784 8.7784 9.2018 9.2018 9.4577 9.4577 9.6531 9.6531 9.8224 9.8224 10.1711 10.1711 10.2975 10.2975 10.4159 10.4159 10.5281 10.5281 10.7183 10.7183 10.9048 10.9048 10.9175 10.9175 11.3942 11.3942 12.2824 12.2824 12.3962 12.3962 12.4990 12.4990 k = 0.2202 0.3815-0.0000 ( 3560 PWs) bands (ev): 0.5355 0.5355 0.8861 0.8861 5.7496 5.7496 6.0207 6.0207 6.5815 6.5815 7.1443 7.1443 8.1122 8.1122 8.7499 8.7499 9.2419 9.2419 9.4206 9.4206 9.6304 9.6304 9.8112 9.8112 10.1785 10.1785 10.2820 10.2820 10.4290 10.4290 10.5454 10.5454 10.7193 10.7193 10.9133 10.9133 10.9209 10.9209 11.4024 11.4024 12.4090 12.4090 12.5354 12.5354 12.5700 12.5700 k = 0.2143 0.3712-0.0000 ( 3558 PWs) bands (ev): 0.4850 0.4850 0.8578 0.8578 5.7398 5.7398 5.9844 5.9844 6.5432 6.5432 7.1858 7.1858 8.0729 8.0729 8.7112 8.7112 9.2756 9.2756 9.3814 9.3814 9.6134 9.6134 9.8007 9.8007 10.1770 10.1770 10.2665 10.2665 10.4439 10.4439 10.5752 10.5752 10.7239 10.7239 10.9212 10.9212 10.9282 10.9282 11.4083 11.4083 12.5376 12.5376 12.6151 12.6151 12.7147 12.7147 k = 0.2083 0.3608-0.0000 ( 3554 PWs) bands (ev): 0.4330 0.4330 0.8281 0.8281 5.7346 5.7346 5.9493 5.9493 6.5077 6.5077 7.2292 7.2292 8.0270 8.0270 8.6633 8.6633 9.2994 9.2994 9.3435 9.3435 9.6021 9.6021 9.7911 9.7911 10.1687 10.1687 10.2513 10.2513 10.4554 10.4554 10.6174 10.6174 10.7350 10.7350 10.9295 10.9295 10.9377 10.9377 11.4123 11.4123 12.6255 12.6255 12.7298 12.7298 12.8782 12.8782 k = 0.2024 0.3505-0.0000 ( 3546 PWs) bands (ev): 0.3796 0.3796 0.7970 0.7970 5.7338 5.7338 5.9154 5.9154 6.4752 6.4752 7.2744 7.2744 7.9757 7.9757 8.6073 8.6073 9.2827 9.2827 9.3379 9.3379 9.5962 9.5962 9.7823 9.7823 10.1562 10.1562 10.2365 10.2365 10.4626 10.4626 10.6607 10.6607 10.7614 10.7614 10.9389 10.9389 10.9486 10.9486 11.4146 11.4146 12.6776 12.6776 12.8857 12.8857 13.0464 13.0464 k = 0.1964 0.3402-0.0000 ( 3534 PWs) bands (ev): 0.3250 0.3250 0.7645 0.7645 5.7375 5.7375 5.8828 5.8828 6.4455 6.4455 7.3213 7.3213 7.9198 7.9198 8.5447 8.5447 9.2373 9.2373 9.3538 9.3538 9.5949 9.5949 9.7745 9.7745 10.1416 10.1416 10.2224 10.2224 10.4669 10.4669 10.6893 10.6893 10.8137 10.8137 10.9493 10.9493 10.9616 10.9616 11.4152 11.4152 12.7199 12.7199 13.0559 13.0559 13.2169 13.2169 k = 0.1905 0.3299-0.0000 ( 3526 PWs) bands (ev): 0.2694 0.2694 0.7309 0.7309 5.7451 5.7451 5.8518 5.8518 6.4188 6.4188 7.3700 7.3700 7.8604 7.8604 8.4769 8.4769 9.1870 9.1870 9.3680 9.3680 9.5976 9.5976 9.7675 9.7675 10.1262 10.1262 10.2088 10.2088 10.4694 10.4694 10.7052 10.7052 10.8809 10.8809 10.9603 10.9603 10.9820 10.9820 11.4143 11.4143 12.7566 12.7566 13.2350 13.2350 13.3870 13.3870 k = 0.1845 0.3196-0.0000 ( 3526 PWs) bands (ev): 0.2131 0.2131 0.6962 0.6962 5.7558 5.7558 5.8231 5.8231 6.3950 6.3950 7.4204 7.4204 7.7981 7.7981 8.4051 8.4051 9.1344 9.1344 9.3791 9.3791 9.6035 9.6035 9.7614 9.7614 10.1110 10.1110 10.1960 10.1960 10.4709 10.4709 10.7167 10.7167 10.9319 10.9319 10.9717 10.9717 11.0302 11.0302 11.4118 11.4118 12.7884 12.7884 13.4212 13.4212 13.5534 13.5534 k = 0.1786 0.3093-0.0000 ( 3526 PWs) bands (ev): 0.1561 0.1561 0.6606 0.6606 5.7647 5.7647 5.8015 5.8015 6.3741 6.3741 7.4724 7.4724 7.7337 7.7337 8.3306 8.3306 9.0801 9.0801 9.3871 9.3871 9.6121 9.6121 9.7562 9.7562 10.0964 10.0964 10.1840 10.1840 10.4717 10.4717 10.7270 10.7270 10.9535 10.9535 10.9829 10.9829 11.1146 11.1146 11.4077 11.4077 12.8155 12.8155 13.6133 13.6133 13.7112 13.7112 k = 0.1726 0.2990-0.0000 ( 3530 PWs) bands (ev): 0.0988 0.0988 0.6241 0.6241 5.7535 5.7535 5.8050 5.8050 6.3560 6.3560 7.5261 7.5261 7.6679 7.6679 8.2543 8.2543 9.0249 9.0249 9.3924 9.3924 9.6226 9.6226 9.7519 9.7519 10.0830 10.0830 10.1727 10.1727 10.4721 10.4721 10.7373 10.7373 10.9636 10.9636 10.9937 10.9937 11.2145 11.2145 11.4021 11.4021 12.8382 12.8382 13.8102 13.8102 13.8551 13.8551 k = 0.1667 0.2887-0.0000 ( 3538 PWs) bands (ev): 0.0414 0.0414 0.5870 0.5870 5.7298 5.7298 5.8259 5.8259 6.3406 6.3406 7.5805 7.5805 7.6019 7.6019 8.1770 8.1770 8.9690 8.9690 9.3953 9.3953 9.6349 9.6349 9.7486 9.7486 10.0708 10.0708 10.1621 10.1621 10.4723 10.4723 10.7480 10.7480 10.9693 10.9693 11.0038 11.0038 11.3210 11.3210 11.3949 11.3949 12.8568 12.8568 13.9798 13.9798 14.0110 14.0110 k = 0.1607 0.2784-0.0000 ( 3536 PWs) bands (ev): -0.0160 -0.0160 0.5493 0.5493 5.7049 5.7049 5.8528 5.8528 6.3279 6.3279 7.5332 7.5332 7.6387 7.6387 8.0995 8.0995 8.9130 8.9130 9.3961 9.3961 9.6484 9.6484 9.7462 9.7462 10.0601 10.0601 10.1523 10.1523 10.4722 10.4722 10.7594 10.7594 10.9721 10.9721 11.0134 11.0134 11.3855 11.3855 11.4317 11.4317 12.8717 12.8717 14.0837 14.0837 14.2145 14.2145 k = 0.1548 0.2681-0.0000 ( 3540 PWs) bands (ev): -0.0731 -0.0731 0.5112 0.5112 5.6806 5.6806 5.8837 5.8837 6.3177 6.3177 7.4659 7.4659 7.6970 7.6970 8.0224 8.0224 8.8572 8.8572 9.3949 9.3949 9.6627 9.6627 9.7448 9.7448 10.0509 10.0509 10.1431 10.1431 10.4720 10.4720 10.7714 10.7714 10.9722 10.9722 11.0222 11.0222 11.3750 11.3750 11.5442 11.5442 12.8835 12.8835 14.1681 14.1681 14.4199 14.4199 k = 0.1488 0.2577-0.0000 ( 3540 PWs) bands (ev): -0.1297 -0.1297 0.4729 0.4729 5.6570 5.6570 5.9179 5.9179 6.3100 6.3100 7.3988 7.3988 7.7567 7.7567 7.9462 7.9462 8.8021 8.8021 9.3922 9.3922 9.6777 9.6777 9.7445 9.7445 10.0434 10.0434 10.1347 10.1347 10.4718 10.4718 10.7842 10.7842 10.9696 10.9696 11.0302 11.0302 11.3626 11.3626 11.6580 11.6580 12.8925 12.8925 14.2366 14.2366 14.6247 14.6248 k = 0.1429 0.2474-0.0000 ( 3544 PWs) bands (ev): -0.1857 -0.1857 0.4345 0.4345 5.6345 5.6345 5.9553 5.9553 6.3045 6.3045 7.3323 7.3323 7.8174 7.8174 7.8716 7.8716 8.7477 8.7477 9.3879 9.3879 9.6927 9.6927 9.7454 9.7454 10.0375 10.0375 10.1268 10.1268 10.4715 10.4715 10.7977 10.7977 10.9642 10.9642 11.0373 11.0373 11.3485 11.3485 11.7724 11.7724 12.8996 12.8996 14.2925 14.2925 14.5962 14.5962 k = 0.1369 0.2371-0.0000 ( 3540 PWs) bands (ev): -0.2409 -0.2409 0.3961 0.3961 5.6129 5.6129 5.9954 5.9954 6.3012 6.3012 7.2669 7.2669 7.7968 7.7968 7.8814 7.8814 8.6945 8.6945 9.3824 9.3824 9.7073 9.7073 9.7481 9.7481 10.0333 10.0333 10.1197 10.1197 10.4712 10.4712 10.8119 10.8119 10.9557 10.9557 11.0434 11.0434 11.3327 11.3327 11.8864 11.8864 12.9054 12.9054 14.3382 14.3382 14.5449 14.5449 k = 0.1310 0.2268-0.0000 ( 3530 PWs) bands (ev): -0.2950 -0.2950 0.3580 0.3580 5.5923 5.5923 6.0380 6.0380 6.2999 6.2999 7.2026 7.2026 7.7255 7.7255 7.9449 7.9449 8.6426 8.6426 9.3759 9.3759 9.7201 9.7201 9.7535 9.7535 10.0305 10.0305 10.1133 10.1133 10.4709 10.4709 10.8267 10.8267 10.9442 10.9442 11.0483 11.0483 11.3155 11.3155 11.9995 11.9995 12.9105 12.9105 14.3748 14.3748 14.4961 14.4961 k = 0.1250 0.2165-0.0000 ( 3530 PWs) bands (ev): -0.3479 -0.3479 0.3203 0.3203 5.5728 5.5728 6.0829 6.0829 6.3004 6.3004 7.1399 7.1399 7.6561 7.6561 8.0099 8.0099 8.5922 8.5922 9.3684 9.3684 9.7298 9.7298 9.7628 9.7628 10.0290 10.0290 10.1076 10.1076 10.4707 10.4707 10.8417 10.8417 10.9297 10.9297 11.0518 11.0518 11.2970 11.2970 12.1110 12.1110 12.9157 12.9157 14.3984 14.3984 14.4551 14.4551 k = 0.1190 0.2062-0.0000 ( 3526 PWs) bands (ev): -0.3995 -0.3995 0.2832 0.2832 5.5542 5.5542 6.1297 6.1297 6.3026 6.3026 7.0789 7.0789 7.5889 7.5889 8.0760 8.0760 8.5435 8.5435 9.3602 9.3602 9.7364 9.7364 9.7757 9.7757 10.0288 10.0288 10.1027 10.1027 10.4705 10.4705 10.8559 10.8559 10.9131 10.9131 11.0535 11.0535 11.2776 11.2776 12.2200 12.2200 12.9214 12.9214 14.3831 14.3831 14.4486 14.4486 k = 0.1131 0.1959-0.0000 ( 3514 PWs) bands (ev): -0.4495 -0.4495 0.2467 0.2467 5.5366 5.5366 6.1781 6.1781 6.3063 6.3063 7.0198 7.0198 7.5243 7.5243 8.1431 8.1431 8.4967 8.4967 9.3515 9.3515 9.7415 9.7415 9.7906 9.7906 10.0294 10.0294 10.0989 10.0989 10.4705 10.4705 10.8633 10.8633 10.9003 10.9003 11.0530 11.0530 11.2579 11.2579 12.3262 12.3262 12.9282 12.9282 14.3427 14.3427 14.4624 14.4624 k = 0.1071 0.1856-0.0000 ( 3514 PWs) bands (ev): -0.4979 -0.4979 0.2111 0.2111 5.5200 5.5200 6.2277 6.2277 6.3114 6.3114 6.9629 6.9629 7.4623 7.4623 8.2109 8.2109 8.4517 8.4517 9.3423 9.3423 9.7459 9.7459 9.8064 9.8064 10.0306 10.0306 10.0961 10.0961 10.4705 10.4705 10.8496 10.8496 10.9055 10.9055 11.0496 11.0496 11.2388 11.2388 12.4286 12.4286 12.9366 12.9366 14.3003 14.3003 14.4594 14.4594 k = 0.1012 0.1753-0.0000 ( 3520 PWs) bands (ev): -0.5444 -0.5444 0.1765 0.1765 5.5043 5.5043 6.2780 6.2780 6.3179 6.3179 6.9083 6.9083 7.4032 7.4032 8.2794 8.2794 8.4090 8.4090 9.3329 9.3329 9.7502 9.7502 9.8222 9.8222 10.0320 10.0320 10.0947 10.0947 10.4706 10.4706 10.8224 10.8224 10.9209 10.9209 11.0425 11.0425 11.2211 11.2211 12.5266 12.5266 12.9470 12.9470 14.2591 14.2591 14.4323 14.4323 k = 0.0952 0.1650-0.0000 ( 3524 PWs) bands (ev): -0.5890 -0.5890 0.1430 0.1430 5.4896 5.4896 6.3205 6.3205 6.3338 6.3338 6.8562 6.8562 7.3470 7.3470 8.3466 8.3466 8.3703 8.3703 9.3233 9.3233 9.7545 9.7545 9.8378 9.8378 10.0333 10.0333 10.0947 10.0947 10.4708 10.4708 10.7896 10.7896 10.9390 10.9390 11.0309 11.0309 11.2059 11.2059 12.6195 12.6195 12.9594 12.9594 14.2200 14.2200 14.4015 14.4015 k = 0.0893 0.1546-0.0000 ( 3528 PWs) bands (ev): -0.6315 -0.6315 0.1109 0.1109 5.4758 5.4758 6.3311 6.3311 6.3826 6.3826 6.8068 6.8068 7.2937 7.2937 8.3284 8.3284 8.4195 8.4195 9.3138 9.3138 9.7589 9.7589 9.8530 9.8530 10.0343 10.0343 10.0964 10.0964 10.4711 10.4711 10.7527 10.7527 10.9582 10.9582 11.0144 11.0144 11.1939 11.1939 12.7067 12.7067 12.9743 12.9743 14.1832 14.1832 14.3697 14.3697 k = 0.0833 0.1443-0.0000 ( 3532 PWs) bands (ev): -0.6718 -0.6718 0.0801 0.0801 5.4629 5.4629 6.3397 6.3397 6.4336 6.4336 6.7602 6.7602 7.2436 7.2436 8.2923 8.2923 8.4891 8.4891 9.3044 9.3044 9.7633 9.7633 9.8675 9.8675 10.0348 10.0348 10.0995 10.0995 10.4717 10.4717 10.7124 10.7124 10.9778 10.9778 10.9932 10.9932 11.1852 11.1852 12.7873 12.7873 12.9917 12.9917 14.1493 14.1493 14.3372 14.3372 k = 0.0774 0.1340-0.0000 ( 3534 PWs) bands (ev): -0.7099 -0.7099 0.0509 0.0509 5.4509 5.4509 6.3485 6.3485 6.4840 6.4840 6.7167 6.7167 7.1967 7.1967 8.2583 8.2583 8.5590 8.5590 9.2953 9.2953 9.7679 9.7679 9.8812 9.8812 10.0351 10.0351 10.1040 10.1040 10.4724 10.4724 10.6690 10.6690 10.9679 10.9679 10.9980 10.9980 11.1793 11.1793 12.8607 12.8607 13.0119 13.0119 14.1183 14.1183 14.3044 14.3044 k = 0.0714 0.1237-0.0000 ( 3528 PWs) bands (ev): -0.7455 -0.7455 0.0234 0.0234 5.4399 5.4399 6.3574 6.3574 6.5326 6.5326 6.6772 6.6772 7.1530 7.1530 8.2266 8.2266 8.6287 8.6287 9.2866 9.2866 9.7724 9.7724 9.8939 9.8939 10.0351 10.0351 10.1093 10.1093 10.4732 10.4732 10.6232 10.6232 10.9400 10.9400 11.0181 11.0181 11.1756 11.1756 12.9258 12.9258 13.0351 13.0351 14.0906 14.0906 14.2712 14.2712 k = 0.0655 0.1134-0.0000 ( 3524 PWs) bands (ev): -0.7786 -0.7786 -0.0024 -0.0024 5.4297 5.4297 6.3664 6.3664 6.5753 6.5753 6.6451 6.6451 7.1125 7.1125 8.1973 8.1973 8.6979 8.6979 9.2784 9.2784 9.7771 9.7771 9.9054 9.9054 10.0353 10.0353 10.1152 10.1152 10.4742 10.4742 10.5752 10.5752 10.9103 10.9103 11.0380 11.0380 11.1736 11.1736 12.9815 12.9815 13.0621 13.0621 14.0664 14.0664 14.2380 14.2380 k = 0.0595 0.1031-0.0000 ( 3518 PWs) bands (ev): -0.8091 -0.8091 -0.0262 -0.0262 5.4205 5.4205 6.3753 6.3753 6.5858 6.5858 6.6464 6.6464 7.0755 7.0755 8.1704 8.1704 8.7661 8.7661 9.2708 9.2708 9.7816 9.7816 9.9156 9.9156 10.0357 10.0357 10.1213 10.1213 10.4752 10.4752 10.5257 10.5257 10.8798 10.8798 11.0576 11.0576 11.1725 11.1725 13.0269 13.0269 13.0931 13.0931 14.0457 14.0457 14.2049 14.2049 k = 0.0536 0.0928-0.0000 ( 3514 PWs) bands (ev): -0.8369 -0.8369 -0.0481 -0.0481 5.4121 5.4121 6.3838 6.3838 6.5617 6.5617 6.6832 6.6832 7.0418 7.0418 8.1460 8.1460 8.8328 8.8328 9.2639 9.2639 9.7862 9.7862 9.9243 9.9243 10.0364 10.0364 10.1273 10.1273 10.4741 10.4741 10.4777 10.4777 10.8493 10.8493 11.0764 11.0764 11.1722 11.1722 13.0632 13.0632 13.1267 13.1267 14.0286 14.0286 14.1724 14.1724 k = 0.0476 0.0825-0.0000 ( 3506 PWs) bands (ev): -0.8620 -0.8620 -0.0680 -0.0680 5.4046 5.4046 6.3919 6.3919 6.5349 6.5349 6.7229 6.7229 7.0115 7.0115 8.1240 8.1240 8.8976 8.8976 9.2579 9.2579 9.7907 9.7907 9.9314 9.9314 10.0375 10.0375 10.1328 10.1328 10.4248 10.4248 10.4777 10.4777 10.8197 10.8197 11.0943 11.0943 11.1724 11.1724 13.0936 13.0936 13.1593 13.1593 14.0150 14.0150 14.1408 14.1408 k = 0.0417 0.0722-0.0000 ( 3504 PWs) bands (ev): -0.8843 -0.8843 -0.0856 -0.0856 5.3981 5.3981 6.3994 6.3994 