Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NiTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized 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 25 18 5 831 490 83 Max 26 19 6 838 512 88 Sum 913 649 199 30049 18005 3029 bravais-lattice index = 14 lattice parameter (alat) = 7.4776 a.u. unit-cell volume = 489.9340 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.477646 celldm(2)= 1.000000 celldm(3)= 1.353045 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 1.353045 ) 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 0.739074 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Ni 10.00 58.69340 Ni( 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 ) ( -0.6765226 ) 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 ) ( 0.6765226 ) 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 ) ( -0.6765226 ) 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 ) ( -0.6765226 ) 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 ) ( 0.6765226 ) 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 ) ( 0.6765226 ) 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 ) ( 0.6765226 ) 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 ) ( -0.6765226 ) 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 ) ( 0.6765226 ) 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 ) ( 0.6765226 ) 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 ) ( -0.6765226 ) 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 ) ( -0.6765226 ) 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= 351 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0108696 0.0062755 -0.0000000), wk = 0.0028490 k( 3) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0028490 k( 4) = ( 0.0326087 0.0188266 -0.0000000), wk = 0.0028490 k( 5) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0028490 k( 6) = ( 0.0543478 0.0313777 -0.0000000), wk = 0.0028490 k( 7) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0028490 k( 8) = ( 0.0760870 0.0439288 -0.0000000), wk = 0.0028490 k( 9) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0028490 k( 10) = ( 0.0978261 0.0564799 -0.0000000), wk = 0.0028490 k( 11) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0028490 k( 12) = ( 0.1195652 0.0690310 -0.0000000), wk = 0.0028490 k( 13) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0028490 k( 14) = ( 0.1413043 0.0815821 -0.0000000), wk = 0.0028490 k( 15) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0028490 k( 16) = ( 0.1630435 0.0941332 -0.0000000), wk = 0.0028490 k( 17) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0028490 k( 18) = ( 0.1847826 0.1066843 -0.0000000), wk = 0.0028490 k( 19) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0028490 k( 20) = ( 0.2065217 0.1192354 -0.0000000), wk = 0.0028490 k( 21) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0028490 k( 22) = ( 0.2282609 0.1317865 -0.0000000), wk = 0.0028490 k( 23) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0028490 k( 24) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028490 k( 25) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0028490 k( 26) = ( 0.2717391 0.1568887 -0.0000000), wk = 0.0028490 k( 27) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0028490 k( 28) = ( 0.2934783 0.1694398 -0.0000000), wk = 0.0028490 k( 29) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0028490 k( 30) = ( 0.3152174 0.1819908 -0.0000000), wk = 0.0028490 k( 31) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0028490 k( 32) = ( 0.3369565 0.1945419 -0.0000000), wk = 0.0028490 k( 33) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0028490 k( 34) = ( 0.3586956 0.2070930 -0.0000000), wk = 0.0028490 k( 35) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0028490 k( 36) = ( 0.3804348 0.2196441 -0.0000000), wk = 0.0028490 k( 37) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0028490 k( 38) = ( 0.4021739 0.2321952 -0.0000000), wk = 0.0028490 k( 39) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0028490 k( 40) = ( 0.4239130 0.2447463 -0.0000000), wk = 0.0028490 k( 41) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0028490 k( 42) = ( 0.4456522 0.2572974 -0.0000000), wk = 0.0028490 k( 43) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0028490 k( 44) = ( 0.4673913 0.2698485 -0.0000000), wk = 0.0028490 k( 45) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0028490 k( 46) = ( 0.4891304 0.2823996 -0.0000000), wk = 0.0028490 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 49) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0028490 k( 50) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0028490 k( 51) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0028490 k( 52) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0028490 k( 53) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0028490 k( 54) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0028490 k( 55) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0028490 k( 56) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0028490 k( 57) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0028490 k( 58) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0028490 k( 59) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0028490 k( 60) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0028490 k( 61) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0028490 k( 62) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0028490 k( 63) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0028490 k( 64) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0028490 k( 65) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0028490 k( 66) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0028490 k( 67) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0028490 k( 68) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0028490 k( 69) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0028490 k( 70) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0028490 k( 71) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0028490 k( 72) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0028490 k( 73) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0028490 k( 74) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0028490 k( 75) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 77) = ( 0.3270440 0.5664569 -0.0000000), wk = 0.0028490 k( 78) = ( 0.3207547 0.5555635 -0.0000000), wk = 0.0028490 k( 79) = ( 0.3144654 0.5446701 -0.0000000), wk = 0.0028490 k( 80) = ( 0.3081761 0.5337767 -0.0000000), wk = 0.0028490 k( 81) = ( 0.3018868 0.5228833 -0.0000000), wk = 0.0028490 k( 82) = ( 0.2955975 0.5119899 -0.0000000), wk = 0.0028490 k( 83) = ( 0.2893082 0.5010965 -0.0000000), wk = 0.0028490 k( 84) = ( 0.2830189 0.4902031 -0.0000000), wk = 0.0028490 k( 85) = ( 0.2767296 0.4793097 -0.0000000), wk = 0.0028490 k( 86) = ( 0.2704402 0.4684163 -0.0000000), wk = 0.0028490 k( 87) = ( 0.2641509 0.4575228 -0.0000000), wk = 0.0028490 k( 88) = ( 0.2578616 0.4466295 -0.0000000), wk = 0.0028490 k( 89) = ( 0.2515723 0.4357361 -0.0000000), wk = 0.0028490 k( 90) = ( 0.2452830 0.4248427 -0.0000000), wk = 0.0028490 k( 91) = ( 0.2389937 0.4139492 -0.0000000), wk = 0.0028490 k( 92) = ( 0.2327044 0.4030558 -0.0000000), wk = 0.0028490 k( 93) = ( 0.2264151 0.3921624 -0.0000000), wk = 0.0028490 k( 94) = ( 0.2201258 0.3812691 -0.0000000), wk = 0.0028490 k( 95) = ( 0.2138365 0.3703756 -0.0000000), wk = 0.0028490 k( 96) = ( 0.2075472 0.3594822 -0.0000000), wk = 0.0028490 k( 97) = ( 0.2012579 0.3485888 -0.0000000), wk = 0.0028490 k( 98) = ( 0.1949685 0.3376954 -0.0000000), wk = 0.0028490 k( 99) = ( 0.1886792 0.3268020 -0.0000000), wk = 0.0028490 k( 100) = ( 0.1823899 0.3159086 -0.0000000), wk = 0.0028490 k( 101) = ( 0.1761006 0.3050152 -0.0000000), wk = 0.0028490 k( 102) = ( 0.1698113 0.2941218 -0.0000000), wk = 0.0028490 k( 103) = ( 0.1635220 0.2832284 -0.0000000), wk = 0.0028490 k( 104) = ( 0.1572327 0.2723350 -0.0000000), wk = 0.0028490 k( 105) = ( 0.1509434 0.2614416 -0.0000000), wk = 0.0028490 k( 106) = ( 0.1446541 0.2505482 -0.0000000), wk = 0.0028490 k( 107) = ( 0.1383648 0.2396548 -0.0000000), wk = 0.0028490 k( 108) = ( 0.1320755 0.2287614 -0.0000000), wk = 0.0028490 k( 109) = ( 0.1257862 0.2178680 -0.0000000), wk = 0.0028490 k( 110) = ( 0.1194969 0.2069746 -0.0000000), wk = 0.0028490 k( 111) = ( 0.1132076 0.1960812 -0.0000000), wk = 0.0028490 k( 112) = ( 0.1069182 0.1851878 -0.0000000), wk = 0.0028490 k( 113) = ( 0.1006289 0.1742944 -0.0000000), wk = 0.0028490 k( 114) = ( 0.0943396 0.1634010 -0.0000000), wk = 0.0028490 k( 115) = ( 0.0880503 0.1525076 -0.0000000), wk = 0.0028490 k( 116) = ( 0.0817610 0.1416142 -0.0000000), wk = 0.0028490 k( 117) = ( 0.0754717 0.1307208 -0.0000000), wk = 0.0028490 k( 118) = ( 0.0691824 0.1198274 -0.0000000), wk = 0.0028490 k( 119) = ( 0.0628931 0.1089340 -0.0000000), wk = 0.0028490 k( 120) = ( 0.0566038 0.0980406 -0.0000000), wk = 0.0028490 k( 121) = ( 0.0503145 0.0871472 -0.0000000), wk = 0.0028490 k( 122) = ( 0.0440252 0.0762538 -0.0000000), wk = 0.0028490 k( 123) = ( 0.0377359 0.0653604 -0.0000000), wk = 0.0028490 k( 124) = ( 0.0314465 0.0544670 -0.0000000), wk = 0.0028490 k( 125) = ( 0.0251572 0.0435736 -0.0000000), wk = 0.0028490 k( 126) = ( 0.0188679 0.0326802 -0.0000000), wk = 0.0028490 k( 127) = ( 0.0125786 0.0217868 -0.0000000), wk = 0.0028490 k( 128) = ( 0.0062893 0.0108934 -0.0000000), wk = 0.0028490 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 131) = ( 0.0000000 0.0000000 0.0123179), wk = 0.0028490 k( 132) = ( 0.0000000 0.0000000 0.0246358), wk = 0.0028490 k( 133) = ( 0.0000000 0.0000000 0.0369537), wk = 0.0028490 k( 134) = ( 0.0000000 0.0000000 0.0492716), wk = 0.0028490 k( 135) = ( 0.0000000 0.0000000 0.0615895), wk = 0.0028490 k( 136) = ( 0.0000000 0.0000000 0.0739074), wk = 0.0028490 k( 137) = ( 0.0000000 0.0000000 0.0862253), wk = 0.0028490 k( 138) = ( 0.0000000 0.0000000 0.0985431), wk = 0.0028490 k( 139) = ( 0.0000000 0.0000000 0.1108610), wk = 0.0028490 k( 140) = ( 0.0000000 0.0000000 0.1231789), wk = 0.0028490 k( 141) = ( 0.0000000 0.0000000 0.1354968), wk = 0.0028490 k( 142) = ( 0.0000000 0.0000000 0.1478147), wk = 0.0028490 k( 143) = ( 0.0000000 0.0000000 0.1601326), wk = 0.0028490 k( 144) = ( 0.0000000 0.0000000 0.1724505), wk = 0.0028490 k( 145) = ( 0.0000000 0.0000000 0.1847684), wk = 0.0028490 k( 146) = ( 0.0000000 0.0000000 0.1970863), wk = 0.0028490 k( 147) = ( 0.0000000 0.0000000 0.2094042), wk = 0.0028490 k( 148) = ( 0.0000000 0.0000000 0.2217221), wk = 0.0028490 k( 149) = ( 0.0000000 0.0000000 0.2340400), wk = 0.0028490 k( 150) = ( 0.0000000 0.0000000 0.2463579), wk = 0.0028490 k( 151) = ( 0.0000000 0.0000000 0.2586758), wk = 0.0028490 k( 152) = ( 0.0000000 0.0000000 0.2709937), wk = 0.0028490 k( 153) = ( 0.0000000 0.0000000 0.2833115), wk = 0.0028490 k( 154) = ( 0.0000000 0.0000000 0.2956294), wk = 0.0028490 k( 155) = ( 0.0000000 0.0000000 0.3079473), wk = 0.0028490 k( 156) = ( 0.0000000 0.0000000 0.3202652), wk = 0.0028490 k( 157) = ( 0.0000000 0.0000000 0.3325831), wk = 0.0028490 k( 158) = ( 0.0000000 0.0000000 0.3449010), wk = 0.0028490 k( 159) = ( 0.0000000 0.0000000 0.3572189), wk = 0.0028490 k( 160) = ( 0.0000000 0.0000000 0.3695368), wk = 0.0028490 k( 161) = ( 0.0000000 0.0000000 0.3695368), wk = 0.0028490 k( 162) = ( 0.0108696 0.0062755 0.3695368), wk = 0.0028490 k( 163) = ( 0.0217391 0.0125511 0.3695368), wk = 0.0028490 k( 164) = ( 0.0326087 0.0188266 0.3695368), wk = 0.0028490 k( 165) = ( 0.0434783 0.0251022 0.3695368), wk = 0.0028490 k( 166) = ( 0.0543478 0.0313777 0.3695368), wk = 0.0028490 k( 167) = ( 0.0652174 0.0376533 0.3695368), wk = 0.0028490 k( 168) = ( 0.0760870 0.0439288 0.3695368), wk = 0.0028490 k( 169) = ( 0.0869565 0.0502044 0.3695368), wk = 0.0028490 k( 170) = ( 0.0978261 0.0564799 0.3695368), wk = 0.0028490 k( 171) = ( 0.1086957 0.0627555 0.3695368), wk = 0.0028490 k( 172) = ( 0.1195652 0.0690310 0.3695368), wk = 0.0028490 k( 173) = ( 0.1304348 0.0753066 0.3695368), wk = 0.0028490 k( 174) = ( 0.1413043 0.0815821 0.3695368), wk = 0.0028490 k( 175) = ( 0.1521739 0.0878576 0.3695368), wk = 0.0028490 k( 176) = ( 0.1630435 0.0941332 0.3695368), wk = 0.0028490 k( 177) = ( 0.1739130 0.1004087 0.3695368), wk = 0.0028490 k( 178) = ( 0.1847826 0.1066843 0.3695368), wk = 0.0028490 k( 179) = ( 0.1956522 0.1129598 0.3695368), wk = 0.0028490 k( 180) = ( 0.2065217 0.1192354 0.3695368), wk = 0.0028490 k( 181) = ( 0.2173913 0.1255109 0.3695368), wk = 0.0028490 k( 182) = ( 0.2282609 0.1317865 0.3695368), wk = 0.0028490 k( 183) = ( 0.2391304 0.1380620 0.3695368), wk = 0.0028490 k( 184) = ( 0.2500000 0.1443376 0.3695368), wk = 0.0028490 k( 185) = ( 0.2608696 0.1506131 0.3695368), wk = 0.0028490 k( 186) = ( 0.2717391 0.1568887 0.3695368), wk = 0.0028490 k( 187) = ( 0.2826087 0.1631642 0.3695368), wk = 0.0028490 k( 188) = ( 0.2934783 0.1694398 0.3695368), wk = 0.0028490 k( 189) = ( 0.3043478 0.1757153 0.3695368), wk = 0.0028490 k( 190) = ( 0.3152174 0.1819908 0.3695368), wk = 0.0028490 k( 191) = ( 0.3260870 0.1882664 0.3695368), wk = 0.0028490 k( 192) = ( 0.3369565 0.1945419 0.3695368), wk = 0.0028490 k( 193) = ( 0.3478261 0.2008175 0.3695368), wk = 0.0028490 k( 194) = ( 0.3586956 0.2070930 0.3695368), wk = 0.0028490 k( 195) = ( 0.3695652 0.2133686 0.3695368), wk = 0.0028490 k( 196) = ( 0.3804348 0.2196441 0.3695368), wk = 0.0028490 k( 197) = ( 0.3913044 0.2259197 0.3695368), wk = 0.0028490 k( 198) = ( 0.4021739 0.2321952 0.3695368), wk = 0.0028490 k( 199) = ( 0.4130435 0.2384708 0.3695368), wk = 0.0028490 k( 200) = ( 0.4239130 0.2447463 0.3695368), wk = 0.0028490 k( 201) = ( 0.4347826 0.2510219 0.3695368), wk = 0.0028490 k( 202) = ( 0.4456522 0.2572974 0.3695368), wk = 0.0028490 k( 203) = ( 0.4565217 0.2635729 0.3695368), wk = 0.0028490 k( 204) = ( 0.4673913 0.2698485 0.3695368), wk = 0.0028490 k( 205) = ( 0.4782609 0.2761240 0.3695368), wk = 0.0028490 k( 206) = ( 0.4891304 0.2823996 0.3695368), wk = 0.0028490 k( 207) = ( 0.5000000 0.2886751 0.3695368), wk = 0.0028490 k( 208) = ( 0.5000000 0.2886751 0.3695368), wk = 0.0028490 k( 209) = ( 0.4938272 0.2993668 0.3695368), wk = 0.0028490 k( 210) = ( 0.4876543 0.3100585 0.3695368), wk = 0.0028490 k( 211) = ( 0.4814815 0.3207502 0.3695368), wk = 0.0028490 k( 212) = ( 0.4753086 0.3314418 0.3695368), wk = 0.0028490 k( 213) = ( 0.4691358 0.3421335 0.3695368), wk = 0.0028490 k( 214) = ( 0.4629630 0.3528252 0.3695368), wk = 0.0028490 k( 215) = ( 0.4567901 0.3635168 0.3695368), wk = 0.0028490 k( 216) = ( 0.4506173 0.3742085 0.3695368), wk = 0.0028490 k( 217) = ( 0.4444444 0.3849002 0.3695368), wk = 0.0028490 k( 218) = ( 0.4382716 0.3955918 0.3695368), wk = 0.0028490 k( 219) = ( 0.4320988 0.4062835 0.3695368), wk = 0.0028490 k( 220) = ( 0.4259259 0.4169752 0.3695368), wk = 0.0028490 k( 221) = ( 0.4197531 0.4276669 0.3695368), wk = 0.0028490 k( 222) = ( 0.4135802 0.4383585 0.3695368), wk = 0.0028490 k( 223) = ( 0.4074074 0.4490502 0.3695368), wk = 0.0028490 k( 224) = ( 0.4012346 0.4597419 0.3695368), wk = 0.0028490 k( 225) = ( 0.3950617 0.4704335 0.3695368), wk = 0.0028490 k( 226) = ( 0.3888889 0.4811252 0.3695368), wk = 0.0028490 k( 227) = ( 0.3827160 0.4918169 0.3695368), wk = 0.0028490 k( 228) = ( 0.3765432 0.5025086 0.3695368), wk = 0.0028490 k( 229) = ( 0.3703704 0.5132002 0.3695368), wk = 0.0028490 k( 230) = ( 0.3641975 0.5238919 0.3695368), wk = 0.0028490 k( 231) = ( 0.3580247 0.5345836 0.3695368), wk = 0.0028490 k( 232) = ( 0.3518519 0.5452753 0.3695368), wk = 0.0028490 k( 233) = ( 0.3456790 0.5559669 0.3695368), wk = 0.0028490 k( 234) = ( 0.3395062 0.5666586 0.3695368), wk = 0.0028490 k( 235) = ( 0.3333333 0.5773503 0.3695368), wk = 0.0028490 k( 236) = ( 0.3333333 0.5773503 0.3695368), wk = 0.0028490 k( 237) = ( 