6.5102 6.5102 6.7604 6.7604 6.9847 6.9847 8.1046 8.1046 8.9594 8.9594 9.2529 9.2529 9.7952 9.7952 9.9370 9.9370 10.0391 10.0391 10.1373 10.1373 10.3752 10.3752 10.4790 10.4790 10.7918 10.7918 11.1108 11.1108 11.1730 11.1730 13.1203 13.1203 13.1886 13.1886 14.0045 14.0045 14.1105 14.1105 k = 0.0357 0.0619-0.0000 ( 3502 PWs) bands (ev): -0.9037 -0.9037 -0.1011 -0.1011 5.3924 5.3924 6.4061 6.4061 6.4885 6.4885 6.7945 6.7945 6.9614 6.9614 8.0877 8.0877 9.0172 9.0172 9.2493 9.2493 9.7997 9.7997 9.9410 9.9410 10.0410 10.0410 10.1404 10.1404 10.3280 10.3280 10.4802 10.4802 10.7660 10.7660 11.1257 11.1257 11.1739 11.1739 13.1443 13.1443 13.2135 13.2135 13.9968 13.9968 14.0821 14.0821 k = 0.0298 0.0515-0.0000 ( 3500 PWs) bands (ev): -0.9203 -0.9203 -0.1143 -0.1143 5.3875 5.3875 6.4120 6.4120 6.4701 6.4701 6.8243 6.8243 6.9417 6.9417 8.0733 8.0733 9.0693 9.0693 9.2475 9.2475 9.8042 9.8042 9.9435 9.9435 10.0430 10.0430 10.1412 10.1412 10.2851 10.2851 10.4813 10.4813 10.7432 10.7432 11.1386 11.1386 11.1751 11.1751 13.1654 13.1654 13.2342 13.2342 13.9912 13.9912 14.0565 14.0565 k = 0.0238 0.0412-0.0000 ( 3500 PWs) bands (ev): -0.9338 -0.9338 -0.1252 -0.1252 5.3836 5.3836 6.4167 6.4167 6.4551 6.4551 6.8493 6.8493 6.9255 6.9255 8.0616 8.0616 9.1137 9.1137 9.2482 9.2482 9.8087 9.8087 9.9447 9.9447 10.0450 10.0450 10.1384 10.1384 10.2493 10.2493 10.4823 10.4823 10.7237 10.7237 11.1489 11.1489 11.1768 11.1768 13.1832 13.1832 13.2509 13.2509 13.9872 13.9872 14.0344 14.0344 k = 0.0179 0.0309-0.0000 ( 3500 PWs) bands (ev): -0.9444 -0.9444 -0.1336 -0.1336 5.3805 5.3805 6.4201 6.4201 6.4438 6.4438 6.8691 6.8691 6.9132 6.9132 8.0524 8.0524 9.1477 9.1477 9.2524 9.2524 9.8130 9.8130 9.9446 9.9446 10.0468 10.0468 10.1308 10.1308 10.2236 10.2236 10.4832 10.4832 10.7080 10.7080 11.1564 11.1564 11.1790 11.1790 13.1973 13.1973 13.2640 13.2640 13.9838 13.9838 14.0169 14.0169 k = 0.0119 0.0206-0.0000 ( 3506 PWs) bands (ev): -0.9520 -0.9520 -0.1397 -0.1397 5.3783 5.3783 6.4217 6.4217 6.4365 6.4365 6.8829 6.8829 6.9049 6.9049 8.0458 8.0458 9.1694 9.1694 9.2600 9.2600 9.8169 9.8169 9.9436 9.9436 10.0482 10.0482 10.1197 10.1197 10.2089 10.2089 10.4838 10.4838 10.6966 10.6966 11.1610 11.1610 11.1814 11.1814 13.2075 13.2075 13.2736 13.2736 13.9802 13.9802 14.0053 14.0053 k = 0.0060 0.0103-0.0000 ( 3504 PWs) bands (ev): -0.9566 -0.9566 -0.1434 -0.1434 5.3770 5.3770 6.4215 6.4215 6.4334 6.4334 6.8895 6.8895 6.9017 6.9017 8.0419 8.0419 9.1804 9.1804 9.2677 9.2677 9.8197 9.8197 9.9425 9.9425 10.0490 10.0490 10.1100 10.1100 10.2022 10.2022 10.4843 10.4843 10.6896 10.6896 11.1633 11.1633 11.1834 11.1834 13.2135 13.2135 13.2795 13.2795 13.9767 13.9767 13.9995 13.9995 k = 0.0000 0.0000 0.0000 ( 3487 PWs) bands (ev): -0.9581 -0.9581 -0.1446 -0.1446 5.3766 5.3766 6.4210 6.4210 6.4328 6.4328 6.8905 6.8905 6.9018 6.9018 8.0406 8.0406 9.1836 9.1836 9.2709 9.2709 9.8208 9.8208 9.9420 9.9420 10.0493 10.0493 10.1063 10.1063 10.2004 10.2004 10.4845 10.4845 10.6872 10.6872 11.1640 11.1640 11.1842 11.1842 13.2155 13.2155 13.2815 13.2815 13.9753 13.9753 13.9979 13.9979 k = 0.0000 0.0000 0.0000 ( 3487 PWs) bands (ev): -0.9581 -0.9581 -0.1446 -0.1446 5.3766 5.3766 6.4210 6.4210 6.4328 6.4328 6.8905 6.8905 6.9018 6.9018 8.0406 8.0406 9.1836 9.1836 9.2709 9.2709 9.8208 9.8208 9.9420 9.9420 10.0493 10.0493 10.1063 10.1063 10.2004 10.2004 10.4845 10.4845 10.6872 10.6872 11.1640 11.1640 11.1842 11.1842 13.2155 13.2155 13.2815 13.2815 13.9753 13.9753 13.9979 13.9979 k = 0.0000 0.0000 0.0120 ( 3499 PWs) bands (ev): -0.9572 -0.9572 -0.1458 -0.1458 5.3788 5.3788 6.4215 6.4215 6.4332 6.4332 6.8897 6.8897 6.9010 6.9010 8.0331 8.0331 9.1845 9.1845 9.2719 9.2719 9.8199 9.8199 9.9411 9.9411 10.0481 10.0481 10.1084 10.1084 10.2014 10.2014 10.4833 10.4833 10.6978 10.6978 11.1626 11.1626 11.1827 11.1827 13.2171 13.2171 13.2831 13.2831 13.9748 13.9748 13.9973 13.9973 k = 0.0000 0.0000 0.0239 ( 3511 PWs) bands (ev): -0.9545 -0.9545 -0.1495 -0.1495 5.3856 5.3856 6.4229 6.4229 6.4346 6.4346 6.8874 6.8874 6.8986 6.8986 8.0110 8.0110 9.1874 9.1874 9.2746 9.2746 9.8174 9.8174 9.9384 9.9384 10.0444 10.0444 10.1144 10.1144 10.2043 10.2043 10.4799 10.4799 10.7291 10.7291 11.1586 11.1586 11.1786 11.1786 13.2218 13.2218 13.2876 13.2876 13.9734 13.9734 13.9956 13.9956 k = 0.0000 0.0000 0.0359 ( 3493 PWs) bands (ev): -0.9500 -0.9500 -0.1555 -0.1555 5.3969 5.3969 6.4252 6.4252 6.4370 6.4370 6.8835 6.8835 6.8947 6.8947 7.9752 7.9752 9.1922 9.1922 9.2791 9.2791 9.8145 9.8145 9.9340 9.9340 10.0384 10.0384 10.1239 10.1239 10.2093 10.2093 10.4745 10.4745 10.7800 10.7800 11.1519 11.1519 11.1718 11.1718 13.2296 13.2296 13.2950 13.2950 13.9711 13.9711 13.9927 13.9927 k = 0.0000 0.0000 0.0479 ( 3475 PWs) bands (ev): -0.9437 -0.9437 -0.1638 -0.1638 5.4127 5.4127 6.4286 6.4286 6.4403 6.4403 6.8781 6.8781 6.8894 6.8894 7.9269 7.9269 9.1990 9.1990 9.2855 9.2855 9.8120 9.8120 9.9277 9.9277 10.0301 10.0301 10.1362 10.1362 10.2165 10.2165 10.4668 10.4668 10.8482 10.8482 11.1427 11.1427 11.1624 11.1624 13.2403 13.2403 13.3053 13.3053 13.9680 13.9680 13.9888 13.9888 k = 0.0000 0.0000 0.0598 ( 3475 PWs) bands (ev): -0.9357 -0.9357 -0.1745 -0.1745 5.4329 5.4329 6.4328 6.4328 6.4445 6.4445 6.8713 6.8713 6.8825 6.8825 7.8679 7.8679 9.2075 9.2075 9.2936 9.2936 9.8110 9.8110 9.9193 9.9193 10.0195 10.0195 10.1507 10.1507 10.2258 10.2258 10.4570 10.4570 10.9317 10.9317 11.1308 11.1308 11.1504 11.1504 13.2539 13.2539 13.3183 13.3183 13.9638 13.9638 13.9836 13.9836 k = 0.0000 0.0000 0.0718 ( 3475 PWs) bands (ev): -0.9259 -0.9259 -0.1873 -0.1873 5.4575 5.4575 6.4379 6.4379 6.4497 6.4497 6.8631 6.8631 6.8743 6.8743 7.7996 7.7996 9.2178 9.2178 9.3034 9.3034 9.8120 9.8120 9.9090 9.9090 10.0067 10.0067 10.1674 10.1674 10.2374 10.2374 10.4452 10.4452 11.0283 11.0283 11.1165 11.1165 11.1359 11.1359 13.2701 13.2701 13.3337 13.3337 13.9587 13.9587 13.9773 13.9773 k = 0.0000 0.0000 0.0838 ( 3475 PWs) bands (ev): -0.9145 -0.9145 -0.2022 -0.2022 5.4864 5.4864 6.4440 6.4440 6.4557 6.4557 6.8536 6.8536 6.8649 6.8649 7.7240 7.7240 9.2298 9.2298 9.3149 9.3149 9.8153 9.8153 9.8967 9.8967 9.9919 9.9919 10.1860 10.1860 10.2513 10.2513 10.4314 10.4314 11.0998 11.0998 11.1190 11.1190 11.1360 11.1360 13.2888 13.2888 13.3515 13.3515 13.9527 13.9527 13.9698 13.9698 k = 0.0000 0.0000 0.0958 ( 3493 PWs) bands (ev): -0.9014 -0.9014 -0.2191 -0.2191 5.5195 5.5195 6.4509 6.4509 6.4627 6.4627 6.8429 6.8429 6.8542 6.8542 7.6423 7.6423 9.2434 9.2434 9.3279 9.3279 9.8209 9.8209 9.8824 9.8824 9.9752 9.9752 10.2064 10.2064 10.2674 10.2674 10.4160 10.4160 11.0808 11.0808 11.0998 11.0998 11.2530 11.2530 13.3097 13.3097 13.3713 13.3713 13.9456 13.9456 13.9611 13.9611 k = 0.0000 0.0000 0.1077 ( 3493 PWs) bands (ev): -0.8866 -0.8866 -0.2378 -0.2378 5.5568 5.5568 6.4588 6.4588 6.4705 6.4705 6.8311 6.8311 6.8424 6.8424 7.5561 7.5561 9.2586 9.2586 9.3424 9.3424 9.8289 9.8289 9.8664 9.8664 9.9569 9.9569 10.2288 10.2288 10.2859 10.2859 10.3987 10.3987 11.0596 11.0596 11.0786 11.0786 11.3777 11.3777 13.3326 13.3326 13.3929 13.3929 13.9375 13.9375 13.9511 13.9511 k = 0.0000 0.0000 0.1197 ( 3492 PWs) bands (ev): -0.8704 -0.8704 -0.2583 -0.2583 5.5982 5.5982 6.4674 6.4674 6.4791 6.4791 6.8183 6.8183 6.8296 6.8296 7.4664 7.4664 9.2752 9.2752 9.3584 9.3584 9.8392 9.8392 9.8485 9.8485 9.9369 9.9369 10.2531 10.2531 10.3066 10.3066 10.3799 10.3799 11.0363 11.0363 11.0552 11.0552 11.5089 11.5089 13.3573 13.3573 13.4162 13.4162 13.9284 13.9284 13.9399 13.9399 k = 0.0000 0.0000 0.1317 ( 3492 PWs) bands (ev): -0.8526 -0.8526 -0.2803 -0.2803 5.6434 5.6434 6.4770 6.4770 6.4886 6.4886 6.8046 6.8046 6.8159 6.8159 7.3743 7.3743 9.2932 9.2932 9.3757 9.3757 9.8291 9.8291 9.8516 9.8516 9.9155 9.9155 10.2791 10.2791 10.3294 10.3294 10.3597 10.3597 11.0111 11.0111 11.0301 11.0301 11.6452 11.6452 13.3833 13.3833 13.4407 13.4407 13.9181 13.9181 13.9274 13.9274 k = 0.0000 0.0000 0.1436 ( 3492 PWs) bands (ev): -0.8334 -0.8334 -0.3038 -0.3038 5.6926 5.6926 6.4873 6.4873 6.4989 6.4989 6.7901 6.7901 6.8015 6.8015 7.2807 7.2807 9.3125 9.3125 9.3943 9.3943 9.8082 9.8082 9.8660 9.8660 9.8928 9.8928 10.3068 10.3068 10.3381 10.3381 10.3541 10.3541 10.9841 10.9841 11.0032 11.0032 11.7858 11.7858 13.4106 13.4106 13.4663 13.4663 13.9068 13.9068 13.9137 13.9137 k = 0.0000 0.0000 0.1556 ( 3510 PWs) bands (ev): -0.8128 -0.8128 -0.3285 -0.3285 5.7455 5.7455 6.4984 6.4984 6.5100 6.5100 6.7750 6.7750 6.7864 6.7864 7.1861 7.1861 9.3329 9.3329 9.4140 9.4140 9.7860 9.7860 9.8691 9.8691 9.8821 9.8821 10.3152 10.3152 10.3361 10.3361 10.3807 10.3807 10.9554 10.9554 10.9747 10.9747 11.9296 11.9296 13.4388 13.4388 13.4926 13.4926 13.8943 13.8943 13.8986 13.8986 k = 0.0000 0.0000 0.1676 ( 3498 PWs) bands (ev): -0.7909 -0.7909 -0.3543 -0.3543 5.8020 5.8020 6.5102 6.5102 6.5218 6.5218 6.7592 6.7592 6.7708 6.7708 7.0914 7.0914 9.3545 9.3545 9.4350 9.4350 9.7626 9.7626 9.8444 9.8444 9.9000 9.9000 10.2915 10.2915 10.3668 10.3668 10.4089 10.4089 10.9252 10.9252 10.9449 10.9449 12.0759 12.0759 13.4675 13.4675 13.5195 13.5195 13.8806 13.8806 13.8823 13.8823 k = 0.0000 0.0000 0.1795 ( 3498 PWs) bands (ev): -0.7679 -0.7679 -0.3811 -0.3811 5.8621 5.8621 6.5228 6.5228 6.5343 6.5343 6.7430 6.7430 6.7547 6.7547 6.9969 6.9969 9.3771 9.3771 9.4569 9.4569 9.7384 9.7384 9.8190 9.8190 9.9193 9.9193 10.2670 10.2670 10.3989 10.3989 10.4386 10.4386 10.8935 10.8935 10.9138 10.9138 12.2239 12.2239 13.4966 13.4966 13.5467 13.5467 13.8647 13.8647 13.8658 13.8658 k = 0.0000 0.0000 0.1915 ( 3498 PWs) bands (ev): -0.7437 -0.7437 -0.4086 -0.4086 5.9255 5.9255 6.5360 6.5360 6.5475 6.5475 6.7264 6.7264 6.7382 6.7382 6.9032 6.9032 9.4005 9.4005 9.4797 9.4797 9.7133 9.7133 9.7929 9.7929 9.9400 9.9400 10.2417 10.2417 10.4321 10.4321 10.4697 10.4697 10.8607 10.8607 10.8815 10.8815 12.3728 12.3728 13.5254 13.5254 13.5740 13.5740 13.8457 13.8457 13.8498 13.8498 k = 0.0000 0.0000 0.2035 ( 3516 PWs) bands (ev): -0.7185 -0.7185 -0.4368 -0.4368 5.9923 5.9923 6.5498 6.5498 6.5613 6.5613 6.7094 6.7094 6.7216 6.7216 6.8107 6.8107 9.4246 9.4246 9.5033 9.5033 9.6875 9.6875 9.7663 9.7663 9.9618 9.9618 10.2160 10.2160 10.4663 10.4663 10.5018 10.5018 10.8267 10.8267 10.8483 10.8483 12.5219 12.5219 13.5532 13.5532 13.6011 13.6011 13.8255 13.8255 13.8325 13.8325 k = 0.0000 0.0000 0.2154 ( 3516 PWs) bands (ev): -0.6924 -0.6924 -0.4654 -0.4654 6.0622 6.0622 6.5643 6.5643 6.5757 6.5757 6.6903 6.6903 6.7048 6.7048 6.7215 6.7215 9.4496 9.4496 9.5278 9.5278 9.6613 9.6613 9.7395 9.7395 9.9848 9.9848 10.1898 10.1898 10.5014 10.5014 10.5350 10.5350 10.7919 10.7919 10.8143 10.8143 12.6705 12.6705 13.5776 13.5776 13.6279 13.6279 13.7607 13.7607 13.8040 13.8040 k = 0.0000 0.0000 0.2274 ( 3498 PWs) bands (ev): -0.6655 -0.6655 -0.4943 -0.4943 6.1351 6.1351 6.5793 6.5793 6.5906 6.5906 6.6267 6.6267 6.6783 6.6783 6.6879 6.6879 9.4751 9.4751 9.5529 9.5529 9.6347 9.6347 9.7125 9.7125 10.0087 10.0087 10.1635 10.1635 10.5372 10.5372 10.5691 10.5691 10.7564 10.7564 10.7798 10.7798 12.8177 12.8177 13.5797 13.5797 13.6542 13.6542 13.6726 13.6726 13.7814 13.7814 k = 0.0000 0.0000 0.2394 ( 3504 PWs) bands (ev): -0.6379 -0.6379 -0.5233 -0.5233 6.2109 6.2109 6.5398 6.5398 6.5947 6.5947 6.6060 6.6060 6.6605 6.6605 6.6711 6.6711 9.5011 9.5011 9.5786 9.5786 9.6079 9.6079 9.6854 9.6854 10.0333 10.0333 10.1369 10.1369 10.5735 10.5735 10.6037 10.6037 10.7202 10.7202 10.7448 10.7448 12.9627 12.9627 13.4964 13.4964 13.6621 13.6621 13.6798 13.6798 13.7578 13.7578 k = 0.0000 0.0000 0.2514 ( 3510 PWs) bands (ev): -0.6098 -0.6098 -0.5523 -0.5523 6.2894 6.2894 6.4541 6.4541 6.6106 6.6106 6.6218 6.6218 6.6435 6.6435 6.6545 6.6545 9.5275 9.5275 9.5810 9.5810 9.6048 9.6048 9.6583 9.6583 10.0586 10.0586 10.1105 10.1105 10.6101 10.6101 10.6387 10.6387 10.6836 10.6836 10.7094 10.7094 13.1047 13.1047 13.3744 13.3744 13.6833 13.6833 13.7047 13.7047 13.7332 13.7332 k = 0.0000 0.0000 0.2633 ( 3510 PWs) bands (ev): -0.5812 -0.5812 -0.5812 -0.5812 6.3706 6.3706 6.3706 6.3706 6.6269 6.6269 6.6269 6.6269 6.6380 6.6380 6.6380 6.6380 9.5542 9.5542 9.5542 9.5542 9.6314 9.6314 9.6314 9.6314 10.0844 10.0844 10.0844 10.0844 10.6469 10.6469 10.6469 10.6469 10.6740 10.6740 10.6740 10.6740 13.2424 13.2424 13.2424 13.2424 13.7081 13.7081 13.7081 13.7081 13.7287 13.7287 k = 0.0000 0.0000 0.2633 ( 3510 PWs) bands (ev): -0.5812 -0.5812 -0.5812 -0.5812 6.3706 6.3706 6.3706 6.3706 6.6269 6.6269 6.6269 6.6269 6.6380 6.6380 6.6380 6.6380 9.5542 9.5542 9.5542 9.5542 9.6314 9.6314 9.6314 9.6314 10.0844 10.0844 10.0844 10.0844 10.6469 10.6469 10.6469 10.6469 10.6740 10.6740 10.6740 10.6740 13.2424 13.2424 13.2424 13.2424 13.7081 13.7081 13.7081 13.7081 13.7287 13.7287 k = 0.0102 0.0059 0.2633 ( 3506 PWs) bands (ev): -0.5798 -0.5798 -0.5798 -0.5798 6.3685 6.3685 6.3685 6.3685 6.6280 6.6280 6.6280 6.6280 6.6393 6.6393 6.6393 6.6393 9.5543 9.5543 9.5543 9.5543 9.6315 9.6315 9.6315 9.6315 10.0856 10.0856 10.0856 10.0856 10.6462 10.6462 10.6462 10.6462 10.6734 10.6734 10.6734 10.6734 13.2367 13.2367 13.2367 13.2367 13.7094 13.7094 13.7094 13.7094 13.7326 13.7326 k = 0.0204 0.0118 0.2633 ( 3504 PWs) bands (ev): -0.5757 -0.5757 -0.5757 -0.5757 6.3623 6.3623 6.3623 6.3623 6.6311 6.6311 6.6311 6.6311 6.6433 6.6433 6.6433 6.6433 9.5547 9.5547 9.5547 9.5547 9.6316 9.6316 9.6316 9.6316 10.0891 10.0891 10.0891 10.0891 10.6438 10.6438 10.6438 10.6438 10.6716 10.6716 10.6716 10.6716 13.2204 13.2204 13.2204 13.2204 13.7082 13.7082 13.7082 13.7082 13.7486 13.7486 k = 0.0306 0.0177 0.2633 ( 3504 PWs) bands (ev): -0.5688 -0.5688 -0.5688 -0.5688 6.3521 6.3521 6.3521 6.3521 6.6355 6.6355 6.6355 6.6355 6.6507 6.6507 6.6507 6.6507 9.5553 9.5553 9.5553 9.5553 9.6319 9.6319 9.6319 9.6319 10.0950 10.0950 10.0950 10.0950 10.6396 10.6396 10.6396 10.6396 10.6690 10.6690 10.6690 10.6690 13.1960 13.1960 13.1960 13.1960 13.7021 13.7021 13.7021 13.7021 13.7764 13.7764 k = 0.0408 0.0236 0.2633 ( 3494 PWs) bands (ev): -0.5593 -0.5593 -0.5593 -0.5593 6.3382 6.3382 6.3382 6.3382 6.6406 6.6406 6.6406 6.6406 6.6618 6.6618 6.6618 6.6618 9.5562 9.5562 9.5562 9.5562 9.6323 9.6323 9.6323 9.6323 10.1029 10.1029 10.1029 10.1029 10.6332 10.6332 10.6332 10.6332 10.6661 10.6661 10.6661 10.6661 13.1659 13.1659 13.1659 13.1659 13.6922 13.6922 13.6922 13.6922 13.8122 13.8122 k = 0.0510 0.0295 0.2633 ( 3500 PWs) bands (ev): -0.5470 -0.5470 -0.5470 -0.5470 6.3209 6.3209 6.3209 6.3209 6.6463 6.6463 6.6463 6.6463 6.6767 6.6767 6.6767 6.6767 9.5573 9.5573 9.5573 9.5573 9.6329 9.6329 9.6329 9.6329 10.1127 10.1127 10.1127 10.1127 10.6244 10.6244 10.6244 10.6244 10.6630 10.6630 10.6630 10.6630 13.1324 13.1324 13.1324 13.1324 13.6792 13.6792 13.6792 13.6792 13.8528 13.8528 k = 0.0612 0.0353 0.2633 ( 3508 PWs) bands (ev): -0.5321 -0.5321 -0.5321 -0.5321 6.3006 6.3006 6.3006 6.3006 6.6525 6.6525 6.6525 6.6525 6.6951 6.6951 6.6951 6.6951 9.5587 9.5587 9.5587 9.5587 9.6338 9.6338 9.6338 9.6338 10.1242 10.1242 10.1242 10.1242 10.6135 10.6135 10.6135 10.6135 10.6600 10.6600 10.6600 10.6600 13.0968 13.0968 13.0968 13.0968 13.6634 13.6634 13.6634 13.6634 13.8961 13.8961 k = 0.0714 0.0412 0.2633 ( 3506 PWs) bands (ev): -0.5146 -0.5146 -0.5146 -0.5146 6.2775 6.2775 6.2775 6.2775 6.6593 6.6593 6.6593 6.6593 6.7170 6.7170 6.7170 6.7170 9.5603 9.5603 9.5603 9.5603 9.6350 9.6350 9.6350 9.6350 10.1370 10.1370 10.1370 10.1370 10.6007 10.6007 10.6007 10.6007 10.6570 10.6570 10.6570 10.6570 13.0603 13.0603 13.0603 13.0603 13.6448 13.6448 13.6448 13.6448 13.9405 13.9405 k = 0.0816 0.0471 0.2633 ( 3510 PWs) bands (ev): -0.4945 -0.4945 -0.4945 -0.4945 6.2519 6.2519 6.2519 6.2519 6.6664 6.6664 6.6664 6.6664 6.7423 6.7423 6.7423 6.7423 9.5622 9.5622 9.5622 9.5622 9.6366 9.6366 9.6366 9.6366 10.1508 10.1508 10.1508 10.1508 10.5863 10.5863 10.5863 10.5863 10.6539 10.6539 10.6539 10.6539 13.0233 13.0233 13.0233 13.0233 13.6237 13.6237 13.6237 13.6237 13.9846 13.9846 k = 0.0918 0.0530 0.2633 ( 3516 PWs) bands (ev): -0.4719 -0.4719 -0.4719 -0.4719 6.2241 6.2241 6.2241 6.2241 6.6739 6.6739 6.6739 6.6739 6.7709 6.7709 6.7709 6.7709 9.5643 9.5643 9.5643 9.5643 9.6385 9.6385 9.6385 9.6385 10.1654 10.1654 10.1654 10.1654 10.5709 10.5709 10.5709 10.5709 10.6508 10.6508 10.6508 10.6508 12.9864 12.9864 12.9864 12.9864 13.6002 13.6002 13.6002 13.6002 14.0272 14.0272 k = 0.1020 0.0589 0.2633 ( 3526 PWs) bands (ev): -0.4470 -0.4470 -0.4470 -0.4470 6.1945 6.1945 6.1945 6.1945 6.6817 6.6817 6.6817 6.6817 6.8029 6.8029 6.8029 6.8029 9.5667 9.5667 9.5667 9.5667 9.6408 9.6408 9.6408 9.6408 10.1803 10.1803 10.1803 10.1803 10.5549 10.5549 10.5549 10.5549 10.6475 10.6475 10.6475 10.6475 12.9496 12.9496 12.9496 12.9496 13.5744 13.5744 13.5744 13.5744 14.0673 14.0673 k = 0.1122 0.0648 0.2633 ( 3522 PWs) bands (ev): -0.4196 -0.4196 -0.4196 -0.4196 6.1634 6.1634 6.1634 6.1634 6.6898 6.6898 6.6898 6.6898 6.8381 6.8381 6.8381 6.8381 9.5693 9.5693 9.5693 9.5693 9.6436 9.6436 9.6436 9.6436 10.1950 10.1950 10.1950 10.1950 10.5387 10.5387 10.5387 10.5387 10.6441 10.6441 10.6441 10.6441 12.9130 12.9130 12.9130 12.9130 13.5465 13.5465 13.5465 13.5465 14.1039 14.1039 k = 0.1224 0.0707 0.2633 ( 3522 PWs) bands (ev): -0.3900 -0.3900 -0.3900 -0.3900 6.1310 6.1310 6.1310 6.1310 6.6981 6.6981 6.6981 6.6981 6.8765 6.8765 6.8765 6.8765 9.5722 9.5722 9.5722 9.5722 9.6468 9.6468 9.6468 9.6468 10.2092 10.2092 10.2092 10.2092 10.5229 10.5229 10.5229 10.5229 10.6407 10.6407 10.6407 10.6407 12.8765 12.8765 12.8765 12.8765 13.5166 13.5166 13.5166 13.5166 14.1360 14.1360 k = 0.1327 0.0766 0.2633 ( 3522 PWs) bands (ev): -0.3582 -0.3582 -0.3582 -0.3582 6.0976 6.0976 6.0976 6.0976 6.7066 6.7066 6.7067 6.7067 6.9181 6.9181 6.9181 6.9181 9.5753 9.5753 9.5753 9.5753 9.6503 9.6503 9.6503 9.6503 10.2223 10.2223 10.2223 10.2223 10.5083 10.5083 10.5083 10.5083 10.6371 10.6371 10.6371 10.6371 12.8400 12.8400 12.8400 12.8400 13.4849 13.4849 13.4849 13.4849 14.1628 14.1628 k = 0.1429 0.0825 0.2633 ( 3530 PWs) bands (ev): -0.3244 -0.3244 -0.3244 -0.3244 6.0636 6.0636 6.0636 6.0636 6.7153 6.7153 6.7153 6.7153 6.9628 6.9628 6.9628 6.9628 9.5787 9.5787 9.5787 9.5787 9.6543 9.6543 9.6543 9.6543 10.2337 10.2337 10.2337 10.2337 10.4953 10.4953 10.4953 10.4953 10.6334 10.6334 10.6334 10.6334 12.8033 12.8033 12.8033 12.8033 13.4514 13.4514 13.4514 13.4514 14.1835 14.1835 k = 0.1531 0.0884 0.2633 ( 3534 PWs) bands (ev): -0.2886 -0.2886 -0.2886 -0.2886 6.0291 6.0291 6.0291 6.0291 6.7241 6.7241 6.7241 6.7241 7.0105 7.0105 7.0105 7.0105 9.5823 9.5823 9.5823 9.5823 9.6585 9.6585 9.6585 9.6585 10.2428 10.2428 10.2428 10.2428 10.4848 10.4848 10.4848 10.4848 10.6298 10.6298 10.6298 10.6298 12.7661 12.7661 12.7661 12.7661 13.4165 13.4165 13.4165 13.4165 14.1973 14.1973 k = 0.1633 0.0943 0.2633 ( 3540 PWs) bands (ev): -0.2510 -0.2510 -0.2510 -0.2510 5.9945 5.9945 5.9945 5.9945 6.7329 6.7329 6.7329 6.7329 7.0612 7.0612 7.0612 7.0612 9.5862 9.5862 9.5862 9.5862 9.6631 9.6631 9.6631 9.6631 10.2489 10.2489 10.2489 10.2489 10.4775 10.4775 10.4775 10.4775 10.6261 10.6261 10.6261 10.6261 12.7282 12.7282 12.7282 12.7282 13.3802 13.3802 13.3802 13.3802 14.2037 14.2037 k = 0.1735 0.1002 0.2633 ( 3532 PWs) bands (ev): -0.2116 -0.2116 -0.2116 -0.2116 5.9601 5.9601 5.9601 5.9601 6.7417 6.7417 6.7417 6.7417 7.1148 7.1148 7.1148 7.1148 9.5903 9.5903 9.5903 9.5903 9.6680 9.6680 9.6680 9.6680 10.2518 10.2518 10.2518 10.2518 10.4739 10.4739 10.4739 10.4739 10.6226 10.6226 10.6226 10.6226 12.6894 12.6894 12.6894 12.6894 13.3426 13.3426 13.3426 13.3426 14.2024 14.2024 k = 0.1837 0.1060 0.2633 ( 3532 PWs) bands (ev): -0.1708 -0.1708 -0.1708 -0.1708 5.9260 5.9260 5.9260 5.9260 6.7505 6.7505 6.7505 6.7505 7.1712 7.1712 7.1712 7.1712 9.5946 9.5946 9.5946 9.5946 9.6731 9.6731 9.6731 9.6731 10.2514 10.2514 10.2514 10.2514 10.4740 10.4740 10.4740 10.4740 10.6192 10.6192 10.6192 10.6192 12.6494 12.6494 12.6494 12.6494 13.3038 13.3038 13.3038 13.3038 14.1932 14.1932 k = 0.1939 0.1119 0.2633 ( 3526 PWs) bands (ev): -0.1285 -0.1285 -0.1285 -0.1285 5.8926 5.8926 5.8926 5.8926 6.7592 6.7592 6.7592 6.7592 7.2303 7.2303 7.2303 7.2303 9.5992 9.5992 9.5992 9.5992 9.6784 9.6784 9.6784 9.6784 10.2481 10.2481 10.2481 10.2481 10.4776 10.4776 10.4776 10.4776 10.6160 10.6160 10.6160 10.6160 12.6078 12.6078 12.6078 12.6078 13.2640 13.2640 13.2640 13.2640 14.1762 14.1762 k = 0.2041 0.1178 0.2633 ( 3526 PWs) bands (ev): -0.0849 -0.0849 -0.0849 -0.0849 5.8600 5.8600 5.8600 5.8600 6.7677 6.7677 6.7677 6.7677 7.2921 7.2921 7.2921 7.2921 9.6039 9.6039 9.6039 9.6039 9.6839 9.6839 9.6839 9.6839 10.2429 10.2429 10.2429 10.2429 10.4840 10.4840 10.4840 10.4840 10.6130 10.6130 10.6130 10.6130 12.5644 12.5644 12.5644 12.5644 13.2233 13.2233 13.2233 13.2233 14.1519 14.1519 k = 0.2143 0.1237 0.2633 ( 3530 PWs) bands (ev): -0.0403 -0.0403 -0.0403 -0.0403 5.8285 5.8285 5.8285 5.8285 6.7761 6.7761 6.7761 6.7761 7.3563 7.3563 7.3563 7.3563 9.6087 9.6087 9.6087 9.6087 9.6894 9.6894 9.6894 9.6894 10.2363 10.2363 10.2363 10.2363 10.4924 10.4924 10.4924 10.4924 10.6105 10.6105 10.6105 10.6105 12.5191 12.5191 12.5191 12.5191 13.1818 13.1818 13.1818 13.1818 14.1206 14.1206 k = 0.2245 0.1296 0.2633 ( 3530 PWs) bands (ev): 0.0053 0.0053 0.0053 0.0053 5.7982 5.7982 5.7982 5.7982 6.7842 6.7842 6.7842 6.7842 7.4230 7.4230 7.4230 7.4230 9.6137 9.6137 9.6137 9.6137 9.6949 9.6949 9.6949 9.6949 10.2292 10.2292 10.2292 10.2292 10.5021 10.5021 10.5021 10.5021 10.6086 10.6086 10.6086 10.6086 12.4715 12.4715 12.4715 12.4715 13.1395 13.1395 13.1395 13.1395 14.0831 14.0831 k = 0.2347 0.1355 0.2633 ( 3522 PWs) bands (ev): 0.0516 0.0516 0.0516 0.0516 5.7694 5.7694 5.7694 5.7694 6.7920 6.7920 6.7920 6.7920 7.4920 7.4920 7.4920 7.4920 9.6188 9.6188 9.6188 9.6188 9.7005 9.7005 9.7005 9.7005 10.2224 10.2224 10.2224 10.2224 10.5125 10.5125 10.5125 10.5125 10.6074 10.6074 10.6074 10.6074 12.4217 12.4217 12.4217 12.4217 13.0966 13.0966 13.0966 13.0966 14.0401 14.0401 k = 0.2449 0.1414 0.2633 ( 3518 PWs) bands (ev): 0.0984 0.0984 0.0984 0.0984 5.7423 5.7423 5.7423 5.7423 6.7994 6.7994 6.7994 6.7994 7.5631 7.5631 7.5631 7.5631 9.6240 9.6240 9.6240 9.6240 9.7060 9.7060 9.7060 9.7060 10.2162 10.2162 10.2162 10.2162 10.5231 10.5231 10.5231 10.5231 10.6072 10.6072 10.6072 10.6072 12.3694 12.3694 12.3694 12.3694 13.0531 13.0531 13.0531 13.0531 13.9921 13.9921 k = 0.2551 0.1473 0.2633 ( 3526 PWs) bands (ev): 0.1456 0.1456 0.1456 0.1456 5.7169 5.7169 5.7169 5.7169 6.8065 6.8065 6.8065 6.8065 7.6362 7.6362 7.6362 7.6362 9.6291 9.6291 9.6291 9.6291 9.7113 9.7113 9.7113 9.7113 10.2111 10.2111 10.2111 10.2111 10.5332 10.5332 10.5332 10.5332 10.6083 10.6083 10.6083 10.6083 12.3148 12.3148 12.3148 12.3148 13.0091 13.0091 13.0091 13.0091 13.9399 13.9399 k = 0.2653 0.1532 0.2633 ( 3526 PWs) bands (ev): 0.1929 0.1929 0.1929 0.1929 5.6935 5.6935 5.6935 5.6935 6.8131 6.8131 6.8131 6.8131 7.7111 7.7111 7.7111 7.7111 9.6341 9.6341 9.6341 9.6341 9.7164 9.7164 9.7164 9.7164 10.2074 10.2074 10.2074 10.2074 10.5424 10.5424 10.5424 10.5424 10.6111 10.6111 10.6111 10.6111 12.2578 12.2578 12.2578 12.2578 12.9645 12.9645 12.9645 12.9645 13.8838 13.8838 k = 0.2755 0.1591 0.2633 ( 3528 PWs) bands (ev): 0.2401 0.2401 0.2401 0.2401 5.6721 5.6721 5.6721 5.6721 6.8193 6.8193 6.8193 6.8193 7.7876 7.7876 7.7876 7.7876 9.6388 9.6388 9.6388 9.6388 9.7213 9.7213 9.7213 9.7213 10.2055 10.2055 10.2055 10.2055 10.5503 10.5503 10.5503 10.5503 10.6158 10.6158 10.6158 10.6158 12.1987 12.1987 12.1987 12.1987 12.9196 12.9196 12.9196 12.9196 13.8243 13.8243 k = 0.2857 0.1650 0.2633 ( 3524 PWs) bands (ev): 0.2871 0.2871 0.2871 0.2871 5.6528 5.6528 5.6528 5.6528 6.8249 6.8249 6.8249 6.8249 7.8655 7.8655 7.8655 7.8655 9.6433 9.6433 9.6433 9.6433 9.7259 9.7259 9.7259 9.7259 10.2055 10.2055 10.2055 10.2055 10.5569 10.5569 10.5569 10.5569 10.6225 10.6225 10.6225 10.6225 12.1376 12.1376 12.1376 12.1376 12.8742 12.8742 12.8742 12.8742 13.7615 13.7615 k = 0.2959 0.1708 0.2633 ( 3532 PWs) bands (ev): 0.3336 0.3336 0.3336 0.3336 5.6357 5.6357 5.6357 5.6357 6.8301 6.8301 6.8301 6.8301 7.9447 7.9447 7.9447 7.9447 9.6472 9.6472 9.6472 9.6472 9.7301 9.7301 9.7301 9.7301 10.2074 10.2074 10.2074 10.2074 10.5624 10.5624 10.5624 10.5624 10.6310 10.6310 10.6310 10.6310 12.0750 12.0750 12.0750 12.0750 12.8285 12.8285 12.8285 12.8285 13.6955 13.6955 k = 0.3061 0.1767 0.2633 ( 3532 PWs) bands (ev): 0.3794 0.3794 0.3794 0.3794 5.6208 5.6208 5.6208 5.6208 6.8348 6.8348 6.8348 6.8348 8.0247 8.0247 8.0247 8.0247 9.6506 9.6506 9.6506 9.6506 9.7339 9.7339 9.7339 9.7339 10.2117 10.2117 10.2117 10.2117 10.5671 10.5671 10.5671 10.5671 10.6411 10.6411 10.6411 10.6411 12.0111 