0.3270440 0.5664569 0.3695368), wk = 0.0028490 k( 238) = ( 0.3207547 0.5555635 0.3695368), wk = 0.0028490 k( 239) = ( 0.3144654 0.5446701 0.3695368), wk = 0.0028490 k( 240) = ( 0.3081761 0.5337767 0.3695368), wk = 0.0028490 k( 241) = ( 0.3018868 0.5228833 0.3695368), wk = 0.0028490 k( 242) = ( 0.2955975 0.5119899 0.3695368), wk = 0.0028490 k( 243) = ( 0.2893082 0.5010965 0.3695368), wk = 0.0028490 k( 244) = ( 0.2830189 0.4902031 0.3695368), wk = 0.0028490 k( 245) = ( 0.2767296 0.4793097 0.3695368), wk = 0.0028490 k( 246) = ( 0.2704402 0.4684163 0.3695368), wk = 0.0028490 k( 247) = ( 0.2641509 0.4575228 0.3695368), wk = 0.0028490 k( 248) = ( 0.2578616 0.4466295 0.3695368), wk = 0.0028490 k( 249) = ( 0.2515723 0.4357361 0.3695368), wk = 0.0028490 k( 250) = ( 0.2452830 0.4248427 0.3695368), wk = 0.0028490 k( 251) = ( 0.2389937 0.4139492 0.3695368), wk = 0.0028490 k( 252) = ( 0.2327044 0.4030558 0.3695368), wk = 0.0028490 k( 253) = ( 0.2264151 0.3921624 0.3695368), wk = 0.0028490 k( 254) = ( 0.2201258 0.3812691 0.3695368), wk = 0.0028490 k( 255) = ( 0.2138365 0.3703756 0.3695368), wk = 0.0028490 k( 256) = ( 0.2075472 0.3594822 0.3695368), wk = 0.0028490 k( 257) = ( 0.2012579 0.3485888 0.3695368), wk = 0.0028490 k( 258) = ( 0.1949685 0.3376954 0.3695368), wk = 0.0028490 k( 259) = ( 0.1886792 0.3268020 0.3695368), wk = 0.0028490 k( 260) = ( 0.1823899 0.3159086 0.3695368), wk = 0.0028490 k( 261) = ( 0.1761006 0.3050152 0.3695368), wk = 0.0028490 k( 262) = ( 0.1698113 0.2941218 0.3695368), wk = 0.0028490 k( 263) = ( 0.1635220 0.2832284 0.3695368), wk = 0.0028490 k( 264) = ( 0.1572327 0.2723350 0.3695368), wk = 0.0028490 k( 265) = ( 0.1509434 0.2614416 0.3695368), wk = 0.0028490 k( 266) = ( 0.1446541 0.2505482 0.3695368), wk = 0.0028490 k( 267) = ( 0.1383648 0.2396548 0.3695368), wk = 0.0028490 k( 268) = ( 0.1320755 0.2287614 0.3695368), wk = 0.0028490 k( 269) = ( 0.1257862 0.2178680 0.3695368), wk = 0.0028490 k( 270) = ( 0.1194969 0.2069746 0.3695368), wk = 0.0028490 k( 271) = ( 0.1132076 0.1960812 0.3695368), wk = 0.0028490 k( 272) = ( 0.1069182 0.1851878 0.3695368), wk = 0.0028490 k( 273) = ( 0.1006289 0.1742944 0.3695368), wk = 0.0028490 k( 274) = ( 0.0943396 0.1634010 0.3695368), wk = 0.0028490 k( 275) = ( 0.0880503 0.1525076 0.3695368), wk = 0.0028490 k( 276) = ( 0.0817610 0.1416142 0.3695368), wk = 0.0028490 k( 277) = ( 0.0754717 0.1307208 0.3695368), wk = 0.0028490 k( 278) = ( 0.0691824 0.1198274 0.3695368), wk = 0.0028490 k( 279) = ( 0.0628931 0.1089340 0.3695368), wk = 0.0028490 k( 280) = ( 0.0566038 0.0980406 0.3695368), wk = 0.0028490 k( 281) = ( 0.0503145 0.0871472 0.3695368), wk = 0.0028490 k( 282) = ( 0.0440252 0.0762538 0.3695368), wk = 0.0028490 k( 283) = ( 0.0377359 0.0653604 0.3695368), wk = 0.0028490 k( 284) = ( 0.0314465 0.0544670 0.3695368), wk = 0.0028490 k( 285) = ( 0.0251572 0.0435736 0.3695368), wk = 0.0028490 k( 286) = ( 0.0188679 0.0326802 0.3695368), wk = 0.0028490 k( 287) = ( 0.0125786 0.0217868 0.3695368), wk = 0.0028490 k( 288) = ( 0.0062893 0.0108934 0.3695368), wk = 0.0028490 k( 289) = ( 0.0000000 0.0000000 0.3695368), wk = 0.0028490 k( 290) = ( 0.5000000 0.2886751 0.3695368), wk = 0.0028490 k( 291) = ( 0.5000000 0.2886751 0.3572189), wk = 0.0028490 k( 292) = ( 0.5000000 0.2886751 0.3449010), wk = 0.0028490 k( 293) = ( 0.5000000 0.2886751 0.3325831), wk = 0.0028490 k( 294) = ( 0.5000000 0.2886751 0.3202652), wk = 0.0028490 k( 295) = ( 0.5000000 0.2886751 0.3079473), wk = 0.0028490 k( 296) = ( 0.5000000 0.2886751 0.2956294), wk = 0.0028490 k( 297) = ( 0.5000000 0.2886751 0.2833115), wk = 0.0028490 k( 298) = ( 0.5000000 0.2886751 0.2709937), wk = 0.0028490 k( 299) = ( 0.5000000 0.2886751 0.2586758), wk = 0.0028490 k( 300) = ( 0.5000000 0.2886751 0.2463579), wk = 0.0028490 k( 301) = ( 0.5000000 0.2886751 0.2340400), wk = 0.0028490 k( 302) = ( 0.5000000 0.2886751 0.2217221), wk = 0.0028490 k( 303) = ( 0.5000000 0.2886751 0.2094042), wk = 0.0028490 k( 304) = ( 0.5000000 0.2886751 0.1970863), wk = 0.0028490 k( 305) = ( 0.5000000 0.2886751 0.1847684), wk = 0.0028490 k( 306) = ( 0.5000000 0.2886751 0.1724505), wk = 0.0028490 k( 307) = ( 0.5000000 0.2886751 0.1601326), wk = 0.0028490 k( 308) = ( 0.5000000 0.2886751 0.1478147), wk = 0.0028490 k( 309) = ( 0.5000000 0.2886751 0.1354968), wk = 0.0028490 k( 310) = ( 0.5000000 0.2886751 0.1231789), wk = 0.0028490 k( 311) = ( 0.5000000 0.2886751 0.1108610), wk = 0.0028490 k( 312) = ( 0.5000000 0.2886751 0.0985431), wk = 0.0028490 k( 313) = ( 0.5000000 0.2886751 0.0862253), wk = 0.0028490 k( 314) = ( 0.5000000 0.2886751 0.0739074), wk = 0.0028490 k( 315) = ( 0.5000000 0.2886751 0.0615895), wk = 0.0028490 k( 316) = ( 0.5000000 0.2886751 0.0492716), wk = 0.0028490 k( 317) = ( 0.5000000 0.2886751 0.0369537), wk = 0.0028490 k( 318) = ( 0.5000000 0.2886751 0.0246358), wk = 0.0028490 k( 319) = ( 0.5000000 0.2886751 0.0123179), wk = 0.0028490 k( 320) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 321) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 322) = ( 0.3333333 0.5773503 0.0123179), wk = 0.0028490 k( 323) = ( 0.3333333 0.5773503 0.0246358), wk = 0.0028490 k( 324) = ( 0.3333333 0.5773503 0.0369537), wk = 0.0028490 k( 325) = ( 0.3333333 0.5773503 0.0492716), wk = 0.0028490 k( 326) = ( 0.3333333 0.5773503 0.0615895), wk = 0.0028490 k( 327) = ( 0.3333333 0.5773503 0.0739074), wk = 0.0028490 k( 328) = ( 0.3333333 0.5773503 0.0862253), wk = 0.0028490 k( 329) = ( 0.3333333 0.5773503 0.0985431), wk = 0.0028490 k( 330) = ( 0.3333333 0.5773503 0.1108610), wk = 0.0028490 k( 331) = ( 0.3333333 0.5773503 0.1231789), wk = 0.0028490 k( 332) = ( 0.3333333 0.5773503 0.1354968), wk = 0.0028490 k( 333) = ( 0.3333333 0.5773503 0.1478147), wk = 0.0028490 k( 334) = ( 0.3333333 0.5773503 0.1601326), wk = 0.0028490 k( 335) = ( 0.3333333 0.5773503 0.1724505), wk = 0.0028490 k( 336) = ( 0.3333333 0.5773503 0.1847684), wk = 0.0028490 k( 337) = ( 0.3333333 0.5773503 0.1970863), wk = 0.0028490 k( 338) = ( 0.3333333 0.5773503 0.2094042), wk = 0.0028490 k( 339) = ( 0.3333333 0.5773503 0.2217221), wk = 0.0028490 k( 340) = ( 0.3333333 0.5773503 0.2340400), wk = 0.0028490 k( 341) = ( 0.3333333 0.5773503 0.2463579), wk = 0.0028490 k( 342) = ( 0.3333333 0.5773503 0.2586758), wk = 0.0028490 k( 343) = ( 0.3333333 0.5773503 0.2709937), wk = 0.0028490 k( 344) = ( 0.3333333 0.5773503 0.2833115), wk = 0.0028490 k( 345) = ( 0.3333333 0.5773503 0.2956294), wk = 0.0028490 k( 346) = ( 0.3333333 0.5773503 0.3079473), wk = 0.0028490 k( 347) = ( 0.3333333 0.5773503 0.3202652), wk = 0.0028490 k( 348) = ( 0.3333333 0.5773503 0.3325831), wk = 0.0028490 k( 349) = ( 0.3333333 0.5773503 0.3449010), wk = 0.0028490 k( 350) = ( 0.3333333 0.5773503 0.3572189), wk = 0.0028490 k( 351) = ( 0.3333333 0.5773503 0.3695368), wk = 0.0028490 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0108696 0.0000000 -0.0000000), wk = 0.0028490 k( 3) = ( 0.0217391 0.0000000 -0.0000000), wk = 0.0028490 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0028490 k( 5) = ( 0.0434783 0.0000000 -0.0000000), wk = 0.0028490 k( 6) = ( 0.0543478 0.0000000 -0.0000000), wk = 0.0028490 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0028490 k( 8) = ( 0.0760870 0.0000000 -0.0000000), wk = 0.0028490 k( 9) = ( 0.0869565 0.0000000 -0.0000000), wk = 0.0028490 k( 10) = ( 0.0978261 0.0000000 -0.0000000), wk = 0.0028490 k( 11) = ( 0.1086957 0.0000000 -0.0000000), wk = 0.0028490 k( 12) = ( 0.1195652 0.0000000 -0.0000000), wk = 0.0028490 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0028490 k( 14) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0028490 k( 15) = ( 0.1521739 0.0000000 -0.0000000), wk = 0.0028490 k( 16) = ( 0.1630435 0.0000000 -0.0000000), wk = 0.0028490 k( 17) = ( 0.1739130 0.0000000 -0.0000000), wk = 0.0028490 k( 18) = ( 0.1847826 0.0000000 -0.0000000), wk = 0.0028490 k( 19) = ( 0.1956522 