12.0111 12.0111 12.0111 12.7825 12.7825 12.7825 12.7825 13.6266 13.6266 k = 0.3163 0.1826 0.2633 ( 3528 PWs) bands (ev): 0.4243 0.4243 0.4243 0.4243 5.6081 5.6081 5.6081 5.6081 6.8389 6.8389 6.8389 6.8389 8.1055 8.1055 8.1055 8.1055 9.6532 9.6532 9.6532 9.6532 9.7372 9.7372 9.7372 9.7372 10.2182 10.2182 10.2182 10.2182 10.5716 10.5716 10.5716 10.5716 10.6521 10.6521 10.6521 10.6521 11.9466 11.9466 11.9466 11.9466 12.7361 12.7361 12.7361 12.7361 13.5546 13.5546 k = 0.3265 0.1885 0.2633 ( 3540 PWs) bands (ev): 0.4681 0.4681 0.4681 0.4681 5.5977 5.5977 5.5977 5.5977 6.8425 6.8425 6.8425 6.8425 8.1866 8.1866 8.1866 8.1866 9.6549 9.6549 9.6549 9.6549 9.7399 9.7399 9.7399 9.7399 10.2269 10.2269 10.2269 10.2269 10.5761 10.5761 10.5761 10.5761 10.6639 10.6639 10.6639 10.6639 11.8818 11.8818 11.8818 11.8818 12.6895 12.6895 12.6895 12.6895 13.4798 13.4798 k = 0.3367 0.1944 0.2633 ( 3544 PWs) bands (ev): 0.5105 0.5105 0.5105 0.5105 5.5894 5.5894 5.5894 5.5894 6.8456 6.8456 6.8456 6.8456 8.2677 8.2677 8.2677 8.2677 9.6557 9.6557 9.6557 9.6557 9.7421 9.7421 9.7421 9.7421 10.2379 10.2379 10.2379 10.2379 10.5810 10.5810 10.5810 10.5810 10.6763 10.6763 10.6763 10.6763 11.8174 11.8174 11.8174 11.8174 12.6428 12.6428 12.6428 12.6428 13.4022 13.4022 k = 0.3469 0.2003 0.2633 ( 3544 PWs) bands (ev): 0.5515 0.5515 0.5515 0.5515 5.5832 5.5832 5.5832 5.5832 6.8482 6.8482 6.8482 6.8482 8.3486 8.3486 8.3486 8.3486 9.6555 9.6555 9.6555 9.6555 9.7435 9.7435 9.7435 9.7435 10.2510 10.2510 10.2510 10.2510 10.5865 10.5865 10.5865 10.5865 10.6890 10.6890 10.6890 10.6890 11.7539 11.7539 11.7539 11.7539 12.5959 12.5959 12.5959 12.5959 13.3223 13.3223 k = 0.3571 0.2062 0.2633 ( 3540 PWs) bands (ev): 0.5907 0.5907 0.5907 0.5907 5.5790 5.5790 5.5790 5.5790 6.8503 6.8503 6.8503 6.8503 8.4287 8.4287 8.4287 8.4287 9.6542 9.6542 9.6542 9.6542 9.7443 9.7443 9.7443 9.7443 10.2660 10.2660 10.2660 10.2660 10.5928 10.5928 10.5928 10.5928 10.7020 10.7020 10.7020 10.7020 11.6920 11.6920 11.6920 11.6920 12.5490 12.5490 12.5490 12.5490 13.2404 13.2404 k = 0.3673 0.2121 0.2633 ( 3536 PWs) bands (ev): 0.6280 0.6280 0.6280 0.6280 5.5766 5.5766 5.5766 5.5766 6.8520 6.8520 6.8520 6.8520 8.5076 8.5076 8.5076 8.5076 9.6519 9.6519 9.6519 9.6519 9.7442 9.7442 9.7442 9.7442 10.2827 10.2827 10.2827 10.2827 10.5999 10.5999 10.5999 10.5999 10.7153 10.7153 10.7153 10.7153 11.6323 11.6323 11.6323 11.6323 12.5022 12.5022 12.5022 12.5022 13.1572 13.1572 k = 0.3776 0.2180 0.2633 ( 3546 PWs) bands (ev): 0.6632 0.6632 0.6632 0.6632 5.5759 5.5759 5.5759 5.5759 6.8533 6.8533 6.8533 6.8533 8.5850 8.5850 8.5850 8.5850 9.6486 9.6486 9.6486 9.6486 9.7432 9.7432 9.7432 9.7432 10.3006 10.3006 10.3006 10.3006 10.6077 10.6077 10.6077 10.6077 10.7288 10.7288 10.7288 10.7288 11.5754 11.5754 11.5754 11.5754 12.4557 12.4557 12.4557 12.4557 13.0733 13.0733 k = 0.3878 0.2239 0.2633 ( 3546 PWs) bands (ev): 0.6962 0.6962 0.6962 0.6962 5.5767 5.5767 5.5767 5.5767 6.8542 6.8542 6.8542 6.8542 8.6602 8.6602 8.6602 8.6602 9.6444 9.6444 9.6444 9.6444 9.7412 9.7412 9.7412 9.7412 10.3196 10.3196 10.3196 10.3196 10.6164 10.6164 10.6164 10.6164 10.7425 10.7425 10.7425 10.7425 11.5220 11.5220 11.5220 11.5220 12.4098 12.4098 12.4098 12.4098 12.9896 12.9896 k = 0.3980 0.2298 0.2633 ( 3542 PWs) bands (ev): 0.7268 0.7268 0.7268 0.7268 5.5787 5.5787 5.5787 5.5787 6.8548 6.8548 6.8548 6.8548 8.7328 8.7328 8.7328 8.7328 9.6395 9.6395 9.6395 9.6395 9.7384 9.7384 9.7384 9.7384 10.3390 10.3390 10.3390 10.3390 10.6259 10.6259 10.6259 10.6259 10.7563 10.7563 10.7563 10.7563 11.4727 11.4727 11.4727 11.4727 12.3648 12.3648 12.3648 12.3648 12.9071 12.9071 k = 0.4082 0.2357 0.2633 ( 3542 PWs) bands (ev): 0.7549 0.7549 0.7549 0.7549 5.5816 5.5816 5.5816 5.5816 6.8551 6.8551 6.8551 6.8551 8.8020 8.8020 8.8020 8.8020 9.6341 9.6341 9.6341 9.6341 9.7345 9.7345 9.7345 9.7345 10.3584 10.3584 10.3584 10.3584 10.6358 10.6358 10.6358 10.6358 10.7701 10.7701 10.7701 10.7701 11.4281 11.4281 11.4281 11.4281 12.3210 12.3210 12.3210 12.3210 12.8267 12.8267 k = 0.4184 0.2415 0.2633 ( 3548 PWs) bands (ev): 0.7804 0.7804 0.7804 0.7804 5.5853 5.5853 5.5853 5.5853 6.8551 6.8551 6.8551 6.8551 8.8674 8.8674 8.8674 8.8674 9.6282 9.6282 9.6282 9.6282 9.7297 9.7297 9.7297 9.7297 10.3773 10.3773 10.3773 10.3773 10.6461 10.6461 10.6461 10.6461 10.7835 10.7835 10.7835 10.7835 11.3886 11.3886 11.3886 11.3886 12.2790 12.2790 12.2790 12.2790 12.7495 12.7495 k = 0.4286 0.2474 0.2633 ( 3548 PWs) bands (ev): 0.8031 0.8031 0.8031 0.8031 5.5894 5.5894 5.5894 5.5894 6.8550 6.8550 6.8550 6.8550 8.9281 8.9281 8.9281 8.9281 9.6223 9.6223 9.6223 9.6223 9.7240 9.7240 9.7240 9.7240 10.3952 10.3952 10.3952 10.3952 10.6565 10.6565 10.6565 10.6565 10.7965 10.7965 10.7965 10.7965 11.3546 11.3546 11.3546 11.3546 12.2393 12.2393 12.2393 12.2393 12.6768 12.6768 k = 0.4388 0.2533 0.2633 ( 3548 PWs) bands (ev): 0.8229 0.8229 0.8229 0.8229 5.5937 5.5937 5.5937 5.5937 6.8548 6.8548 6.8548 6.8548 8.9835 8.9835 8.9835 8.9835 9.6165 9.6165 9.6165 9.6165 9.7177 9.7177 9.7177 9.7177 10.4117 10.4117 10.4117 10.4117 10.6667 10.6667 10.6667 10.6667 10.8086 10.8086 10.8086 10.8086 11.3265 11.3265 11.3265 11.3265 12.2027 12.2027 12.2027 12.2027 12.6098 12.6098 k = 0.4490 0.2592 0.2633 ( 3544 PWs) bands (ev): 0.8398 0.8398 0.8398 0.8398 5.5978 5.5978 5.5978 5.5978 6.8545 6.8545 6.8545 6.8545 9.0328 9.0328 9.0328 9.0328 9.6112 9.6112 9.6112 9.6112 9.7111 9.7111 9.7111 9.7111 10.4263 10.4263 10.4263 10.4263 10.6762 10.6762 10.6762 10.6762 10.8194 10.8194 10.8194 10.8194 11.3041 11.3041 11.3041 11.3041 12.1698 12.1698 12.1698 12.1698 12.5498 12.5498 k = 0.4592 0.2651 0.2633 ( 3548 PWs) bands (ev): 0.8538 0.8538 0.8538 0.8538 5.6016 5.6016 5.6016 5.6016 6.8542 6.8542 6.8542 6.8542 9.0749 9.0749 9.0749 9.0749 9.6063 9.6063 9.6063 9.6063 9.7044 9.7044 9.7044 9.7044 10.4387 10.4387 10.4387 10.4387 10.6848 10.6848 10.6848 10.6848 10.8285 10.8285 10.8285 10.8285 11.2873 11.2873 11.2873 11.2873 12.1414 12.1414 12.1414 12.1414 12.4981 12.4981 k = 0.4694 0.2710 0.2633 ( 3536 PWs) bands (ev): 0.8647 0.8647 0.8647 0.8647 5.6048 5.6048 5.6048 5.6048 6.8540 6.8540 6.8540 6.8540 9.1091 9.1091 9.1091 9.1091 9.6024 9.6024 9.6024 9.6024 9.6983 9.6983 9.6983 9.6983 10.4486 10.4486 10.4486 10.4486 10.6919 10.6919 10.6919 10.6919 10.8358 10.8358 10.8358 10.8358 11.2755 11.2755 11.2755 11.2755 12.1183 12.1183 12.1183 12.1183 12.4560 12.4560 k = 0.4796 0.2769 0.2633 ( 3536 PWs) bands (ev): 0.8725 0.8725 0.8725 0.8725 5.6072 5.6072 5.6072 5.6072 6.8537 6.8537 6.8537 6.8537 9.1344 9.1344 9.1344 9.1344 9.5995 9.5995 9.5995 9.5995 9.6932 9.6932 9.6932 9.6932 10.4558 10.4558 10.4558 10.4558 10.6973 10.6973 10.6973 10.6973 10.8410 10.8410 10.8410 10.8410 11.2679 11.2679 11.2679 11.2679 12.1012 12.1012 12.1012 12.1012 12.4249 12.4249 k = 0.4898 0.2828 0.2633 ( 3536 PWs) bands (ev): 0.8772 0.8772 0.8772 0.8772 5.6087 5.6087 5.6087 5.6087 6.8536 6.8536 6.8536 6.8536 9.1500 9.1500 9.1500 9.1500 9.5976 9.5976 9.5976 9.5976 9.6899 9.6899 9.6899 9.6899 10.4602 10.4602 10.4602 10.4602 10.7006 10.7006 10.7006 10.7006 10.8442 10.8442 10.8442 10.8442 11.2638 11.2638 11.2638 11.2638 12.0907 12.0907 12.0907 12.0907 12.4058 12.4058 k = 0.5000 0.2887 0.2633 ( 3540 PWs) bands (ev): 0.8788 0.8788 0.8788 0.8788 5.6093 5.6093 5.6093 5.6093 6.8535 6.8535 6.8535 6.8535 9.1552 9.1552 9.1552 9.1552 9.5970 9.5970 9.5970 9.5970 9.6887 9.6887 9.6887 9.6887 10.4616 10.4616 10.4616 10.4616 10.7017 10.7017 10.7017 10.7017 10.8452 10.8452 10.8452 10.8452 11.2625 11.2625 11.2625 11.2625 12.0872 12.0872 12.0872 12.0872 12.3993 12.3993 k = 0.5000 0.2887 0.2633 ( 3540 PWs) bands (ev): 0.8788 0.8788 0.8788 0.8788 5.6093 5.6093 5.6093 5.6093 6.8535 6.8535 6.8535 6.8535 9.1552 9.1552 9.1552 9.1552 9.5970 9.5970 9.5970 9.5970 9.6887 9.6887 9.6887 9.6887 10.4616 10.4616 10.4616 10.4616 10.7017 10.7017 10.7017 10.7017 10.8452 10.8452 10.8452 10.8452 11.2625 11.2625 11.2625 11.2625 12.0872 12.0872 12.0872 12.0872 12.3993 12.3993 k = 0.4940 0.2990 0.2633 ( 3532 PWs) bands (ev): 0.8768 0.8768 0.8820 0.8820 5.6099 5.6099 5.6115 5.6115 6.8532 6.8532 6.8541 6.8541 9.1501 9.1501 9.1525 9.1525 9.5948 9.5948 9.6039 9.6039 9.6881 9.6881 9.6891 9.6891 10.4556 10.4556 10.4661 10.4661 10.6809 10.6809 10.7146 10.7146 10.8378 10.8378 10.8545 10.8545 11.2568 11.2568 11.2622 11.2622 12.0907 12.0907 12.0999 12.0999 12.3950 12.3950 k = 0.4881 0.3093 0.2633 ( 3540 PWs) bands (ev): 0.8762 0.8762 0.8864 0.8864 5.6135 5.6135 5.6167 5.6167 6.8530 6.8530 6.8548 6.8548 9.1370 9.1370 9.1421 9.1421 9.5969 9.5969 9.6148 9.6148 9.6871 9.6871 9.6894 9.6894 10.4477 10.4477 10.4690 10.4690 10.6543 10.6543 10.7174 10.7174 10.8345 10.8345 10.8632 10.8632 11.2464 11.2464 11.2562 11.2562 12.1100 12.1100 12.1274 12.1274 12.3839 12.3839 k = 0.4821 0.3196 0.2633 ( 3546 PWs) bands (ev): 0.8767 0.8767 0.8921 0.8921 5.6200 5.6200 5.6247 5.6247 6.8530 6.8530 6.8557 6.8557 9.1163 9.1163 9.1246 9.1246 9.6026 9.6026 9.6289 9.6289 9.6862 9.6862 9.6899 9.6899 10.4379 10.4379 10.4702 10.4702 10.6239 10.6239 10.7103 10.7103 10.8358 10.8358 10.8698 10.8698 11.2339 11.2339 11.2463 11.2463 12.1426 12.1426 12.1665 12.1665 12.3672 12.3672 k = 0.4762 0.3299 0.2633 ( 3542 PWs) bands (ev): 0.8785 0.8785 0.8990 0.8990 5.6294 5.6294 5.6357 5.6357 6.8532 6.8532 6.8568 6.8568 9.0885 9.0885 9.1004 9.1004 9.6105 9.6105 9.6440 9.6440 9.6867 9.6867 9.6914 9.6914 10.4260 10.4260 10.4694 10.4694 10.5914 10.5914 10.6961 10.6961 10.8394 10.8394 10.8733 10.8733 11.2218 11.2218 11.2348 11.2348 12.1841 12.1841 12.2111 12.2111 12.3483 12.3487 k = 0.4702 0.3402 0.2633 ( 3554 PWs) bands (ev): 0.8815 0.8815 0.9070 0.9070 5.6418 5.6418 5.6496 5.6496 6.8536 6.8536 6.8581 6.8581 9.0539 9.0539 9.0698 9.0698 9.6188 9.6188 9.6554 9.6554 9.6925 9.6925 9.6951 9.6951 10.4118 10.4118 10.4659 10.4659 10.5589 10.5589 10.6781 10.6781 10.8425 10.8425 10.8732 10.8732 11.2122 11.2122 11.2241 11.2241 12.2244 12.2244 12.2440 12.2440 12.3363 12.3363 k = 0.4643 0.3505 0.2633 ( 3554 PWs) bands (ev): 0.8856 0.8856 0.9160 0.9160 5.6571 5.6571 5.6665 5.6665 6.8543 6.8543 6.8598 6.8598 9.0130 9.0130 9.0333 9.0333 9.6255 9.6255 9.6586 9.6586 9.7023 9.7023 9.7076 9.7076 10.3954 10.3954 10.4574 10.4574 10.5298 10.5298 10.6589 10.6589 10.8438 10.8438 10.8696 10.8696 11.2064 11.2064 11.2161 11.2161 12.2355 12.2355 12.2358 12.2358 12.3496 12.3496 k = 0.4583 0.3608 0.2633 ( 3558 PWs) bands (ev): 0.8908 0.8908 0.9261 0.9261 5.6754 5.6754 5.6862 5.6862 6.8551 6.8551 6.8617 6.8617 8.9661 8.9661 8.9908 8.9908 9.6293 9.6293 9.6563 9.6563 9.7140 9.7140 9.7286 9.7286 10.3770 10.3770 10.4411 10.4411 10.5083 10.5083 10.6401 10.6401 10.8428 10.8428 10.8632 10.8632 11.2046 11.2046 11.2117 11.2117 12.2004 12.2004 12.2097 12.2097 12.3991 12.3991 k = 0.4524 0.3712 0.2633 ( 3554 PWs) bands (ev): 0.8969 0.8969 0.9370 0.9370 5.6966 5.6966 5.7089 5.7089 6.8562 6.8562 6.8639 6.8639 8.9133 8.9133 8.9424 8.9424 9.6301 9.6301 9.6519 9.6519 9.7296 9.7296 9.7520 9.7520 10.3570 10.3570 10.4171 10.4171 10.4954 10.4954 10.6227 10.6227 10.8394 10.8394 10.8547 10.8547 11.2066 11.2066 11.2111 11.2111 12.1555 12.1555 12.1685 12.1685 12.4616 12.4616 k = 0.4464 0.3815 0.2633 ( 3542 PWs) bands (ev): 0.9039 0.9039 0.9488 0.9488 5.7208 5.7208 5.7345 5.7345 6.8576 6.8576 6.8664 6.8664 8.8550 8.8550 8.8882 8.8882 9.6290 9.6290 9.6466 9.6466 9.7481 9.7481 9.7761 9.7761 10.3360 10.3360 10.3902 10.3902 10.4874 10.4874 10.6072 10.6072 10.8344 10.8344 10.8451 10.8451 11.2117 11.2117 11.2139 11.2139 12.1053 12.1053 12.1207 12.1207 12.5279 12.5279 k = 0.4405 0.3918 0.2633 ( 3534 PWs) bands (ev): 0.9118 0.9118 0.9612 0.9612 5.7479 5.7479 5.7629 5.7629 6.8592 6.8592 6.8694 6.8694 8.7914 8.7914 8.8284 8.8284 9.6268 9.6268 9.6411 9.6411 9.7682 9.7682 9.8002 9.8002 10.3147 10.3147 10.3639 10.3639 10.4814 10.4814 10.5937 10.5937 10.8281 10.8281 10.8353 10.8353 11.2190 11.2190 11.2196 11.2196 12.0517 12.0517 12.0688 12.0688 12.5951 12.5951 k = 0.4345 0.4021 0.2633 ( 3546 PWs) bands (ev): 0.9204 0.9204 0.9742 0.9742 5.7779 5.7779 5.7942 5.7942 6.8612 6.8612 6.8728 6.8728 8.7228 8.7228 8.7630 8.7630 9.6243 9.6243 9.6358 9.6358 9.7890 9.7890 9.8236 9.8236 10.2934 10.2934 10.3400 10.3400 10.4761 10.4761 10.5823 10.5823 10.8214 10.8214 10.8259 10.8259 11.2274 11.2274 11.2278 11.2278 11.9959 11.9959 12.0144 12.0144 12.6617 12.6617 k = 0.4286 0.4124 0.2633 ( 3546 PWs) bands (ev): 0.9295 0.9295 0.9877 0.9877 5.8109 5.8109 5.8283 5.8283 6.8635 6.8635 6.8766 6.8766 8.6497 8.6497 8.6925 8.6925 9.6220 9.6220 9.6312 9.6312 9.8100 9.8100 9.8459 9.8459 10.2728 10.2728 10.3191 10.3191 10.4711 10.4711 10.5727 10.5727 10.8149 10.8149 10.8175 10.8175 11.2369 11.2369 11.2377 11.2377 11.9388 11.9388 11.9585 11.9585 12.7268 12.7268 k = 0.4226 0.4227 0.2633 ( 3538 PWs) bands (ev): 0.9391 0.9391 1.0014 1.0014 5.8466 5.8466 5.8651 5.8651 6.8662 6.8662 6.8810 6.8810 8.5726 8.5726 8.6174 8.6174 9.6204 9.6204 9.6276 9.6276 9.8306 9.8306 9.8668 9.8668 10.2530 10.2530 10.3010 10.3010 10.4663 10.4663 10.5648 10.5648 10.8091 10.8091 10.8107 10.8107 11.2473 11.2473 11.2481 11.2481 11.8814 11.8814 11.9019 11.9019 12.7898 12.7898 k = 0.4167 0.4330 0.2633 ( 3538 PWs) bands (ev): 0.9490 0.9490 1.0153 1.0153 5.8851 5.8851 5.9044 5.9044 6.8692 6.8692 6.8860 6.8860 8.4921 8.4921 8.5383 8.5383 9.6199 9.6199 9.6254 9.6254 9.8504 9.8504 9.8858 9.8858 10.2339 10.2339 10.2854 10.2854 10.4617 10.4617 10.5583 10.5583 10.8045 10.8045 10.8057 10.8057 11.2584 11.2584 11.2586 11.2586 11.8244 11.8244 11.8455 11.8455 12.8501 12.8501 k = 0.4107 0.4433 0.2633 ( 3534 PWs) bands (ev): 0.9592 0.9592 1.0293 1.0293 5.9261 5.9261 5.9461 5.9461 6.8726 6.8726 6.8917 6.8917 8.4087 8.4087 8.4558 8.4558 9.6205 9.6205 9.6246 9.6246 9.8691 9.8691 9.9029 9.9029 10.2154 10.2154 10.2715 10.2715 10.4576 10.4576 10.5532 10.5532 10.8014 10.8014 10.8031 10.8031 11.2690 11.2690 11.2696 11.2696 11.7685 11.7685 11.7900 11.7900 12.9073 12.9073 k = 0.4048 0.4536 0.2633 ( 3542 PWs) bands (ev): 0.9694 0.9694 1.0431 1.0431 5.9696 5.9696 5.9899 5.9899 6.8764 6.8764 6.8982 6.8982 8.3233 8.3233 8.3706 8.3706 9.6226 9.6226 9.6254 9.6254 9.8865 9.8865 9.9180 9.9180 10.1972 10.1972 10.2586 10.2586 10.4539 10.4539 10.5491 10.5491 10.8003 10.8003 10.8029 10.8029 11.2789 11.2789 11.2808 11.2808 11.7145 11.7145 11.7359 11.7359 12.9612 12.9612 k = 0.3988 0.4639 0.2633 ( 3546 PWs) bands (ev): 0.9795 0.9795 1.0566 1.0566 6.0152 6.0152 6.0356 6.0356 6.8808 6.8808 6.9056 6.9056 8.2366 8.2366 8.2836 8.2836 9.6263 9.6263 9.6281 9.6281 9.9023 9.9023 9.9311 9.9311 10.1791 10.1791 10.2459 10.2459 10.4508 10.4508 10.5458 10.5458 10.8015 10.8015 10.8055 10.8055 11.2882 11.2882 11.2915 11.2915 11.6628 11.6628 11.6838 11.6838 13.0116 13.0116 k = 0.3929 0.4743 0.2633 ( 3542 PWs) bands (ev): 0.9895 0.9895 1.0696 1.0696 6.0625 6.0625 6.0826 6.0826 6.8856 6.8856 6.9141 6.9141 8.1494 8.1494 8.1956 8.1956 9.6316 9.6316 9.6325 9.6325 9.9165 9.9165 9.9423 9.9423 10.1608 10.1608 10.2327 10.2327 10.4484 10.4484 10.5431 10.5431 10.8051 10.8051 10.8109 10.8109 11.2967 11.2967 11.3018 11.3018 11.6141 11.6141 11.6342 11.6342 13.0581 13.0581 k = 0.3869 0.4846 0.2633 ( 3538 PWs) bands (ev): 0.9991 0.9991 1.0821 1.0821 6.1112 6.1112 6.1305 6.1305 6.8910 6.8910 6.9238 6.9238 8.0626 8.0626 8.1073 8.1073 9.6386 9.6386 9.6386 9.6386 9.9291 9.9291 9.9518 9.9518 10.1421 10.1421 10.2186 10.2186 10.4463 10.4463 10.5407 10.5407 10.8113 10.8113 10.8192 10.8192 11.3043 11.3043 11.3112 11.3112 11.5688 11.5688 11.5877 11.5877 13.1006 13.1006 k = 0.3810 0.4949 0.2633 ( 3542 PWs) bands (ev): 1.0083 1.0083 1.0939 1.0939 6.1606 6.1606 6.1785 6.1785 6.8971 6.8971 6.9351 6.9351 7.9770 7.9770 8.0197 8.0197 9.6463 9.6463 9.6471 9.6471 9.9400 9.9400 9.9596 9.9596 10.1229 10.1229 10.2034 10.2034 10.4446 10.4446 10.5385 10.5385 10.8200 10.8200 10.8299 10.8299 11.3106 11.3106 11.3198 11.3198 11.5273 11.5273 11.5445 11.5445 13.1388 13.1388 k = 0.3750 0.5052 0.2633 ( 3534 PWs) bands (ev): 1.0168 1.0168 1.1047 1.1047 6.2097 6.2097 6.2258 6.2258 6.9038 6.9038 6.9482 6.9482 7.8939 7.8939 7.9337 7.9337 9.6554 9.6554 9.6570 9.6570 9.9495 9.9495 9.9662 9.9662 10.1034 10.1034 10.1871 10.1871 10.4432 10.4432 10.5364 10.5364 10.8307 10.8307 10.8429 10.8429 11.3157 11.3157 11.3272 11.3272 11.4901 11.4901 11.5051 11.5051 13.1726 13.1726 k = 0.3690 0.5155 0.2633 ( 3538 PWs) bands (ev): 1.0246 1.0246 1.1145 1.1145 6.2577 6.2577 6.2711 6.2711 6.9114 6.9114 6.9633 6.9633 7.8145 7.8145 7.8507 7.8507 9.6656 9.6656 9.6680 9.6680 9.9575 9.9575 9.9715 9.9715 10.0835 10.0835 10.1702 10.1702 10.4418 10.4418 10.5343 10.5343 10.8431 10.8431 10.8572 10.8572 11.3192 11.3192 11.3333 11.3333 11.4575 11.4575 11.4700 11.4700 13.2018 13.2018 k = 0.3631 0.5258 0.2633 ( 3534 PWs) bands (ev): 1.0315 1.0315 1.1232 1.1232 6.3031 6.3031 6.3131 6.3131 6.9196 6.9196 6.9805 6.9805 7.7405 7.7405 7.7721 7.7721 9.6763 9.6763 9.6798 9.6798 9.9643 9.9643 9.9757 9.9757 10.0638 10.0638 10.1531 10.1531 10.4405 10.4405 10.5323 10.5323 10.8563 10.8563 10.8723 10.8723 11.3209 11.3209 11.3379 11.3379 11.4302 11.4302 11.4397 11.4397 13.2261 13.2261 k = 0.3571 0.5361 0.2633 ( 3526 PWs) bands (ev): 1.0375 1.0375 1.1305 1.1305 6.3442 6.3442 6.3505 6.3505 6.9285 6.9285 6.9995 6.9995 7.6737 7.6737 7.6998 7.6998 9.6871 9.6871 9.6918 9.6918 9.9701 9.9701 9.9790 9.9790 10.0449 10.0449 10.1369 10.1369 10.4392 10.4392 10.5304 10.5304 10.8695 10.8695 10.8870 10.8870 11.3205 11.3205 11.3403 11.3403 11.4088 11.4088 11.4152 11.4152 13.2456 13.2456 k = 0.3512 0.5464 0.2633 ( 3530 PWs) bands (ev): 1.0423 1.0423 1.1364 1.1364 6.3792 6.3792 6.3816 6.3816 6.9373 6.9373 7.0192 7.0192 7.6168 7.6168 7.6366 7.6366 9.6971 9.6971 9.7031 9.7031 9.9751 9.9751 9.9815 9.9815 10.0273 10.0273 10.1223 10.1223 10.4381 10.4381 10.5288 10.5288 10.8815 10.8815 10.9003 10.9003 11.3183 11.3183 11.3401 11.3401 11.3933 11.3933 11.3973 11.3973 13.2603 13.2603 k = 0.3452 0.5567 0.2633 ( 3530 PWs) bands (ev): 1.0458 1.0458 1.1408 1.1408 6.4051 6.4051 6.4061 6.4061 6.9452 6.9452 7.0374 7.0374 7.5728 7.5728 7.5860 7.5860 9.7054 9.7054 9.7127 9.7127 9.9797 9.9797 9.9832 9.9832 10.0121 10.0121 10.1106 10.1106 10.4371 10.4371 10.5275 10.5275 10.8914 10.8914 10.9110 10.9110 11.3149 11.3149 11.3374 11.3374 11.3836 11.3836 11.3866 11.3866 13.2702 13.2702 k = 0.3393 0.5670 0.2633 ( 3530 PWs) bands (ev): 1.0481 1.0481 1.1435 1.1435 6.4197 6.4197 6.4232 6.4232 6.9507 6.9507 7.0509 7.0509 7.5447 7.5447 7.5527 7.5527 9.7110 9.7110 9.7192 9.7192 9.9842 9.9842 9.9846 9.9846 9.9999 9.9999 10.1029 10.1029 10.4364 10.4364 10.5266 10.5266 10.8979 10.8979 10.9181 10.9181 11.3119 11.3119 11.3340 11.3340 11.3785 11.3785 11.3816 11.3816 13.2758 13.2758 k = 0.3333 0.5774 0.2633 ( 3534 PWs) bands (ev): 1.0488 1.0488 1.1444 1.1444 6.4246 6.4246 6.4290 6.4290 6.9527 6.9527 7.0559 7.0559 7.5350 7.5350 7.5410 7.5410 9.7131 9.7131 9.7216 9.7216 9.9845 9.9845 9.9897 9.9897 9.9922 9.9922 10.1001 10.1001 10.4362 10.4362 10.5263 10.5263 10.9002 10.9002 10.9205 10.9205 11.3108 11.3108 11.3325 11.3325 11.3769 11.3769 11.3802 11.3802 13.2775 13.2775 k = 0.3333 0.5774 0.2633 ( 3534 PWs) bands (ev): 1.0488 1.0488 1.1444 1.1444 6.4246 6.4246 6.4290 6.4290 6.9527 6.9527 7.0559 7.0559 7.5350 7.5350 7.5410 7.5410 9.7131 9.7131 9.7216 9.7216 9.9845 9.9845 9.9897 9.9897 9.9922 9.9922 10.1001 10.1001 10.4362 10.4362 10.5263 10.5263 10.9002 10.9002 10.9205 10.9205 11.3108 11.3108 11.3325 11.3325 11.3769 11.3769 11.3802 11.3802 13.2775 13.2775 k = 0.3274 0.5670 0.2633 ( 3526 PWs) bands (ev): 1.0480 1.0480 1.1435 1.1435 6.4196 6.4196 6.4231 6.4231 6.9508 6.9508 7.0510 7.0510 7.5446 7.5446 7.5527 7.5527 9.7109 9.7109 9.7191 9.7191 9.9842 9.9842 9.9848 9.9848 9.9998 9.9998 10.1030 10.1030 10.4365 10.4365 10.5266 10.5266 10.8978 10.8978 10.9180 10.9180 11.3120 11.3120 11.3341 11.3341 11.3785 11.3785 11.3815 11.3815 13.2760 13.2760 k = 0.3214 0.5567 0.2633 ( 3530 PWs) bands (ev): 1.0456 1.0456 1.1405 1.1405 6.4048 6.4048 6.4058 6.4058 6.9456 6.9456 7.0378 7.0378 7.5721 7.5721 7.5855 7.5855 9.7046 9.7046 9.7117 9.7117 9.9806 9.9806 9.9832 9.9832 10.0121 10.0121 10.1114 10.1114 10.4373 10.4373 10.5276 10.5276 10.8906 10.8906 10.9102 10.9102 11.3151 11.3151 11.3381 11.3381 11.3833 11.3833 11.3859 11.3859 13.2722 13.2722 k = 0.3155 0.5464 0.2633 ( 3536 PWs) bands (ev): 1.0414 1.0414 1.1356 1.1356 6.3783 6.3783 6.3808 6.3808 6.9386 6.9386 7.0202 7.0202 7.6147 7.6147 7.6348 7.6348 9.6945 9.6945 9.7003 9.7003 9.9771 9.9771 9.9814 9.9814 10.0280 10.0280 10.1249 10.1249 10.4389 10.4389 10.5293 10.5293 10.8788 10.8788 10.8974 10.8974 11.3192 11.3192 11.3425 11.3425 11.3921 11.3921 11.3952 11.3952 13.2671 13.2671 k = 0.3095 0.5361 0.2633 ( 3532 PWs) bands (ev): 1.0354 1.0354 1.1285 1.1285 6.3423 6.3423 6.3488 6.3488 6.9310 6.9310 7.0014 7.0014 7.6690 7.6690 7.6959 7.6959 9.6815 9.6815 9.6859 9.6859 9.9736 9.9736 9.9789 9.9789 10.0469 10.0469 10.1425 10.1425 10.4412 10.4412 10.5316 10.5316 10.8633 10.8633 10.8803 10.8803 11.3232 11.3232 11.3453 11.3453 11.4055 11.4055 11.4108 11.4108 13.2615 13.2615 k = 0.3036 0.5258 0.2633 ( 3536 PWs) bands (ev): 1.0274 1.0274 1.1192 1.1192 6.2999 6.2999 6.3101 6.3101 6.9237 6.9237 6.9836 6.9836 7.7316 7.7316 7.7647 7.7647 9.6664 9.6664 9.6697 9.6697 9.9697 9.9697 9.9755 9.9755 10.0677 10.0677 10.1631 10.1631 10.4443 10.4443 10.5344 10.5344 10.8449 10.8449 10.8596 10.8596 11.3264 11.3264 11.3460 11.3460 11.4237 11.4237 11.4327 11.4327 13.2565 13.2565 k = 0.2976 0.5155 0.2633 ( 3540 PWs) bands (ev): 1.0175 1.0175 1.1076 1.1076 6.2531 6.2531 6.2664 6.2664 6.9170 6.9170 6.9676 6.9676 7.7997 7.7997 7.8382 7.8382 9.6500 9.6500 9.6526 9.6526 9.9652 9.9652 9.9711 9.9711 10.0894 10.0894 10.1852 10.1852 10.4481 10.4481 10.5374 10.5374 10.8248 10.8248 10.8363 10.8363 11.3288 11.3288 11.3452 11.3452 11.4467 11.4467 11.4602 11.4602 13.2529 13.2529 k = 0.2917 0.5052 0.2633 ( 3536 PWs) bands (ev): 1.0056 1.0056 1.0938 1.0938 6.2035 6.2035 6.2193 6.2193 6.9109 6.9109 6.9536 6.9536 7.8708 7.8708 7.9141 7.9141 9.6332 9.6332 9.6353 9.6353 9.9599 9.9599 9.9658 9.9658 10.1110 10.1110 10.2080 10.2080 10.4525 10.4525 10.5405 10.5405 10.8041 10.8041 10.8114 10.8114 11.3303 11.3303 11.3436 11.3436 11.4743 11.4743 11.4924 11.4924 13.2517 13.2517 k = 0.2857 0.4949 0.2633 ( 3540 PWs) bands (ev): 0.9916 0.9916 1.0776 1.0776 6.1527 6.1527 6.1702 6.1702 6.9053 6.9053 6.9414 6.9414 7.9427 7.9427 7.9902 7.9902 9.6163 9.6163 9.6184 9.6184 9.9537 9.9537 9.9592 9.9592 10.1316 10.1316 10.2301 10.2301 10.4573 10.4573 10.5428 10.5428 10.7845 10.7845 10.7862 10.7862 11.3311 11.3311 11.3415 11.3415 11.5065 11.5065 11.5290 11.5290 13.2537 13.2537 k = 0.2798 0.4846 0.2633 ( 3542 PWs) bands (ev): 0.9754 0.9754 1.0591 1.0591 6.1018 6.1018 6.1204 6.1204 6.9001 6.9001 6.9307 6.9307 8.0136 8.0136 8.0648 8.0648 9.6000 9.6000 9.6023 9.6023 9.9465 9.9465 9.9514 9.9514 10.1503 10.1503 10.2507 10.2507 10.4622 10.4622 10.5437 10.5437 10.7623 10.7623 10.7675 10.7675 11.3313 11.3313 11.3394 11.3394 11.5432 11.5432 11.5698 11.5698 13.2595 13.2595 k = 0.2738 0.4743 0.2633 ( 3542 PWs) bands (ev): 0.9571 0.9571 1.0382 1.0382 6.0518 6.0518 6.0708 6.0708 6.8952 6.8952 6.9211 6.9211 8.0817 8.0817 8.1362 8.1362 9.5846 9.5846 9.5874 9.5874 9.9383 9.9383 9.9423 9.9423 10.1666 10.1666 10.2689 10.2689 10.4665 10.4665 10.5422 10.5422 10.7414 10.7414 10.7550 10.7550 11.3311 11.3311 11.3376 11.3376 11.5845 11.5845 11.6146 11.6146 13.2700 13.2700 k = 0.2679 0.4639 0.2633 ( 3550 PWs) bands (ev): 0.9365 0.9365 1.0149 1.0149 6.0034 6.0034 6.0223 6.0223 6.8903 6.8903 6.9125 6.9125 8.1452 8.1452 8.2026 8.2026 9.5703 9.5703 9.5738 9.5738 9.9290 9.9290 9.9318 9.9318 10.1801 10.1801 10.2842 10.2842 10.4694 10.4694 10.5376 10.5376 10.7254 10.7254 10.7483 10.7483 11.3307 11.3307 11.3367 11.3367 11.6303 11.6303 11.6631 11.6631 13.2855 13.2855 k = 0.2619 0.4536 0.2633 ( 3552 PWs) bands (ev): 0.9138 0.9138 0.9892 0.9892 5.9573 5.9573 5.9756 5.9756 6.8855 6.8855 6.9046 6.9046 8.2025 8.2025 8.2625 8.2625 9.5574 9.5574 9.5618 9.5618 9.9186 9.9186 9.9200 9.9200 10.1907 10.1907 10.2961 10.2961 10.4702 10.4702 10.5298 10.5298 10.7161 10.7161 10.7479 10.7479 11.3306 11.3306 11.3371 11.3371 11.6802 11.6802 11.7152 11.7152 13.3069 13.3069 k = 0.2560 0.4433 0.2633 ( 3552 PWs) bands (ev): 0.8889 0.8889 0.9613 0.9613 5.9138 5.9138 5.9313 5.9313 6.8807 6.8807 6.8971 6.8971 8.2521 8.2521 8.3144 8.3144 9.5460 9.5460 9.5515 9.5515 9.9069 9.9069 9.9074 9.9074 10.1987 10.1987 10.3046 10.3046 10.4683 10.4683 10.5196 10.5196 10.7145 10.7145 10.7534 10.7534 11.3314 11.3314 11.3398 