0.0000000 -0.0000000), wk = 0.0028490 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0028490 k( 21) = ( 0.2173913 0.0000000 -0.0000000), wk = 0.0028490 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0028490 k( 23) = ( 0.2391304 0.0000000 -0.0000000), wk = 0.0028490 k( 24) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028490 k( 25) = ( 0.2608696 -0.0000000 -0.0000000), wk = 0.0028490 k( 26) = ( 0.2717391 -0.0000000 -0.0000000), wk = 0.0028490 k( 27) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0028490 k( 28) = ( 0.2934783 0.0000000 -0.0000000), wk = 0.0028490 k( 29) = ( 0.3043478 0.0000000 -0.0000000), wk = 0.0028490 k( 30) = ( 0.3152174 0.0000000 -0.0000000), wk = 0.0028490 k( 31) = ( 0.3260870 0.0000000 -0.0000000), wk = 0.0028490 k( 32) = ( 0.3369565 -0.0000000 -0.0000000), wk = 0.0028490 k( 33) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0028490 k( 34) = ( 0.3586956 0.0000000 -0.0000000), wk = 0.0028490 k( 35) = ( 0.3695652 0.0000000 -0.0000000), wk = 0.0028490 k( 36) = ( 0.3804348 0.0000000 -0.0000000), wk = 0.0028490 k( 37) = ( 0.3913044 0.0000000 -0.0000000), wk = 0.0028490 k( 38) = ( 0.4021739 0.0000000 -0.0000000), wk = 0.0028490 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0028490 k( 40) = ( 0.4239130 -0.0000000 -0.0000000), wk = 0.0028490 k( 41) = ( 0.4347826 0.0000000 -0.0000000), wk = 0.0028490 k( 42) = ( 0.4456522 -0.0000000 -0.0000000), wk = 0.0028490 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0028490 k( 44) = ( 0.4673913 0.0000000 -0.0000000), wk = 0.0028490 k( 45) = ( 0.4782609 0.0000000 -0.0000000), wk = 0.0028490 k( 46) = ( 0.4891304 0.0000000 -0.0000000), wk = 0.0028490 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028490 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028490 k( 49) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0028490 k( 50) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0028490 k( 51) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0028490 k( 52) = ( 0.4753086 0.0493827 -0.0000000), wk = 0.0028490 k( 53) = ( 0.4691358 0.0617284 -0.0000000), wk = 0.0028490 k( 54) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0028490 k( 55) = ( 0.4567901 0.0864198 -0.0000000), wk = 0.0028490 k( 56) = ( 0.4506173 0.0987654 -0.0000000), wk = 0.0028490 k( 57) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0028490 k( 58) = ( 0.4382716 0.1234568 -0.0000000), wk = 0.0028490 k( 59) = ( 0.4320988 0.1358025 -0.0000000), wk = 0.0028490 k( 60) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0028490 k( 61) = ( 0.4197531 0.1604938 -0.0000000), wk = 0.0028490 k( 62) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0028490 k( 63) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0028490 k( 64) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0028490 k( 65) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0028490 k( 66) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0028490 k( 67) = ( 0.3827160 0.2345679 -0.0000000), wk = 0.0028490 k( 68) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0028490 k( 69) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0028490 k( 70) = ( 0.3641975 0.2716049 0.0000000), wk = 0.0028490 k( 71) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0028490 k( 72) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0028490 k( 73) = ( 0.3456790 0.3086420 -0.0000000), wk = 0.0028490 k( 74) = ( 0.3395062 0.3209876 -0.0000000), wk = 0.0028490 k( 75) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 76) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 77) = ( 0.3270440 0.3270440 -0.0000000), wk = 0.0028490 k( 78) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0028490 k( 79) = ( 0.3144654 0.3144654 -0.0000000), wk = 0.0028490 k( 80) = ( 0.3081761 0.3081761 -0.0000000), wk = 0.0028490 k( 81) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0028490 k( 82) = ( 0.2955975 0.2955975 0.0000000), wk = 0.0028490 k( 83) = ( 0.2893082 0.2893082 -0.0000000), wk = 0.0028490 k( 84) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0028490 k( 85) = ( 0.2767296 0.2767296 -0.0000000), wk = 0.0028490 k( 86) = ( 0.2704402 0.2704402 -0.0000000), wk = 0.0028490 k( 87) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0028490 k( 88) = ( 0.2578616 0.2578616 -0.0000000), wk = 0.0028490 k( 89) = ( 0.2515723 0.2515723 -0.0000000), wk = 0.0028490 k( 90) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0028490 k( 91) = ( 0.2389937 0.2389937 0.0000000), wk = 0.0028490 k( 92) = ( 0.2327044 0.2327044 -0.0000000), wk = 0.0028490 k( 93) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0028490 k( 94) = ( 0.2201258 0.2201258 0.0000000), wk = 0.0028490 k( 95) = ( 0.2138365 0.2138365 -0.0000000), wk = 0.0028490 k( 96) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0028490 k( 97) = ( 0.2012579 0.2012579 -0.0000000), wk = 0.0028490 k( 98) = ( 0.1949685 0.1949685 -0.0000000), wk = 0.0028490 k( 99) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0028490 k( 100) = ( 0.1823899 0.1823899 -0.0000000), wk = 0.0028490 k( 101) = ( 0.1761006 0.1761006 -0.0000000), wk = 0.0028490 k( 102) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0028490 k( 103) = ( 0.1635220 0.1635220 -0.0000000), wk = 0.0028490 k( 104) = ( 0.1572327 0.1572327 0.0000000), wk = 0.0028490 k( 105) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0028490 k( 106) = ( 0.1446541 0.1446541 -0.0000000), wk = 0.0028490 k( 107) = ( 0.1383648 0.1383648 -0.0000000), wk = 0.0028490 k( 108) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0028490 k( 109) = ( 0.1257862 0.1257862 -0.0000000), wk = 0.0028490 k( 110) = ( 0.1194969 0.1194969 -0.0000000), wk = 0.0028490 k( 111) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0028490 k( 112) = ( 0.1069182 0.1069182 -0.0000000), wk = 0.0028490 k( 113) = ( 0.1006289 0.1006289 -0.0000000), wk = 0.0028490 k( 114) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0028490 k( 115) = ( 0.0880503 0.0880503 -0.0000000), wk = 0.0028490 k( 116) = ( 0.0817610 0.0817610 -0.0000000), wk = 0.0028490 k( 117) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0028490 k( 118) = ( 0.0691824 0.0691824 -0.0000000), wk = 0.0028490 k( 119) = ( 0.0628931 0.0628931 -0.0000000), wk = 0.0028490 k( 120) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0028490 k( 121) = ( 0.0503145 0.0503145 -0.0000000), wk = 0.0028490 k( 122) = ( 0.0440252 0.0440252 -0.0000000), wk = 0.0028490 k( 123) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0028490 k( 124) = ( 0.0314465 0.0314465 -0.0000000), wk = 0.0028490 k( 125) = ( 0.0251572 0.0251572 -0.0000000), wk = 0.0028490 k( 126) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0028490 k( 127) = ( 0.0125786 0.0125786 -0.0000000), wk = 0.0028490 k( 128) = ( 0.0062893 0.0062893 -0.0000000), wk = 0.0028490 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 131) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0028490 k( 132) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028490 k( 133) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028490 k( 134) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028490 k( 135) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028490 k( 136) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028490 k( 137) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0028490 k( 138) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028490 k( 139) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028490 k( 140) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028490 k( 141) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0028490 k( 142) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028490 k( 143) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0028490 k( 144) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028490 k( 145) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028490 