11.3398 11.7339 11.7339 11.7703 11.7703 13.3346 13.3346 k = 0.2500 0.4330 0.2633 ( 3540 PWs) bands (ev): 0.8619 0.8619 0.9310 0.9310 5.8733 5.8733 5.8896 5.8896 6.8759 6.8759 6.8900 6.8900 8.2926 8.2926 8.3568 8.3568 9.5363 9.5363 9.5430 9.5430 9.8929 9.8929 9.8953 9.8953 10.2043 10.2043 10.3100 10.3100 10.4640 10.4640 10.5078 10.5078 10.7205 10.7205 10.7634 10.7634 11.3341 11.3341 11.3457 11.3457 11.7908 11.7908 11.8279 11.8279 13.3693 13.3693 k = 0.2440 0.4227 0.2633 ( 3540 PWs) bands (ev): 0.8326 0.8326 0.8984 0.8984 5.8361 5.8361 5.8511 5.8511 6.8710 6.8710 6.8832 6.8832 8.3229 8.3229 8.3885 8.3885 9.5282 9.5282 9.5364 9.5364 9.8783 9.8783 9.8827 9.8827 10.2082 10.2082 10.3128 10.3128 10.4577 10.4577 10.4954 10.4954 10.7327 10.7327 10.7763 10.7763 11.3397 11.3397 11.3558 11.3558 11.8501 11.8501 11.8873 11.8873 13.4114 13.4114 k = 0.2381 0.4124 0.2633 ( 3556 PWs) bands (ev): 0.8013 0.8013 0.8638 0.8638 5.8025 5.8025 5.8159 5.8159 6.8659 6.8659 6.8765 6.8765 8.3421 8.3421 8.4086 8.4086 9.5219 9.5219 9.5317 9.5317 9.8634 9.8634 9.8697 9.8697 10.2109 10.2109 10.3138 10.3138 10.4500 10.4500 10.4828 10.4828 10.7493 10.7493 10.7904 10.7904 11.3496 11.3496 11.3714 11.3714 11.9107 11.9107 11.9475 11.9475 13.4614 13.4614 k = 0.2321 0.4021 0.2633 ( 3556 PWs) bands (ev): 0.7679 0.7679 0.8270 0.8270 5.7725 5.7725 5.7843 5.7843 6.8608 6.8608 6.8700 6.8700 8.3497 8.3497 8.4167 8.4167 9.5172 9.5172 9.5288 9.5288 9.8488 9.8488 9.8569 9.8569 10.2130 10.2130 10.3140 10.3140 10.4415 10.4415 10.4704 10.4704 10.7681 10.7681 10.8042 10.8042 11.3654 11.3654 11.3940 11.3940 11.9718 11.9718 12.0077 12.0077 13.5196 13.5196 k = 0.2262 0.3918 0.2633 ( 3552 PWs) bands (ev): 0.7326 0.7326 0.7882 0.7882 5.7463 5.7463 5.7564 5.7564 6.8556 6.8556 6.8635 6.8635 8.3458 8.3458 8.4126 8.4126 9.5141 9.5141 9.5276 9.5276 9.8349 9.8349 9.8444 9.8444 10.2151 10.2151 10.3139 10.3139 10.4323 10.4323 10.4583 10.4583 10.7866 10.7866 10.8163 10.8163 11.3888 11.3888 11.4246 11.4246 12.0323 12.0323 12.0669 12.0669 13.5863 13.5863 k = 0.2202 0.3815 0.2633 ( 3556 PWs) bands (ev): 0.6954 0.6954 0.7476 0.7476 5.7239 5.7239 5.7323 5.7323 6.8502 6.8502 6.8571 6.8571 8.3308 8.3308 8.3968 8.3968 9.5126 9.5126 9.5281 9.5281 9.8219 9.8219 9.8323 9.8323 10.2173 10.2173 10.3140 10.3140 10.4226 10.4226 10.4465 10.4465 10.8030 10.8030 10.8255 10.8255 11.4211 11.4211 11.4638 11.4638 12.0914 12.0914 12.1244 12.1244 13.6613 13.6613 k = 0.2143 0.3712 0.2633 ( 3548 PWs) bands (ev): 0.6565 0.6565 0.7053 0.7053 5.7054 5.7054 5.7120 5.7120 6.8448 6.8448 6.8507 6.8507 8.3053 8.3053 8.3701 8.3701 9.5125 9.5125 9.5300 9.5300 9.8099 9.8099 9.8208 9.8208 10.2199 10.2199 10.3147 10.3147 10.4126 10.4126 10.4351 10.4351 10.8157 10.8157 10.8315 10.8315 11.4633 11.4633 11.5121 11.5121 12.1482 12.1482 12.1795 12.1795 13.7440 13.7440 k = 0.2083 0.3608 0.2633 ( 3544 PWs) bands (ev): 0.6159 0.6159 0.6614 0.6614 5.6908 5.6908 5.6957 5.6957 6.8392 6.8392 6.8443 6.8443 8.2704 8.2704 8.3335 8.3335 9.5137 9.5137 9.5333 9.5333 9.7988 9.7988 9.8096 9.8096 10.2226 10.2226 10.3157 10.3157 10.4025 10.4025 10.4243 10.4243 10.8239 10.8239 10.8339 10.8339 11.5156 11.5156 11.5691 11.5691 12.2022 12.2022 12.2318 12.2318 13.8333 13.8333 k = 0.2024 0.3505 0.2633 ( 3554 PWs) bands (ev): 0.5739 0.5739 0.6160 0.6160 5.6800 5.6800 5.6832 5.6832 6.8335 6.8335 6.8380 6.8380 8.2272 8.2272 8.2883 8.2883 9.5161 9.5161 9.5376 9.5376 9.7886 9.7886 9.7989 9.7989 10.2255 10.2255 10.3169 10.3169 10.3927 10.3927 10.4141 10.4141 10.8274 10.8274 10.8330 10.8330 11.5774 11.5774 11.6339 11.6339 12.2532 12.2532 12.2810 12.2810 13.9277 13.9277 k = 0.1964 0.3402 0.2633 ( 3558 PWs) bands (ev): 0.5304 0.5304 0.5694 0.5694 5.6730 5.6730 5.6746 5.6746 6.8278 6.8278 6.8316 6.8316 8.1771 8.1771 8.2357 8.2357 9.5195 9.5195 9.5430 9.5430 9.7791 9.7791 9.7883 9.7883 10.2283 10.2283 10.3177 10.3177 10.3839 10.3839 10.4049 10.4049 10.8267 10.8267 10.8291 10.8291 11.6477 11.6477 11.7058 11.7058 12.3009 12.3009 12.3272 12.3272 14.0245 14.0245 k = 0.1905 0.3299 0.2633 ( 3554 PWs) bands (ev): 0.4858 0.4858 0.5216 0.5216 5.6698 5.6698 5.6698 5.6698 6.8219 6.8219 6.8251 6.8251 8.1210 8.1210 8.1771 8.1771 9.5238 9.5238 9.5492 9.5492 9.7701 9.7701 9.7779 9.7779 10.2309 10.2309 10.3173 10.3173 10.3771 10.3771 10.3969 10.3969 10.8223 10.8223 10.8228 10.8228 11.7252 11.7252 11.7835 11.7835 12.3455 12.3455 12.3705 12.3705 14.1208 14.1208 k = 0.1845 0.3196 0.2633 ( 3554 PWs) bands (ev): 0.4401 0.4402 0.4730 0.4730 5.6687 5.6687 5.6702 5.6702 6.8160 6.8160 6.8187 6.8187 8.0603 8.0603 8.1137 8.1137 9.5289 9.5289 9.5562 9.5562 9.7615 9.7615 9.7675 9.7675 10.2331 10.2331 10.3150 10.3150 10.3732 10.3732 10.3902 10.3902 10.8144 10.8144 10.8149 10.8149 11.8085 11.8085 11.8658 11.8658 12.3873 12.3873 12.4112 12.4112 14.2125 14.2125 k = 0.1786 0.3093 0.2633 ( 3554 PWs) bands (ev): 0.3936 0.3936 0.4236 0.4236 5.6712 5.6712 5.6741 5.6741 6.8099 6.8099 6.8122 6.8122 7.9958 7.9958 8.0466 8.0466 9.5346 9.5346 9.5636 9.5636 9.7530 9.7530 9.7571 9.7571 10.2350 10.2350 10.3103 10.3103 10.3726 10.3726 10.3849 10.3849 10.8045 10.8045 10.8052 10.8052 11.8961 11.8961 11.9515 11.9515 12.4265 12.4265 12.4500 12.4500 14.2956 14.2956 k = 0.1726 0.2990 0.2633 ( 3556 PWs) bands (ev): 0.3464 0.3464 0.3736 0.3737 5.6772 5.6772 5.6813 5.6813 6.8038 6.8038 6.8057 6.8057 7.9287 7.9287 7.9767 7.9767 9.5407 9.5407 9.5713 9.5713 9.7448 9.7448 9.7465 9.7465 10.2366 10.2366 10.3039 10.3039 10.3749 10.3749 10.3811 10.3811 10.7934 10.7934 10.7936 10.7936 11.9868 11.9868 12.0392 12.0392 12.4637 12.4637 12.4875 12.4875 14.3664 14.3664 k = 0.1667 0.2887 0.2633 ( 3548 PWs) bands (ev): 0.2987 0.2987 0.3233 0.3233 5.6866 5.6866 5.6918 5.6918 6.7976 6.7976 6.7991 6.7991 7.8596 7.8596 7.9049 7.9049 9.5470 9.5470 9.5792 9.5792 9.7359 9.7359 9.7366 9.7366 10.2382 10.2382 10.2969 10.2969 10.3786 10.3786 10.3792 10.3792 10.7806 10.7806 10.7815 10.7815 12.0791 12.0791 12.1275 12.1275 12.4996 12.4996 12.5246 12.5246 14.4225 14.4225 k = 0.1607 0.2784 0.2633 ( 3544 PWs) bands (ev): 0.2507 0.2507 0.2729 0.2729 5.6991 5.6991 5.7054 5.7054 6.7913 6.7913 6.7925 6.7925 7.7893 7.7893 7.8320 7.8320 9.5533 9.5533 9.5870 9.5870 9.7252 9.7252 9.7286 9.7286 10.2398 10.2398 10.2898 10.2898 10.3773 10.3773 10.3847 10.3847 10.7668 10.7668 10.7690 10.7690 12.1717 12.1717 12.2147 12.2147 12.5350 12.5350 12.5624 12.5624 14.4637 14.4637 k = 0.1548 0.2681 0.2633 ( 3534 PWs) bands (ev): 0.2025 0.2025 0.2224 0.2224 5.7147 5.7147 5.7218 5.7218 6.7850 6.7850 6.7858 6.7858 7.7185 7.7185 7.7586 7.7586 9.5595 9.5595 9.5944 9.5944 9.7146 9.7146 9.7207 9.7207 10.2420 10.2420 10.2834 10.2834 10.3768 10.3768 10.3911 10.3911 10.7523 10.7523 10.7563 10.7563 12.2627 12.2627 12.2988 12.2988 12.5711 12.5711 12.6027 12.6027 14.4909 14.4909 k = 0.1488 0.2577 0.2633 ( 3530 PWs) bands (ev): 0.1545 0.1545 0.1722 0.1722 5.7330 5.7330 5.7410 5.7410 6.7785 6.7785 6.7791 6.7791 7.6477 7.6477 7.6853 7.6853 9.5653 9.5653 9.6013 9.6013 9.7042 9.7042 9.7129 9.7129 10.2448 10.2448 10.2778 10.2778 10.3770 10.3770 10.3981 10.3981 10.7375 10.7375 10.7436 10.7436 12.3500 12.3500 12.3770 12.3770 12.6097 12.6097 12.6476 12.6476 14.5059 14.5059 k = 0.1429 0.2474 0.2633 ( 3526 PWs) bands (ev): 0.1066 0.1066 0.1223 0.1223 5.7541 5.7541 5.7626 5.7626 6.7720 6.7720 6.7723 6.7723 7.5774 7.5774 7.6126 7.6126 9.5704 9.5704 9.6073 9.6073 9.6940 9.6940 9.7055 9.7055 10.2485 10.2485 10.2733 10.2733 10.3776 10.3776 10.4054 10.4054 10.7227 10.7227 10.7311 10.7311 12.4304 12.4304 12.4466 12.4466 12.6537 12.6537 12.6996 12.6996 14.5108 14.5108 k = 0.1369 0.2371 0.2633 ( 3530 PWs) bands (ev): 0.0592 0.0592 0.0730 0.0730 5.7775 5.7775 5.7866 5.7866 6.7654 6.7654 6.7655 6.7655 7.5080 7.5080 7.5408 7.5408 9.5748 9.5748 9.6121 9.6121 9.6844 9.6844 9.6983 9.6983 10.2530 10.2530 10.2698 10.2698 10.3785 10.3785 10.4130 10.4130 10.7082 10.7082 10.7192 10.7192 12.5000 12.5000 12.5056 12.5056 12.7062 12.7062 12.7601 12.7601 14.5072 14.5072 k = 0.1310 0.2268 0.2633 ( 3538 PWs) bands (ev): 0.0124 0.0124 0.0245 0.0245 5.8032 5.8032 5.8126 5.8126 6.7586 6.7586 6.7588 6.7588 7.4399 7.4399 7.4704 7.4704 9.5783 9.5783 9.6155 9.6155 9.6757 9.6757 9.6915 9.6915 10.2581 10.2581 10.2672 10.2672 10.3797 10.3797 10.4207 10.4207 10.6943 10.6943 10.7079 10.7079 12.5547 12.5547 12.5569 12.5569 12.7691 12.7691 12.8283 12.8283 14.4967 14.4967 k = 0.1250 0.2165 0.2633 ( 3540 PWs) bands (ev): -0.0337 -0.0337 -0.0231 -0.0231 5.8308 5.8308 5.8405 5.8405 6.7517 6.7517 6.7521 6.7521 7.3734 7.3734 7.4017 7.4017 9.5808 9.5808 9.6172 9.6172 9.6681 9.6681 9.6851 9.6851 10.2634 10.2634 10.2653 10.2653 10.3815 10.3815 10.4288 10.4288 10.6813 10.6813 10.6977 10.6977 12.5959 12.5959 12.6025 12.6025 12.8404 12.8404 12.9016 12.9016 14.4802 14.4802 k = 0.1190 0.2062 0.2633 ( 3544 PWs) bands (ev): -0.0788 -0.0788 -0.0697 -0.0697 5.8601 5.8601 5.8699 5.8699 6.7448 6.7448 6.7454 6.7454 7.3087 7.3087 7.3350 7.3350 9.5822 9.5822 9.6166 9.6166 9.6622 9.6622 9.6792 9.6792 10.2635 10.2635 10.2680 10.2680 10.3845 10.3845 10.4372 10.4372 10.6695 10.6695 10.6885 10.6885 12.6320 12.6320 12.6406 12.6406 12.9163 12.9163 12.9770 12.9770 14.4589 14.4589 k = 0.1131 0.1959 0.2633 ( 3544 PWs) bands (ev): -0.1228 -0.1228 -0.1149 -0.1149 5.8910 5.8910 5.9008 5.9008 6.7379 6.7379 6.7386 6.7386 7.2461 7.2461 7.2704 7.2704 9.5827 9.5827 9.6140 9.6140 9.6579 9.6579 9.6738 9.6738 10.2616 10.2616 10.2711 10.2711 10.3895 10.3895 10.4461 10.4461 10.6591 10.6591 10.6806 10.6806 12.6649 12.6649 12.6742 12.6742 12.9932 12.9932 13.0521 13.0521 14.4333 14.4333 k = 0.1071 0.1856 0.2633 ( 3548 PWs) bands (ev): -0.1655 -0.1655 -0.1588 -0.1588 5.9231 5.9231 5.9327 5.9327 6.7310 6.7310 6.7319 6.7319 7.1859 7.1859 7.2082 7.2082 9.5823 9.5823 9.6096 9.6096 9.6549 9.6549 9.6688 9.6688 10.2588 10.2588 10.2715 10.2715 10.3971 10.3971 10.4557 10.4557 10.6504 10.6504 10.6741 10.6741 12.6960 12.6960 12.7054 12.7054 13.0688 13.0688 13.1255 13.1255 14.4040 14.4040 k = 0.1012 0.1753 0.2633 ( 3540 PWs) bands (ev): -0.2068 -0.2068 -0.2012 -0.2012 5.9561 5.9561 5.9655 5.9655 6.7240 6.7240 6.7251 6.7251 7.1282 7.1282 7.1486 7.1486 9.5812 9.5812 9.6042 9.6042 9.6528 9.6528 9.6643 9.6643 10.2548 10.2548 10.2687 10.2687 10.4079 10.4079 10.4664 10.4664 10.6434 10.6434 10.6688 10.6688 12.7262 12.7262 12.7355 12.7355 13.1417 13.1417 13.1959 13.1959 14.3716 14.3716 k = 0.0952 0.1650 0.2633 ( 3540 PWs) bands (ev): -0.2465 -0.2465 -0.2418 -0.2418 5.9898 5.9898 5.9988 5.9988 6.7171 6.7171 6.7183 6.7183 7.0732 7.0732 7.0918 7.0918 9.5795 9.5795 9.5984 9.5984 9.6510 9.6510 9.6600 9.6600 10.2491 10.2491 10.2626 10.2626 10.4218 10.4218 10.4780 10.4780 10.6383 10.6383 10.6649 10.6649 12.7562 12.7562 12.7653 12.7653 13.2109 13.2109 13.2624 13.2624 14.3363 14.3363 k = 0.0893 0.1546 0.2633 ( 3528 PWs) bands (ev): -0.2845 -0.2845 -0.2807 -0.2807 6.0239 6.0239 6.0325 6.0325 6.7102 6.7102 6.7115 6.7115 7.0210 7.0210 7.0378 7.0378 9.5775 9.5775 9.5926 9.5926 9.6493 9.6493 9.6562 9.6562 10.2416 10.2416 10.2535 10.2535 10.4381 10.4381 10.4909 10.4909 10.6349 10.6349 10.6621 10.6621 12.7864 12.7864 12.7951 12.7951 13.2760 13.2760 13.3247 13.3247 14.2985 14.2985 k = 0.0833 0.1443 0.2633 ( 3528 PWs) bands (ev): -0.3207 -0.3207 -0.3176 -0.3176 6.0580 6.0580 6.0661 6.0661 6.7033 6.7033 6.7047 6.7047 6.9717 6.9717 6.9869 6.9869 9.5751 9.5751 9.5870 9.5870 9.6474 9.6474 9.6525 9.6525 10.2321 10.2321 10.2421 10.2421 10.4564 10.4564 10.5049 10.5049 10.6332 10.6332 10.6604 10.6604 12.8171 12.8171 12.8253 12.8253 13.3365 13.3365 13.3822 13.3822 14.2585 14.2585 k = 0.0774 0.1340 0.2633 ( 3528 PWs) bands (ev): -0.3549 -0.3549 -0.3524 -0.3524 6.0920 6.0920 6.0995 6.0995 6.6965 6.6965 6.6979 6.6979 6.9256 6.9256 6.9391 6.9391 9.5727 9.5727 9.5819 9.5819 9.6455 9.6455 9.6491 9.6491 10.2209 10.2209 10.2289 10.2289 10.4759 10.4759 10.5197 10.5197 10.6328 10.6328 10.6595 10.6595 12.8485 12.8485 12.8563 12.8563 13.3921 13.3921 13.4349 13.4349 14.2165 14.2165 k = 0.0714 0.1237 0.2633 ( 3532 PWs) bands (ev): -0.3871 -0.3871 -0.3851 -0.3851 6.1255 6.1255 6.1323 6.1323 6.6897 6.6897 6.6912 6.6912 6.8826 6.8826 6.8945 6.8945 9.5702 9.5702 9.5771 9.5771 9.6435 9.6435 9.6460 9.6460 10.2082 10.2082 10.2144 10.2144 10.4961 10.4961 10.5352 10.5352 10.6336 10.6336 