k( 146) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028490 k( 147) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0028490 k( 148) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028490 k( 149) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0028490 k( 150) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028490 k( 151) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028490 k( 152) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028490 k( 153) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0028490 k( 154) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028490 k( 155) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028490 k( 156) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028490 k( 157) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028490 k( 158) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028490 k( 159) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0028490 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 162) = ( 0.0108696 0.0000000 0.5000000), wk = 0.0028490 k( 163) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0028490 k( 164) = ( 0.0326087 -0.0000000 0.5000000), wk = 0.0028490 k( 165) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0028490 k( 166) = ( 0.0543478 0.0000000 0.5000000), wk = 0.0028490 k( 167) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0028490 k( 168) = ( 0.0760870 0.0000000 0.5000000), wk = 0.0028490 k( 169) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0028490 k( 170) = ( 0.0978261 0.0000000 0.5000000), wk = 0.0028490 k( 171) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0028490 k( 172) = ( 0.1195652 0.0000000 0.5000000), wk = 0.0028490 k( 173) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0028490 k( 174) = ( 0.1413043 -0.0000000 0.5000000), wk = 0.0028490 k( 175) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0028490 k( 176) = ( 0.1630435 0.0000000 0.5000000), wk = 0.0028490 k( 177) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0028490 k( 178) = ( 0.1847826 0.0000000 0.5000000), wk = 0.0028490 k( 179) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0028490 k( 180) = ( 0.2065217 0.0000000 0.5000000), wk = 0.0028490 k( 181) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0028490 k( 182) = ( 0.2282609 0.0000000 0.5000000), wk = 0.0028490 k( 183) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0028490 k( 184) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028490 k( 185) = ( 0.2608696 -0.0000000 0.5000000), wk = 0.0028490 k( 186) = ( 0.2717391 -0.0000000 0.5000000), wk = 0.0028490 k( 187) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0028490 k( 188) = ( 0.2934783 0.0000000 0.5000000), wk = 0.0028490 k( 189) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0028490 k( 190) = ( 0.3152174 0.0000000 0.5000000), wk = 0.0028490 k( 191) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0028490 k( 192) = ( 0.3369565 -0.0000000 0.5000000), wk = 0.0028490 k( 193) = ( 0.3478261 -0.0000000 0.5000000), wk = 0.0028490 k( 194) = ( 0.3586956 0.0000000 0.5000000), wk = 0.0028490 k( 195) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0028490 k( 196) = ( 0.3804348 0.0000000 0.5000000), wk = 0.0028490 k( 197) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0028490 k( 198) = ( 0.4021739 0.0000000 0.5000000), wk = 0.0028490 k( 199) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0028490 k( 200) = ( 0.4239130 -0.0000000 0.5000000), wk = 0.0028490 k( 201) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0028490 k( 202) = ( 0.4456522 -0.0000000 0.5000000), wk = 0.0028490 k( 203) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0028490 k( 204) = ( 0.4673913 0.0000000 0.5000000), wk = 0.0028490 k( 205) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0028490 k( 206) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0028490 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 208) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 209) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0028490 k( 210) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0028490 k( 211) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0028490 k( 212) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0028490 k( 213) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0028490 k( 214) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0028490 k( 215) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0028490 k( 216) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0028490 k( 217) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0028490 k( 218) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0028490 k( 219) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0028490 k( 220) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0028490 k( 221) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0028490 k( 222) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0028490 k( 223) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0028490 k( 224) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0028490 k( 225) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0028490 k( 226) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0028490 k( 227) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0028490 k( 228) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0028490 k( 229) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0028490 k( 230) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0028490 k( 231) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0028490 k( 232) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0028490 k( 233) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0028490 k( 234) = ( 0.3395062 0.3209876 0.5000000), wk = 0.0028490 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 k( 237) = ( 0.3270440 0.3270440 0.5000000), wk = 0.0028490 k( 238) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0028490 k( 239) = ( 0.3144654 0.3144654 0.5000000), wk = 0.0028490 k( 240) = ( 0.3081761 0.3081761 0.5000000), wk = 0.0028490 k( 241) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0028490 k( 242) = ( 0.2955975 0.2955975 0.5000000), wk = 0.0028490 k( 243) = ( 0.2893082 0.2893082 0.5000000), wk = 0.0028490 k( 244) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0028490 k( 245) = ( 0.2767296 0.2767296 0.5000000), wk = 0.0028490 k( 246) = ( 0.2704402 0.2704402 0.5000000), wk = 0.0028490 k( 247) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0028490 k( 248) = ( 0.2578616 0.2578616 0.5000000), wk = 0.0028490 k( 249) = ( 0.2515723 0.2515723 0.5000000), wk = 0.0028490 k( 250) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0028490 k( 251) = ( 0.2389937 0.2389937 0.5000000), wk = 0.0028490 k( 252) = ( 0.2327044 0.2327044 0.5000000), wk = 0.0028490 k( 253) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0028490 k( 254) = ( 0.2201258 0.2201258 0.5000000), wk = 0.0028490 k( 255) = ( 0.2138365 0.2138365 0.5000000), wk = 0.0028490 k( 256) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0028490 k( 257) = ( 0.2012579 0.2012579 0.5000000), wk = 0.0028490 k( 258) = ( 0.1949685 0.1949685 0.5000000), wk = 0.0028490 k( 259) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0028490 k( 260) = ( 0.1823899 0.1823899 0.5000000), wk = 0.0028490 k( 261) = ( 0.1761006 0.1761006 0.5000000), wk = 0.0028490 k( 262) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0028490 k( 263) = ( 0.1635220 0.1635220 0.5000000), wk = 0.0028490 k( 264) = ( 0.1572327 0.1572327 0.5000000), wk = 0.0028490 k( 265) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0028490 k( 266) = ( 0.1446541 0.1446541 0.5000000), wk = 0.0028490 k( 267) = ( 0.1383648 0.1383648 0.5000000), wk = 0.0028490 k( 268) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0028490 k( 269) = ( 0.1257862 0.1257862 0.5000000), wk = 0.0028490 k( 270) = ( 0.1194969 