10.6593 10.6593 12.8809 12.8809 12.8881 12.8881 13.4429 13.4429 13.4825 13.4825 14.1728 14.1728 k = 0.0655 0.1134 0.2633 ( 3524 PWs) bands (ev): -0.4171 -0.4171 -0.4155 -0.4155 6.1582 6.1582 6.1643 6.1643 6.6830 6.6830 6.6845 6.6845 6.8428 6.8428 6.8532 6.8532 9.5679 9.5679 9.5729 9.5729 9.6416 9.6416 9.6431 9.6431 10.1946 10.1946 10.1991 10.1991 10.5165 10.5165 10.5510 10.5510 10.6354 10.6354 10.6596 10.6596 12.9143 12.9143 12.9209 12.9209 13.4887 13.4887 13.5252 13.5252 14.1276 14.1276 k = 0.0595 0.1031 0.2633 ( 3520 PWs) bands (ev): -0.4448 -0.4448 -0.4436 -0.4436 6.1898 6.1898 6.1950 6.1950 6.6764 6.6764 6.6778 6.6778 6.8064 6.8064 6.8153 6.8153 9.5657 9.5657 9.5693 9.5693 9.6397 9.6397 9.6406 9.6406 10.1802 10.1802 10.1835 10.1835 10.5366 10.5366 10.5667 10.5667 10.6379 10.6379 10.6604 10.6604 12.9487 12.9487 12.9546 12.9546 13.5297 13.5297 13.5630 13.5630 14.0813 14.0813 k = 0.0536 0.0928 0.2633 ( 3512 PWs) bands (ev): -0.4701 -0.4701 -0.4693 -0.4693 6.2199 6.2199 6.2243 6.2243 6.6699 6.6699 6.6713 6.6713 6.7735 6.7735 6.7808 6.7808 9.5636 9.5636 9.5661 9.5661 9.6379 9.6379 9.6384 9.6384 10.1656 10.1656 10.1679 10.1679 10.5561 10.5561 10.5818 10.5818 10.6411 10.6411 10.6614 10.6614 12.9840 12.9840 12.9893 12.9893 13.5661 13.5661 13.5961 13.5961 14.0342 14.0342 k = 0.0476 0.0825 0.2633 ( 3514 PWs) bands (ev): -0.4930 -0.4930 -0.4924 -0.4924 6.2483 6.2483 6.2519 6.2519 6.6635 6.6635 6.6648 6.6648 6.7440 6.7440 6.7499 6.7499 9.5617 9.5617 9.5633 9.5633 9.6363 9.6363 9.6365 9.6365 10.1513 10.1513 10.1528 10.1528 10.5744 10.5744 10.5961 10.5961 10.6447 10.6447 10.6625 10.6625 13.0202 13.0202 13.0247 13.0247 13.5980 13.5980 13.6247 13.6247 13.9867 13.9867 k = 0.0417 0.0722 0.2633 ( 3514 PWs) bands (ev): -0.5134 -0.5134 -0.5130 -0.5130 6.2745 6.2745 6.2773 6.2773 6.6573 6.6573 6.6585 6.6585 6.7180 6.7180 6.7226 6.7226 9.5600 9.5600 9.5610 9.5610 9.6349 9.6349 9.6350 9.6350 10.1375 10.1375 10.1384 10.1384 10.5913 10.5913 10.6089 10.6089 10.6488 10.6488 10.6638 10.6638 13.0569 13.0569 13.0606 13.0606 13.6256 13.6256 13.6489 13.6489 13.9395 13.9395 k = 0.0357 0.0619 0.2633 ( 3510 PWs) bands (ev): -0.5312 -0.5312 -0.5310 -0.5310 6.2983 6.2983 6.3003 6.3003 6.6514 6.6514 6.6523 6.6523 6.6956 6.6956 6.6990 6.6990 9.5585 9.5585 9.5591 9.5591 9.6338 9.6338 9.6338 9.6338 10.1246 10.1246 10.1252 10.1252 10.6065 10.6065 10.6199 10.6199 10.6534 10.6534 10.6652 10.6652 13.0937 13.0937 13.0966 13.0966 13.6491 13.6491 13.6691 13.6691 13.8932 13.8932 k = 0.0298 0.0515 0.2633 ( 3498 PWs) bands (ev): -0.5464 -0.5464 -0.5462 -0.5462 6.3193 6.3193 6.3207 6.3207 6.6457 6.6457 6.6464 6.6464 6.6769 6.6769 6.6792 6.6792 9.5573 9.5573 9.5576 9.5576 9.6329 9.6329 9.6330 9.6330 10.1131 10.1131 10.1134 10.1134 10.6196 10.6196 10.6289 10.6289 10.6583 10.6583 10.6667 10.6667 13.1298 13.1298 13.1318 13.1318 13.6688 13.6688 13.6854 13.6854 13.8490 13.8490 k = 0.0238 0.0412 0.2633 ( 3490 PWs) bands (ev): -0.5589 -0.5589 -0.5588 -0.5588 6.3372 6.3372 6.3380 6.3380 6.6404 6.6404 6.6408 6.6408 6.6619 6.6619 6.6633 6.6633 9.5562 9.5562 9.5564 9.5564 9.6323 9.6323 9.6324 9.6324 10.1032 10.1032 10.1033 10.1033 10.6303 10.6303 10.6358 10.6358 10.6632 10.6632 10.6683 10.6683 13.1640 13.1640 13.1653 13.1653 13.6848 13.6848 13.6979 13.6979 13.8083 13.8083 k = 0.0179 0.0309 0.2633 ( 3498 PWs) bands (ev): -0.5686 -0.5686 -0.5686 -0.5686 6.3515 6.3515 6.3519 6.3519 6.6355 6.6355 6.6357 6.6357 6.6508 6.6508 6.6514 6.6514 9.5553 9.5553 9.5554 9.5554 9.6319 9.6319 9.6319 9.6319 10.0952 10.0952 10.0952 10.0952 10.6381 10.6381 10.6407 10.6407 10.6677 10.6677 10.6701 10.6701 13.1948 13.1948 13.1955 13.1955 13.6971 13.6971 13.7066 13.7066 13.7730 13.7730 k = 0.0119 0.0206 0.2633 ( 3500 PWs) bands (ev): -0.5756 -0.5756 -0.5756 -0.5756 6.3620 6.3620 6.3621 6.3621 6.6312 6.6312 6.6312 6.6312 6.6434 6.6434 6.6435 6.6435 9.5547 9.5547 9.5547 9.5547 9.6316 9.6316 9.6316 9.6316 10.0892 10.0892 10.0893 10.0893 10.6433 10.6433 10.6442 10.6442 10.6712 10.6712 10.6720 10.6720 13.2199 13.2199 13.2201 13.2201 13.7055 13.7055 13.7110 13.7110 13.7463 13.7463 k = 0.0060 0.0103 0.2633 ( 3504 PWs) bands (ev): -0.5798 -0.5798 -0.5798 -0.5798 6.3684 6.3684 6.3684 6.3684 6.6280 6.6280 6.6280 6.6280 6.6393 6.6393 6.6393 6.6393 9.5543 9.5543 9.5543 9.5543 9.6315 9.6315 9.6315 9.6315 10.0856 10.0856 10.0856 10.0856 10.6461 10.6461 10.6462 10.6462 10.6734 10.6734 10.6734 10.6734 13.2366 13.2366 13.2366 13.2366 13.7088 13.7088 13.7101 13.7101 13.7321 13.7321 k = 0.0000 0.0000 0.2633 ( 3510 PWs) bands (ev): -0.5812 -0.5812 -0.5812 -0.5812 6.3706 6.3706 6.3706 6.3706 6.6269 6.6269 6.6269 6.6269 6.6380 6.6380 6.6380 6.6380 9.5542 9.5542 9.5542 9.5542 9.6314 9.6314 9.6314 9.6314 10.0844 10.0844 10.0844 10.0844 10.6469 10.6469 10.6469 10.6469 10.6740 10.6740 10.6740 10.6740 13.2424 13.2424 13.2424 13.2424 13.7081 13.7081 13.7081 13.7081 13.7287 13.7287 k = 0.5000 0.2887 0.2633 ( 3540 PWs) bands (ev): 0.8788 0.8788 0.8788 0.8788 5.6093 5.6093 5.6093 5.6093 6.8535 6.8535 6.8535 6.8535 9.1552 9.1552 9.1552 9.1552 9.5970 9.5970 9.5970 9.5970 9.6887 9.6887 9.6887 9.6887 10.4616 10.4616 10.4616 10.4616 10.7017 10.7017 10.7017 10.7017 10.8452 10.8452 10.8452 10.8452 11.2625 11.2625 11.2625 11.2625 12.0872 12.0872 12.0872 12.0872 12.3993 12.3993 k = 0.5000 0.2887 0.2514 ( 3536 PWs) bands (ev): 0.8726 0.8726 0.8848 0.8848 5.5882 5.5882 5.6321 5.6321 6.8384 6.8384 6.8687 6.8687 9.1400 9.1400 9.1709 9.1709 9.5721 9.5721 9.6215 9.6215 9.6753 9.6753 9.7032 9.7032 10.4588 10.4588 10.4643 10.4643 10.6871 10.6871 10.7149 10.7149 10.8403 10.8403 10.8458 10.8458 11.2059 11.2059 11.3209 11.3209 12.0140 12.0140 12.1611 12.1611 12.3696 12.3696 k = 0.5000 0.2887 0.2394 ( 3536 PWs) bands (ev): 0.8663 0.8663 0.8905 0.8905 5.5688 5.5688 5.6566 5.6566 6.8235 6.8235 6.8837 6.8837 9.1253 9.1253 9.1868 9.1868 9.5470 9.5470 9.6444 9.6444 9.6641 9.6641 9.7186 9.7186 10.4557 10.4557 10.4669 10.4669 10.6716 10.6716 10.7258 10.7258 10.8329 10.8329 10.8404 10.8404 11.1535 11.1535 11.3790 11.3790 11.9418 11.9418 12.2355 12.2355 12.3431 12.3431 k = 0.5000 0.2887 0.2274 ( 3548 PWs) bands (ev): 0.8599 0.8599 0.8961 0.8961 5.5511 5.5511 5.6828 5.6828 6.8091 6.8091 6.8982 6.8982 9.1110 9.1110 9.2029 9.2029 9.5218 9.5218 9.6474 9.6474 9.6731 9.6731 9.7348 9.7348 10.4522 10.4522 10.4692 10.4692 10.6556 10.6556 10.7326 10.7326 10.8241 10.8241 10.8283 10.8283 11.1078 11.1078 11.4355 11.4355 11.8708 11.8708 12.3089 12.3089 12.3208 12.3208 k = 0.5000 0.2887 0.2154 ( 3534 PWs) bands (ev): 0.8535 0.8535 0.9014 0.9014 5.5350 5.5350 5.7107 5.7107 6.7954 6.7954 6.9121 6.9121 9.0972 9.0972 9.2193 9.2193 9.4967 9.4967 9.6370 9.6370 9.6960 9.6960 9.7518 9.7518 10.4483 10.4483 10.4716 10.4716 10.6395 10.6395 10.7327 10.7327 10.8048 10.8048 10.8209 10.8209 11.0708 11.0708 11.4891 11.4891 11.8014 11.8014 12.2976 12.2976 12.3855 12.3855 k = 0.5000 0.2887 0.2035 ( 3544 PWs) bands (ev): 0.8470 0.8470 0.9064 0.9064 5.5205 5.5205 5.7401 5.7401 6.7825 6.7825 6.9249 6.9249 9.0840 9.0840 9.2357 9.2357 9.4716 9.4716 9.6266 9.6266 9.7193 9.7193 9.7694 9.7694 10.4437 10.4437 10.4737 10.4737 10.6232 10.6232 10.7223 10.7223 10.7779 10.7779 10.8198 10.8198 11.0424 11.0424 11.5388 11.5388 11.7339 11.7339 12.2783 12.2783 12.4601 12.4601 k = 0.5000 0.2887 0.1915 ( 3552 PWs) bands (ev): 0.8406 0.8406 0.9111 0.9111 5.5075 5.5075 5.7711 5.7711 6.7704 6.7704 6.9365 6.9365 9.0713 9.0713 9.2522 9.2522 9.4468 9.4468 9.6166 9.6166 9.7422 9.7422 9.7877 9.7877 10.4382 10.4382 10.4758 10.4758 10.6072 10.6072 10.6989 10.6989 10.7511 10.7511 10.8231 10.8231 11.0209 11.0209 11.5830 11.5830 11.6695 11.6695 12.2608 12.2608 12.5343 12.5343 k = 0.5000 0.2887 0.1795 ( 3556 PWs) bands (ev): 0.8343 0.8343 0.9156 0.9156 5.4959 5.4959 5.8033 5.8033 6.7595 6.7595 6.9466 6.9466 9.0593 9.0593 9.2684 9.2684 9.4226 9.4226 9.6072 9.6072 9.7647 9.7647 9.8064 9.8064 10.4316 10.4316 10.4776 10.4776 10.5917 10.5917 10.6646 10.6646 10.7282 10.7282 10.8286 10.8286 11.0036 11.0036 11.5948 11.5948 11.6352 11.6352 12.2448 12.2448 12.6080 12.6080 k = 0.5000 0.2887 0.1676 ( 3548 PWs) bands (ev): 0.8281 0.8281 0.9197 0.9197 5.4855 5.4855 5.8367 5.8367 6.7495 6.7495 6.9550 6.9550 9.0480 9.0480 9.2843 9.2843 9.3992 9.3992 9.5984 9.5984 9.7866 9.7866 9.8256 9.8256 10.4236 10.4236 10.4793 10.4793 10.5770 10.5770 10.6260 10.6260 10.7077 10.7077 10.8346 10.8346 10.9884 10.9884 11.5392 11.5392 11.6664 11.6664 12.2301 12.2301 12.6810 12.6810 k = 0.5000 0.2887 0.1556 ( 3550 PWs) bands (ev): 0.8220 0.8220 0.9235 0.9235 5.4764 5.4764 5.8711 5.8711 6.7408 6.7408 6.9614 6.9614 9.0373 9.0373 9.2988 9.2988 9.3774 9.3774 9.5900 9.5900 9.8076 9.8076 9.8450 9.8450 10.4136 10.4136 10.4805 10.4805 10.5633 10.5633 10.5882 10.5882 10.6883 10.6883 10.8401 10.8401 10.9738 10.9738 11.4816 11.4816 11.6980 11.6980 12.2166 12.2166 12.7532 12.7532 k = 0.5000 0.2887 0.1436 ( 3546 PWs) bands (ev): 0.8162 0.8162 0.9270 0.9270 5.4684 5.4684 5.9062 5.9062 6.7331 6.7331 6.9657 6.9657 9.0273 9.0273 9.3095 9.3095 9.3599 9.3599 9.5821 9.5821 9.8274 9.8274 9.8647 9.8647 10.4016 10.4016 10.4811 10.4811 10.5504 10.5504 10.5545 10.5545 10.6699 10.6699 10.8443 10.8443 10.9588 10.9588 11.4268 11.4268 11.7261 11.7261 12.2042 12.2042 12.8244 12.8244 k = 0.5000 0.2887 0.1317 ( 3544 PWs) bands (ev): 0.8107 0.8107 0.9301 0.9301 5.4614 5.4614 5.9418 5.9418 6.7265 6.7265 6.9678 6.9678 9.0180 9.0180 9.3088 9.3088 9.3544 9.3544 9.5746 9.5746 9.8457 9.8457 9.8847 9.8847 10.3875 10.3875 10.4804 10.4804 10.5253 10.5253 10.5402 10.5402 10.6526 10.6526 10.8466 10.8466 10.9430 10.9430 11.3755 11.3755 11.7505 11.7505 12.1927 12.1927 12.8943 12.8943 k = 0.5000 0.2887 0.1197 ( 3540 PWs) bands (ev): 0.8054 0.8054 0.9330 0.9330 5.4554 5.4554 5.9774 5.9774 6.7210 6.7210 6.9678 6.9678 9.0095 9.0095 9.2952 9.2952 9.3624 9.3624 9.5674 9.5674 9.8618 9.8618 9.9049 9.9049 10.3722 10.3722 10.4769 10.4769 10.5041 10.5041 10.5311 10.5311 10.6367 10.6367 10.8466 10.8466 10.9263 10.9263 11.3285 11.3285 11.7715 11.7715 12.1821 12.1821 12.9625 12.9625 k = 0.5000 0.2887 0.1077 ( 3540 PWs) bands (ev): 0.8006 0.8006 0.9355 0.9355 5.4501 5.4501 6.0126 6.0126 6.7165 6.7165 6.9656 6.9656 9.0018 9.0018 9.2777 9.2777 9.3752 9.3752 9.5604 9.5604 9.8756 9.8756 9.9253 9.9253 10.3569 10.3569 10.4683 10.4683 10.4918 10.4918 10.5241 10.5241 10.6226 10.6226 10.8437 10.8437 10.9088 10.9088 11.2862 11.2862 11.7894 11.7894 12.1724 12.1724 13.0284 13.0284 k = 0.5000 0.2887 0.0958 ( 3542 PWs) bands (ev): 0.7961 0.7961 0.9378 0.9378 5.4457 5.4457 6.0470 6.0470 6.7128 6.7128 6.9615 6.9615 8.9948 8.9948 9.2600 9.2600 9.3889 9.3889 9.5537 9.5537 9.8867 9.8867 9.9455 9.9455 10.3429 10.3429 10.4567 10.4567 10.4852 10.4852 10.5192 10.5192 10.6104 10.6104 10.8376 10.8376 10.8909 10.8909 11.2493 11.2493 11.8046 11.8046 12.1636 12.1636 13.0914 13.0914 k = 0.5000 0.2887 0.0838 ( 3544 PWs) bands (ev): 0.7920 0.7920 0.9397 0.9397 5.4419 5.4419 6.0801 6.0801 6.7100 6.7100 6.9558 6.9558 8.9886 8.9886 9.2433 9.2433 9.4026 9.4026 9.5470 9.5470 9.8952 9.8952 9.9652 9.9652 10.3314 10.3314 10.4460 10.4460 10.4800 10.4800 10.5162 10.5162 10.6002 10.6002 10.8282 10.8282 10.8731 10.8731 11.2179 11.2179 11.8174 11.8174 12.1558 12.1558 13.1504 13.1504 k = 0.5000 0.2887 0.0718 ( 3542 PWs) bands (ev): 0.7885 0.7885 0.9414 0.9414 5.4388 5.4388 6.1112 6.1112 6.7078 6.7078 6.9488 6.9488 8.9832 8.9832 9.2281 9.2281 9.4159 9.4159 9.5404 9.5404 9.9013 9.9013 9.9839 9.9839 10.3227 10.3227 10.4374 10.4374 10.4748 10.4748 10.5147 10.5147 10.5920 10.5920 10.8160 10.8160 10.8557 10.8557 11.1922 11.1922 11.8280 11.8280 12.1488 12.1488 13.2046 13.2046 k = 0.5000 0.2887 0.0598 ( 3542 PWs) bands (ev): 0.7854 0.7854 0.9428 0.9428 5.4362 5.4362 6.1395 6.1395 6.7061 6.7061 6.9412 6.9412 8.9786 8.9786 9.2148 9.2148 9.4285 9.4285 9.5339 9.5339 9.9053 9.9053 10.0010 10.0010 10.3166 10.3166 10.4311 10.4311 10.4700 10.4700 10.5141 10.5141 10.5856 10.5856 10.8017 10.8017 10.8394 10.8394 11.1720 11.1720 11.8366 11.8366 12.1428 12.1428 13.2529 13.2529 k = 0.5000 0.2887 0.0479 ( 3540 PWs) bands (ev): 0.7828 0.7828 0.9440 0.9440 5.4342 5.4342 6.1643 6.1643 6.7049 6.7049 6.9335 6.9335 8.9748 8.9748 9.2036 9.2036 9.4402 9.4402 9.5274 9.5274 9.9076 9.9076 10.0162 10.0162 10.3127 10.3127 10.4270 10.4270 10.4657 10.4657 10.5140 10.5140 10.5808 10.5808 10.7870 10.7870 10.8245 10.8245 11.1567 11.1567 11.8434 11.8434 12.1378 12.1378 13.2940 13.2940 k = 0.5000 0.2887 0.0359 ( 3538 PWs) bands (ev): 0.7808 0.7808 0.9448 0.9448 5.4326 5.4326 6.1847 6.1847 6.7040 6.7040 6.9265 6.9265 8.9719 8.9719 9.1946 9.1946 9.4507 9.4507 9.5211 9.5211 9.9088 9.9088 10.0287 10.0287 10.3103 10.3103 10.4248 10.4248 10.4623 10.4623 10.5142 10.5142 10.5773 10.5773 10.7733 10.7733 10.8116 10.8116 11.1458 11.1458 11.8486 11.8486 12.1339 12.1339 13.3271 13.3271 k = 0.5000 0.2887 0.0239 ( 3534 PWs) bands (ev): 0.7794 0.7794 0.9454 0.9454 5.4316 5.4316 6.2000 6.2000 6.7034 6.7034 6.9209 6.9209 8.9697 8.9697 9.1882 9.1882 9.4597 9.4597 9.5153 9.5153 9.9092 9.9092 10.0380 10.0380 10.3090 10.3090 10.4238 10.4238 10.4599 10.4599 10.5146 10.5146 10.5751 10.5751 10.7622 10.7622 10.8017 10.8017 11.1385 11.1385 11.8522 11.8522 12.1311 12.1311 13.3512 13.3512 k = 0.5000 0.2887 0.0120 ( 3546 PWs) bands (ev): 0.7785 0.7785 0.9458 0.9458 5.4309 5.4309 6.2095 6.2095 6.7031 6.7031 6.9173 6.9173 8.9684 8.9684 9.1842 9.1842 9.4661 9.4661 9.5107 9.5107 9.9093 9.9093 10.0438 10.0438 10.3083 10.3083 10.4235 10.4235 10.4585 10.4585 10.5148 10.5148 10.5737 10.5737 10.7550 10.7550 10.7953 10.7953 11.1343 11.1343 11.8544 11.8544 12.1293 12.1293 13.3659 13.3659 k = 0.5000 0.2887-0.0000 ( 3550 PWs) bands (ev): 0.7782 0.7782 0.9459 0.9459 5.4307 5.4307 6.2127 6.2127 6.7029 6.7029 6.9160 6.9160 8.9680 8.9680 9.1829 9.1829 9.4686 9.4686 9.5089 9.5089 9.9094 9.9094 10.0457 10.0457 10.3080 10.3080 10.4235 10.4235 10.4580 10.4580 10.5149 10.5149 10.5733 10.5733 10.7525 10.7525 10.7931 10.7931 11.1329 11.1329 11.8551 11.8551 12.1288 12.1288 13.3708 13.3708 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): 1.0295 1.0295 1.1245 1.1245 6.4879 6.4879 6.6871 6.6871 6.6909 6.6909 7.4465 7.4465 7.4537 7.4537 8.3328 8.3328 8.3380 8.3380 9.9124 9.9124 9.9753 9.9753 10.0131 10.0131 10.0727 10.0727 10.1572 10.1572 10.4764 10.4764 10.7148 10.7148 10.7861 10.7861 10.8233 10.8233 10.8712 10.8712 11.2711 11.2711 11.4208 11.4208 11.6456 11.6456 12.1796 12.1796 k = 0.3333 0.5774 0.0120 ( 3579 PWs) bands (ev): 1.0296 1.0296 1.1246 1.1246 6.4890 6.4890 6.6855 6.6855 6.6893 6.6893 7.4472 7.4472 7.4543 7.4543 8.2649 8.2649 8.4063 8.4063 9.9127 9.9127 9.9747 9.9747 10.0133 10.0133 10.0733 10.0733 10.1567 10.1567 10.4770 10.4770 10.7079 10.7079 10.7695 10.7695 10.8418 10.8418 10.8794 10.8794 11.2714 11.2714 11.4204 11.4204 11.6437 11.6437 12.1823 12.1823 k = 0.3333 0.5774 0.0239 ( 3579 PWs) bands (ev): 1.0299 1.0299 1.1249 1.1249 6.4922 6.4922 6.6808 6.6808 6.6846 6.6846 7.4491 7.4491 7.4562 7.4562 8.1950 8.1950 8.4773 8.4773 9.9134 9.9134 9.9730 9.9730 10.0138 10.0138 10.0750 10.0750 10.1551 10.1551 10.4791 10.4791 10.6907 10.6907 10.7440 10.7440 10.8731 10.8731 10.9006 10.9006 11.2720 11.2720 11.4191 11.4191 11.6378 11.6378 12.1902 12.1902 k = 0.3333 0.5774 0.0359 ( 3579 PWs) bands (ev): 1.0303 1.0303 1.1254 1.1254 6.4977 6.4977 6.6733 6.6733 6.6769 6.6769 7.4522 7.4522 7.4593 7.4593 8.1256 8.1256 8.5485 8.5485 9.9146 9.9146 9.9703 9.9703 10.0146 10.0146 10.0776 10.0776 10.1524 10.1524 10.4824 10.4824 10.6684 10.6684 10.7193 10.7193 10.9073 10.9073 10.9294 10.9294 11.2732 11.2732 11.4169 11.4169 11.6282 11.6282 12.2036 12.2036 k = 0.3333 0.5774 0.0479 ( 3585 PWs) bands (ev): 1.0310 1.0310 1.1261 1.1261 6.5052 6.5052 6.6630 6.6630 6.6666 6.6666 7.4563 7.4563 7.4633 7.4633 8.0568 8.0568 8.6197 8.6197 9.9163 9.9163 9.9668 9.9668 10.0156 10.0156 10.0808 10.0808 10.1487 10.1487 10.4869 10.4869 10.6444 10.6444 10.6965 10.6965 10.9429 10.9429 10.9620 10.9620 11.2748 11.2748 11.4137 11.4137 11.6151 11.6151 12.2225 12.2225 k = 0.3333 0.5774 0.0598 ( 3585 PWs) bands (ev): 1.0318 1.0318 1.1269 1.1269 6.5149 6.5149 6.6504 6.6504 6.6539 6.6539 7.4613 7.4613 7.4682 7.4682 7.9887 7.9887 8.6908 8.6908 9.9184 9.9184 9.9629 9.9629 10.0168 10.0168 10.0842 10.0842 10.1438 10.1438 10.4926 10.4926 10.6205 10.6205 10.6763 10.6763 10.9794 10.9794 10.9965 10.9965 11.2769 11.2769 11.4094 11.4094 11.5986 11.5986 12.2473 12.2473 k = 0.3333 0.5774 0.0718 ( 3570 PWs) bands (ev): 1.0328 1.0328 1.1279 1.1279 6.5267 6.5267 6.6359 6.6359 6.6391 6.6391 7.4670 7.4670 7.4738 7.4738 7.9215 7.9215 8.7617 8.7617 9.9208 9.9208 9.9585 9.9585 10.0181 10.0181 10.0875 10.0875 10.1379 10.1379 10.4994 10.4994 10.5974 10.5974 10.6588 10.6588 11.0160 11.0160 11.0317 11.0317 11.2794 11.2794 11.4036 11.4036 11.5794 11.5794 12.2783 12.2783 k = 0.3333 0.5774 0.0838 ( 3561 PWs) bands (ev): 1.0339 1.0339 1.1290 1.1290 6.5404 6.5404 6.6200 6.6200 6.6228 6.6228 7.4731 7.4731 7.4798 7.4798 7.8551 7.8551 8.8322 8.8322 9.9237 9.9237 9.9540 9.9540 10.0194 10.0194 10.0905 10.0905 10.1311 10.1311 10.5068 10.5068 10.5757 10.5757 10.6444 10.6444 11.0522 11.0522 11.0666 11.0666 11.2825 11.2825 11.3961 11.3961 11.5581 11.5581 12.3156 12.3156 k = 0.3333 0.5774 0.0958 ( 3558 PWs) bands (ev): 1.0351 1.0351 1.1303 1.1303 6.5557 6.5557 6.6035 6.6035 6.6053 6.6053 7.4794 7.4794 7.4861 7.4861 7.7897 7.7897 8.9021 8.9021 9.9267 9.9267 9.9494 9.9494 10.0205 10.0205 10.0926 10.0926 10.1235 10.1235 10.5142 10.5142 10.5554 10.5554 10.6335 10.6335 11.0875 11.0875 11.1005 11.1005 11.2860 11.2860 11.3862 11.3862 11.5354 11.5354 12.3570 12.3570 k = 0.3333 0.5774 0.1077 ( 3552 PWs) bands (ev): 1.0364 1.0364 1.1316 1.1316 6.5689 6.5689 6.5870 6.5870 6.5904 6.5904 7.4859 7.4859 7.4924 7.4924 7.7253 7.7253 8.9714 8.9714 9.9301 9.9301 9.9444 9.9444 10.0214 10.0214 10.0932 10.0932 10.1157 10.1157 10.5212 10.5212 10.5369 10.5369 10.6268 10.6268 11.1212 11.1212 11.1329 11.1329 11.2901 11.2901 11.3731 11.3731 11.5125 11.5125 12.4039 12.4039 k = 0.3333 0.5774 0.1197 ( 3552 PWs) bands (ev): 1.0377 1.0377 1.1330 1.1330 6.5614 6.5614 6.5684 6.5684 6.5997 6.5997 7.4923 7.4923 7.4987 7.4987 7.6621 7.6621 9.0398 9.0398 9.9336 9.9336 9.9393 9.9393 10.0218 10.0218 10.0904 10.0904 10.1095 10.1095 10.5201 10.5201 10.5269 10.5269 10.6250 10.6250 11.1529 11.1529 11.1634 11.1634 11.2948 11.2948 11.3557 11.3557 11.4910 11.4910 12.4575 12.4575 k = 0.3333 0.5774 0.1317 ( 3534 PWs) bands (ev): 1.0391 1.0391 1.1344 1.1344 6.5444 6.5444 6.5499 6.5499 6.6207 6.6207 7.4985 7.4985 7.5049 7.5049 7.6001 7.6001 9.1071 9.1071 9.9337 9.9337 9.9374 9.9374 10.0219 10.0219 10.0829 10.0829 10.1067 10.1067 10.5051 10.5051 10.5306 10.5306 10.6288 10.6288 11.1820 11.1820 11.1916 11.1916 11.3001 11.3001 11.3332 11.3332 11.4719 11.4719 12.5177 12.5177 k = 0.3333 0.5774 0.1436 ( 3522 PWs) bands (ev): 1.0405 1.0405 1.1358 1.1358 6.5267 6.5267 6.5317 6.5317 6.6447 6.6447 7.5045 7.5045 7.5106 7.5106 7.5394 7.5394 9.1732 9.1732 9.9275 9.9275 9.9414 9.9414 10.0215 10.0215 10.0720 10.0720 10.1058 10.1058 10.4918 10.4918 10.5322 10.5322 10.6381 10.6381 11.2080 11.2080 11.2172 11.2172 11.3048 11.3048 11.3067 11.3067 11.4558 11.4558 12.5843 12.5843 k = 0.3333 0.5774 0.1556 ( 3534 PWs) bands (ev): 1.0418 1.0418 1.1372 1.1372 6.5095 6.5095 6.5142 6.5142 6.6710 6.6710 7.4796 7.4796 7.5100 7.5100 7.5164 7.5164 9.2378 9.2378 9.9202 9.9202 9.9454 9.9454 10.0204 10.0204 10.0595 10.0595 10.1052 10.1052 10.4801 10.4801 10.5322 10.5322 10.6521 10.6521 11.2305 11.2305 11.2401 11.2401 11.2731 11.2731 11.3130 11.3130 11.4425 11.4425 12.6569 12.6569 k = 0.3333 0.5774 0.1676 ( 3540 PWs) bands (ev): 1.0431 1.0431 1.1386 1.1386 6.4932 6.4932 6.4978 6.4978 6.6994 6.6994 7.4216 7.4216 7.5150 7.5150 7.5213 7.5213 9.3007 9.3007 9.9113 9.9113 9.9497 9.9497 10.0188 10.0188 10.0464 10.0464 10.1047 10.1047 10.4700 10.4700 10.5313 10.5313 10.6702 10.6702 11.2347 11.2347 11.2518 11.2518 11.2603 11.2603 11.3207 11.3207 11.4315 11.4315 12.7348 12.7348 k = 0.3333 0.5774 0.1795 ( 3537 PWs) bands (ev): 1.0443 1.0443 1.1398 1.1398 6.4781 6.4781 6.4826 6.4826 6.7297 6.7297 7.3650 7.3650 7.5196 7.5196 7.5258 7.5258 9.3617 9.3617 9.9003 9.9003 9.9541 9.9541 10.0165 10.0165 10.0336 10.0336 10.1041 10.1041 10.4614 10.4614 10.5302 10.5302 10.6915 10.6915 11.1970 11.1970 11.2664 11.2664 11.2779 11.2779 11.3292 11.3292 11.4221 11.4221 12.8170 12.8170 k = 0.3333 0.5774 0.1915 ( 3531 PWs) bands (ev): 1.0454 1.0454 1.1409 1.1410 6.4646 6.4646 6.4690 6.4690 6.7619 6.7619 7.3101 7.3101 7.5237 7.5237 7.5298 7.5298 9.4206 9.4206 9.8862 9.8862 9.9587 9.9587 10.0138 10.0138 10.0218 10.0218 10.1034 10.1034 10.4543 10.4543 10.5291 10.5291 10.7158 10.7158 11.1566 11.1566 11.2789 11.2789 11.2928 11.2928 11.3381 11.3381 11.4138 11.4138 12.9022 12.9022 k = 0.3333 0.5774 0.2035 ( 3531 PWs) bands (ev): 1.0464 1.0464 1.1420 1.1420 6.4527 6.4527 6.4572 6.4572 6.7958 6.7958 7.2569 7.2569 7.5271 7.5271 7.5332 7.5332 9.4771 9.4771 9.8685 9.8685 9.9634 9.9634 10.0105 10.0105 10.0115 10.0115 10.1026 10.1026 10.4485 10.4485 10.5282 10.5282 10.7426 10.7426 11.1150 11.1150 11.2889 11.2889 11.3052 11.3052 11.3468 11.3468 11.4064 11.4064 12.9884 12.9884 k = 0.3333 0.5774 0.2154 ( 3531 PWs) bands (ev): 1.0473 1.0473 1.1428 1.1428 6.4428 6.4428 6.4472 6.4472 6.8312 6.8312 7.2057 7.2057 7.5299 7.5299 7.5360 7.5360 9.5311 9.5311 9.8466 9.8466 9.9682 9.9682 10.0033 10.0033 10.0068 10.0068 10.1018 10.1018 10.4439 10.4439 10.5275 10.5275 10.7718 10.7718 11.0731 11.0731 11.2967 11.2967 11.3152 11.3152 11.3549 11.3549 11.3998 11.3998 13.0726 13.0726 k = 0.3333 0.5774 0.2274 ( 3528 PWs) bands (ev): 1.0479 1.0479 1.1435 1.1435 6.4350 6.4350 6.4394 6.4394 6.8676 6.8676 7.1569 7.1569 7.5322 7.5322 7.5382 7.5382 9.5823 9.5823 9.8204 9.8204 9.9730 9.9730 9.9971 9.9971 10.0028 10.0028 10.1011 10.1011 10.4405 10.4405 10.5269 10.5269 10.8032 10.8032 11.0314 11.0314 11.3028 11.3028 11.3228 11.3228 11.3621 11.3621 11.3938 11.3938 13.1507 13.1507 k = 0.3333 0.5774 0.2394 ( 3534 PWs) bands (ev): 1.0484 1.0484 1.1440 1.1440 6.4293 6.4293 6.4336 6.4336 6.9040 6.9040 7.1117 7.1117 7.5338 7.5338 7.5398 7.5398 9.6305 9.6305 9.7900 9.7900 9.9777 9.9777 9.9929 9.9929 9.9986 9.9986 10.1006 10.1006 10.4381 10.4381 10.5266 10.5266 10.8366 10.8366 10.9904 10.9904 11.3071 11.3071 11.3282 11.3282 11.3682 11.3682 11.3884 11.3884 13.2163 13.2163 k = 0.3333 0.5774 0.2514 ( 3528 PWs) bands (ev): 1.0487 1.0487 1.1443 1.1443 6.4258 6.4258 6.4302 6.4302 6.9367 6.9367 7.0737 7.0737 7.5347 7.5347 7.5407 7.5407 9.6754 9.6754 9.7557 9.7557 9.9821 9.9821 9.9905 9.9905 9.9945 9.9945 10.1002 10.1002 10.4366 10.4366 10.5264 10.5264 10.8717 10.8717 10.9507 10.9507 11.3099 11.3099 11.3315 11.3315 11.3735 11.3735 11.3836 11.3836 13.2613 13.2613 k = 0.3333 0.5774 0.2633 ( 3534 PWs) bands (ev): 1.0488 1.0488 1.1444 1.1444 6.4246 6.4246 6.4290 6.4290 6.9527 6.9527 7.0559 7.0559 7.5350 7.5350 7.5410 7.5410 9.7131 9.7131 9.7216 9.7216 9.9845 9.9845 9.9897 9.9897 9.9922 9.9922 10.1001 10.1001 10.4362 10.4362 10.5263 10.5263 10.9002 10.9002 10.9205 10.9205 11.3108 11.3108 11.3325 11.3325 11.3769 11.3769 11.3802 11.3802 13.2775 13.2775 Writing output data file ZrNiP.save init_run : 0.19s CPU 0.31s WALL ( 1 calls) electrons : 161.41s CPU 164.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 161.40s CPU 164.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 341 calls) cegterg : 146.39s CPU 148.56s WALL ( 586 calls) Called by sum_band: Called by *egterg: h_psi : 82.30s CPU 84.18s WALL ( 8953 calls) s_psi : 6.51s CPU 6.69s WALL ( 8953 calls) g_psi : 0.25s CPU 0.23s WALL ( 8026 calls) cdiaghg : 52.56s CPU 52.88s WALL ( 8367 calls) cegterg:over : 6.10s CPU 6.02s WALL ( 8026 calls) cegterg:upda : 4.68s CPU 4.74s WALL ( 8026 calls) cegterg:last : 2.68s CPU 2.77s WALL ( 1646 calls) cdiaghg:chol : 3.02s CPU 3.00s WALL ( 8367 calls) cdiaghg:inve : 1.88s CPU 1.94s WALL ( 8367 calls) cdiaghg:para : 2.90s CPU 3.05s WALL ( 16734 calls) Called by h_psi: h_psi:vloc : 65.68s CPU 67.48s WALL ( 8953 calls) h_psi:vnl : 16.42s CPU 16.49s WALL ( 8953 calls) add_vuspsi : 8.18s CPU 8.27s WALL ( 8953 calls) General routines calbec : 8.22s CPU 8.20s WALL ( 8953 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 62.12s CPU 63.82s WALL ( 988528 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.16s WALL ( 682 calls) Parallel routines fft_scatter : 23.86s CPU 24.80s WALL ( 988551 calls) PWSCF : 2m55.68s CPU 3m11.12s WALL This run was terminated on: 20:59:26 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=