0.1194969 0.5000000), wk = 0.0028490 k( 271) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0028490 k( 272) = ( 0.1069182 0.1069182 0.5000000), wk = 0.0028490 k( 273) = ( 0.1006289 0.1006289 0.5000000), wk = 0.0028490 k( 274) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0028490 k( 275) = ( 0.0880503 0.0880503 0.5000000), wk = 0.0028490 k( 276) = ( 0.0817610 0.0817610 0.5000000), wk = 0.0028490 k( 277) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0028490 k( 278) = ( 0.0691824 0.0691824 0.5000000), wk = 0.0028490 k( 279) = ( 0.0628931 0.0628931 0.5000000), wk = 0.0028490 k( 280) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0028490 k( 281) = ( 0.0503145 0.0503145 0.5000000), wk = 0.0028490 k( 282) = ( 0.0440252 0.0440252 0.5000000), wk = 0.0028490 k( 283) = ( 0.0377359 0.0377358 0.5000000), wk = 0.0028490 k( 284) = ( 0.0314465 0.0314465 0.5000000), wk = 0.0028490 k( 285) = ( 0.0251572 0.0251572 0.5000000), wk = 0.0028490 k( 286) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0028490 k( 287) = ( 0.0125786 0.0125786 0.5000000), wk = 0.0028490 k( 288) = ( 0.0062893 0.0062893 0.5000000), wk = 0.0028490 k( 289) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 290) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 291) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0028490 k( 292) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0028490 k( 293) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0028490 k( 294) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0028490 k( 295) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0028490 k( 296) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0028490 k( 297) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0028490 k( 298) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0028490 k( 299) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0028490 k( 300) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0028490 k( 301) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0028490 k( 302) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0028490 k( 303) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0028490 k( 304) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0028490 k( 305) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028490 k( 306) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0028490 k( 307) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0028490 k( 308) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0028490 k( 309) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0028490 k( 310) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0028490 k( 311) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0028490 k( 312) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0028490 k( 313) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0028490 k( 314) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0028490 k( 315) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0028490 k( 316) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0028490 k( 317) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0028490 k( 318) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0028490 k( 319) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0028490 k( 320) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028490 k( 321) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 322) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0028490 k( 323) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0028490 k( 324) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0028490 k( 325) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0028490 k( 326) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0028490 k( 327) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0028490 k( 328) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0028490 k( 329) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0028490 k( 330) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0028490 k( 331) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0028490 k( 332) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0028490 k( 333) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0028490 k( 334) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0028490 k( 335) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0028490 k( 336) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028490 k( 337) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0028490 k( 338) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0028490 k( 339) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0028490 k( 340) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0028490 k( 341) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028490 k( 342) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0028490 k( 343) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0028490 k( 344) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0028490 k( 345) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0028490 k( 346) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0028490 k( 347) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0028490 k( 348) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0028490 k( 349) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0028490 k( 350) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0028490 k( 351) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 Dense grid: 30049 G-vectors FFT dimensions: ( 40, 40, 50) Smooth grid: 18005 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 132, 40) NL pseudopotentials 0.14 Mb ( 66, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 835) G-vector shells 0.00 Mb ( 401) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 132, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 136, 2, 40) The potential is recalculated from file : ./NiTe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 4.0 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 4.9 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.9 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 6.6 secs Computing kpt #: 20 total cpu time spent up to now is 6.8 secs Computing kpt #: 21 total cpu time spent up to now is 7.1 secs Computing kpt #: 22 total cpu time spent up to now is 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 7.9 secs Computing kpt #: 25 total cpu time spent up to now is 8.2 secs Computing kpt #: 26 total cpu time spent up to now is 8.4 secs Computing kpt #: 27 total cpu time spent up to now is 8.7 secs Computing kpt #: 28 total cpu time spent up to now is 9.0 secs Computing kpt #: 29 total cpu time spent up to now is 9.3 secs Computing kpt #: 30 total cpu time spent up to now is 9.6 secs Computing kpt #: 31 total cpu time spent up to now is 9.8 secs Computing kpt #: 32 total cpu time spent up to now is 10.1 secs Computing kpt #: 33 total cpu time spent up to now is 10.4 secs Computing kpt #: 34 total cpu time spent up to now is 10.7 secs Computing kpt #: 35 total cpu time spent up to now is 11.0 secs Computing kpt #: 36 total cpu time spent up to now is 11.2 secs Computing kpt #: 37 total cpu time spent up to now is 11.5 secs Computing kpt #: 38 total cpu time spent up to now is 11.8 secs Computing kpt #: 39 total cpu time spent up to now is 12.0 secs Computing kpt #: 40 total cpu time spent up to now is 12.3 secs Computing kpt #: 41 total cpu time spent up to now is 12.5 secs Computing kpt #: 42 total cpu time spent up to now is 12.8 secs Computing kpt #: 43 total cpu time spent up to now is 13.0 secs Computing kpt #: 44 total cpu time spent up to now is 13.3 secs Computing kpt #: 45 total cpu time spent up to now is 13.6 secs Computing kpt #: 46 total cpu time spent up to now is 13.8 secs Computing kpt #: 47 total cpu time spent up to now is 14.1 secs Computing kpt #: 48 total cpu time spent up to now is 14.4 secs Computing kpt #: 49 total cpu time spent up to now is 14.7 secs Computing kpt #: 50 total cpu time spent up to now is 14.9 secs Computing kpt #: 51 total cpu time spent up to now is 15.2 secs Computing kpt #: 52 total cpu time spent up to now is 15.4 secs Computing kpt #: 53 total cpu time spent up to now is 15.6 secs Computing kpt #: 54 total cpu time spent up to now is 15.8 secs Computing kpt #: 55 total cpu time spent up to now is 16.0 secs Computing kpt #: 56 total cpu time spent up to now is 16.3 secs Computing kpt #: 57 total cpu time spent up to now is 16.5 secs Computing kpt #: 58 total cpu time spent up to now is 16.7 secs Computing kpt #: 59 total cpu time spent up to now is 16.9 secs Computing kpt #: 60 total cpu time spent up to now is 17.1 secs Computing kpt #: 61 total cpu time spent up to now is 17.3 secs Computing kpt #: 62 total cpu time spent up to now is 17.5 secs Computing kpt #: 63 total cpu time spent up to now is 17.8 secs Computing kpt #: 64 total cpu time spent up to now is 18.0 secs Computing kpt #: 65 total cpu time spent up to now is 18.2 secs Computing kpt #: 66 total cpu time spent up to now is 18.4 secs Computing kpt #: 67 total cpu time spent up to now is 18.6 secs Computing kpt #: 68 total cpu time spent up to now is 18.8 secs Computing kpt #: 69 total cpu time spent up to now is 19.0 secs Computing kpt #: 70 total cpu time spent up to now is 19.2 secs Computing kpt #: 71 total cpu time spent up to now is 19.5 secs Computing kpt #: 72 total cpu time spent up to now is 19.7 secs Computing kpt #: 73 total cpu time spent up to now is 19.9 secs Computing kpt #: 74 total cpu time spent up to now is 20.1 secs Computing kpt #: 75 total cpu time spent up to now is 20.3 secs Computing kpt #: 76 total cpu time spent up to now is 20.5 secs Computing kpt #: 77 total cpu time spent up to now is 20.7 secs Computing kpt #: 78 total cpu time spent up to now is 20.9 secs Computing kpt #: 79 total cpu time spent up to now is 21.1 secs Computing kpt #: 80 total cpu time spent up to now is 21.3 secs Computing kpt #: 81 total cpu time spent up to now is 21.6 secs Computing kpt #: 82 total cpu time spent up to now is 21.8 secs Computing kpt #: 83 total cpu time spent up to now is 22.0 secs Computing kpt #: 84 total cpu time spent up to now is 22.2 secs Computing kpt #: 85 total cpu time spent up to now is 22.4 secs Computing kpt #: 86 total cpu time spent up to now is 22.6 secs Computing kpt #: 87 total cpu time spent up to now is 22.8 secs Computing kpt #: 88 total cpu time spent up to now is 23.1 secs Computing kpt #: 89 total cpu time spent up to now is 23.3 secs Computing kpt #: 90 total cpu time spent up to now is 23.5 secs Computing kpt #: 91 total cpu time spent up to now is 23.7 secs Computing kpt #: 92 total cpu time spent up to now is 23.9 secs Computing kpt #: 93 total cpu time spent up to now is 24.1 secs Computing kpt #: 94 total cpu time spent up to now is 24.3 secs Computing kpt #: 95 total cpu time spent up to now is 24.5 secs Computing kpt #: 96 total cpu time spent up to now is 24.8 secs Computing kpt #: 97 total cpu time spent up to now is 25.0 secs Computing kpt #: 98 total cpu time spent up to now is 25.2 secs Computing kpt #: 99 total cpu time spent up to now is 25.4 secs Computing kpt #: 100 total cpu time spent up to now is 25.6 secs Computing kpt #: 101 total cpu time spent up to now is 25.8 secs Computing kpt #: 102 total cpu time spent up to now is 26.1 secs Computing kpt #: 103 total cpu time spent up to now is 26.3 secs Computing kpt #: 104 total cpu time spent up to now is 26.5 secs Computing kpt #: 105 total cpu time spent up to now is 26.8 secs Computing kpt #: 106 total cpu time spent up to now is 27.0 secs Computing kpt #: 107 total cpu time spent up to now is 27.3 secs Computing kpt #: 108 total cpu time spent up to now is 27.6 secs Computing kpt #: 109 total cpu time spent up to now is 27.8 secs Computing kpt #: 110 total cpu time spent up to now is 28.1 secs Computing kpt #: 111 total cpu time spent up to now is 28.4 secs Computing kpt #: 112 total cpu time spent up to now is 28.6 secs Computing kpt #: 113 total cpu time spent up to now is 28.8 secs Computing kpt #: 114 total cpu time spent up to now is 29.0 secs Computing kpt #: 115 total cpu time spent up to now is 29.3 secs Computing kpt #: 116 total cpu time spent up to now is 29.5 secs Computing kpt #: 117 total cpu time spent up to now is 29.7 secs Computing kpt #: 118 total cpu time spent up to now is 30.0 secs Computing kpt #: 119 total cpu time spent up to now is 30.2 secs Computing kpt #: 120 total cpu time spent up to now is 30.5 secs Computing kpt #: 121 total cpu time spent up to now is 30.7 secs Computing kpt #: 122 total cpu time spent up to now is 31.0 secs Computing kpt #: 123 total cpu time spent up to now is 31.2 secs Computing kpt #: 124 total cpu time spent up to now is 31.4 secs Computing kpt #: 125 total cpu time spent up to now is 31.7 secs Computing kpt #: 126 total cpu time spent up to now is 31.9 secs Computing kpt #: 127 total cpu time spent up to now is 32.1 secs Computing kpt #: 128 total cpu time spent up to now is 32.3 secs Computing kpt #: 129 total cpu time spent up to now is 32.5 secs Computing kpt #: 130 total cpu time spent up to now is 32.7 secs Computing kpt #: 131 total cpu time spent up to now is 32.9 secs Computing kpt #: 132 total cpu time spent up to now is 33.1 secs Computing kpt #: 133 total cpu time spent up to now is 33.3 secs Computing kpt #: 134 total cpu time spent up to now is 33.5 secs Computing kpt #: 135 total cpu time spent up to now is 33.7 secs Computing kpt #: 136 total cpu time spent up to now is 33.9 secs Computing kpt #: 137 total cpu time spent up to now is 34.1 secs Computing kpt #: 138 total cpu time spent up to now is 34.4 secs Computing kpt #: 139 total cpu time spent up to now is 34.6 secs Computing kpt #: 140 total cpu time spent up to now is 34.8 secs Computing kpt #: 141 total cpu time spent up to now is 35.0 secs Computing kpt #: 142 total cpu time spent up to now is 35.2 secs Computing kpt #: 143 total cpu time spent up to now is 35.4 secs Computing kpt #: 144 total cpu time spent up to now is 35.7 secs Computing kpt #: 145 total cpu time spent up to now is 35.9 secs Computing kpt #: 146 total cpu time spent up to now is 36.1 secs Computing kpt #: 147 total cpu time spent up to now is 36.3 secs Computing kpt #: 148 total cpu time spent up to now is 36.6 secs Computing kpt #: 149 total cpu time spent up to now is 36.8 secs Computing kpt #: 150 total cpu time spent up to now is 37.1 secs Computing kpt #: 151 total cpu time spent up to now is 37.3 secs Computing kpt #: 152 total cpu time spent up to now is 37.6 secs Computing kpt #: 153 total cpu time spent up to now is 37.9 secs Computing kpt #: 154 total cpu time spent up to now is 38.2 secs Computing kpt #: 155 total cpu time spent up to now is 38.5 secs Computing kpt #: 156 total cpu time spent up to now is 38.7 secs Computing kpt #: 157 total cpu time spent up to now is 39.0 secs Computing kpt #: 158 total cpu time spent up to now is 39.3 secs Computing kpt #: 159 total cpu time spent up to now is 39.5 secs Computing kpt #: 160 total cpu time spent up to now is 39.8 secs Computing kpt #: 161 total cpu time spent up to now is 40.1 secs Computing kpt #: 162 total cpu time spent up to now is 40.3 secs Computing kpt #: 163 total cpu time spent up to now is 40.6 secs Computing kpt #: 164 total cpu time spent up to now is 40.9 secs Computing kpt #: 165 total cpu time spent up to now is 41.1 secs Computing kpt #: 166 total cpu time spent up to now is 41.4 secs Computing kpt #: 167 total cpu time spent up to now is 41.7 secs Computing kpt #: 168 total cpu time spent up to now is 41.9 secs Computing kpt #: 169 total cpu time spent up to now is 42.2 secs Computing kpt #: 170 total cpu time spent up to now is 42.4 secs Computing kpt #: 171 total cpu time spent up to now is 42.7 secs Computing kpt #: 172 total cpu time spent up to now is 42.9 secs Computing kpt #: 173 total cpu time spent up to now is 43.1 secs Computing kpt #: 174 total cpu time spent up to now is 43.4 secs Computing kpt #: 175 total cpu time spent up to now is 43.6 secs Computing kpt #: 176 total cpu time spent up to now is 43.9 secs Computing kpt #: 177 total cpu time spent up to now is 44.1 secs Computing kpt #: 178 total cpu time spent up to now is 44.3 secs Computing kpt #: 179 total cpu time spent up to now is 44.5 secs Computing kpt #: 180 total cpu time spent up to now is 44.8 secs Computing kpt #: 181 total cpu time spent up to now is 45.0 secs Computing kpt #: 182 total cpu time spent up to now is 45.2 secs Computing kpt #: 183 total cpu time spent up to now is 45.4 secs Computing kpt #: 184 total cpu time spent up to now is 45.7 secs Computing kpt #: 185 total cpu time spent up to now is 45.9 secs Computing kpt #: 186 total cpu time spent up to now is 46.1 secs Computing kpt #: 187 total cpu time spent up to now is 46.3 secs Computing kpt #: 188 total cpu time spent up to now is 46.5 secs Computing kpt #: 189 total cpu time spent up to now is 46.7 secs Computing kpt #: 190 total cpu time spent up to now is 46.9 secs Computing kpt #: 191 total cpu time spent up to now is 47.1 secs Computing kpt #: 192 total cpu time spent up to now is 47.3 secs Computing kpt #: 193 total cpu time spent up to now is 47.5 secs Computing kpt #: 194 total cpu time spent up to now is 47.7 secs Computing kpt #: 195 total cpu time spent up to now is 48.0 secs Computing kpt #: 196 total cpu time spent up to now is 48.2 secs Computing kpt #: 197 total cpu time spent up to now is 48.4 secs Computing kpt #: 198 total cpu time spent up to now is 48.6 secs Computing kpt #: 199 total cpu time spent up to now is 48.8 secs Computing kpt #: 200 total cpu time spent up to now is 49.0 secs Computing kpt #: 201 total cpu time spent up to now is 49.2 secs Computing kpt #: 202 total cpu time spent up to now is 49.4 secs Computing kpt #: 203 total cpu time spent up to now is 49.6 secs Computing kpt #: 204 total cpu time spent up to now is 49.8 secs Computing kpt #: 205 total cpu time spent up to now is 50.0 secs Computing kpt #: 206 total cpu time spent up to now is 50.2 secs Computing kpt #: 207 total cpu time spent up to now is 50.4 secs Computing kpt #: 208 total cpu time spent up to now is 50.6 secs Computing kpt #: 209 total cpu time spent up to now is 50.8 secs Computing kpt #: 210 total cpu time spent up to now is 51.0 secs Computing kpt #: 211 total cpu time spent up to now is 51.2 secs Computing kpt #: 212 total cpu time spent up to now is 51.4 secs Computing kpt #: 213 total cpu time spent up to now is 51.6 secs Computing kpt #: 214 total cpu time spent up to now is 51.8 secs Computing kpt #: 215 total cpu time spent up to now is 52.0 secs Computing kpt #: 216 total cpu time spent up to now is 52.2 secs Computing kpt #: 217 total cpu time spent up to now is 52.4 secs Computing kpt #: 218 total cpu time spent up to now is 52.6 secs Computing kpt #: 219 total cpu time spent up to now is 52.8 secs Computing kpt #: 220 total cpu time spent up to now is 53.1 secs Computing kpt #: 221 total cpu time spent up to now is 53.3 secs Computing kpt #: 222 total cpu time spent up to now is 53.5 secs Computing kpt #: 223 total cpu time spent up to now is 53.7 secs Computing kpt #: 224 total cpu time spent up to now is 54.0 secs Computing kpt #: 225 total cpu time spent up to now is 54.2 secs Computing kpt #: 226 total cpu time spent up to now is 54.4 secs Computing kpt #: 227 total cpu time spent up to now is 54.7 secs Computing kpt #: 228 total cpu time spent up to now is 54.9 secs Computing kpt #: 229 total cpu time spent up to now is 55.2 secs Computing kpt #: 230 total cpu time spent up to now is 55.4 secs Computing kpt #: 231 total cpu time spent up to now is 55.7 secs Computing kpt #: 232 total cpu time spent up to now is 56.0 secs Computing kpt #: 233 total cpu time spent up to now is 56.2 secs Computing kpt #: 234 total cpu time spent up to now is 56.5 secs Computing kpt #: 235 total cpu time spent up to now is 56.8 secs Computing kpt #: 236 total cpu time spent up to now is 57.1 secs Computing kpt #: 237 total cpu time spent up to now is 57.4 secs Computing kpt #: 238 total cpu time spent up to now is 57.7 secs Computing kpt #: 239 total cpu time spent up to now is 58.0 secs Computing kpt #: 240 total cpu time spent up to now is 58.2 secs Computing kpt #: 241 total cpu time spent up to now is 58.5 secs Computing kpt #: 242 total cpu time spent up to now is 58.8 secs Computing kpt #: 243 total cpu time spent up to now is 59.0 secs Computing kpt #: 244 total cpu time spent up to now is 59.3 secs Computing kpt #: 245 total cpu time spent up to now is 59.5 secs Computing kpt #: 246 total cpu time spent up to now is 59.8 secs Computing kpt #: 247 total cpu time spent up to now is 60.0 secs Computing kpt #: 248 total cpu time spent up to now is 60.3 secs Computing kpt #: 249 total cpu time spent up to now is 60.5 secs Computing kpt #: 250 total cpu time spent up to now is 60.7 secs Computing kpt #: 251 total cpu time spent up to now is 61.0 secs Computing kpt #: 252 total cpu time spent up to now is 61.2 secs Computing kpt #: 253 total cpu time spent up to now is 61.4 secs Computing kpt #: 254 total cpu time spent up to now is 61.6 secs Computing kpt #: 255 total cpu time spent up to now is 61.9 secs Computing kpt #: 256 total cpu time spent up to now is 62.1 secs Computing kpt #: 257 total cpu time spent up to now is 62.3 secs Computing kpt #: 258 total cpu time spent up to now is 62.5 secs Computing kpt #: 259 total cpu time spent up to now is 62.8 secs Computing kpt #: 260 total cpu time spent up to now is 63.0 secs Computing kpt #: 261 total cpu time spent up to now is 63.2 secs Computing kpt #: 262 total cpu time spent up to now is 63.5 secs Computing kpt #: 263 total cpu time spent up to now is 63.8 secs Computing kpt #: 264 total cpu time spent up to now is 64.1 secs Computing kpt #: 265 total cpu time spent up to now is 64.4 secs Computing kpt #: 266 total cpu time spent up to now is 64.7 secs Computing kpt #: 267 total cpu time spent up to now is 64.9 secs Computing kpt #: 268 total cpu time spent up to now is 65.2 secs Computing kpt #: 269 total cpu time spent up to now is 65.4 secs Computing kpt #: 270 total cpu time spent up to now is 65.6 secs Computing kpt #: 271 total cpu time spent up to now is 65.9 secs Computing kpt #: 272 total cpu time spent up to now is 66.1 secs Computing kpt #: 273 total cpu time spent up to now is 66.3 secs Computing kpt #: 274 total cpu time spent up to now is 66.6 secs Computing kpt #: 275 total cpu time spent up to now is 66.8 secs Computing kpt #: 276 total cpu time spent up to now is 67.1 secs Computing kpt #: 277 total cpu time spent up to now is 67.3 secs Computing kpt #: 278 total cpu time spent up to now is 67.6 secs Computing kpt #: 279 total cpu time spent up to now is 67.8 secs Computing kpt #: 280 total cpu time spent up to now is 68.1 secs Computing kpt #: 281 total cpu time spent up to now is 68.3 secs Computing kpt #: 282 total cpu time spent up to now is 68.6 secs Computing kpt #: 283 total cpu time spent up to now is 68.8 secs Computing kpt #: 284 total cpu time spent up to now is 69.1 secs Computing kpt #: 285 total cpu time spent up to now is 69.4 secs Computing kpt #: 286 total cpu time spent up to now is 69.6 secs Computing kpt #: 287 total cpu time spent up to now is 69.9 secs Computing kpt #: 288 total cpu time spent up to now is 70.2 secs Computing kpt #: 289 total cpu time spent up to now is 70.4 secs Computing kpt #: 290 total cpu time spent up to now is 70.6 secs Computing kpt #: 291 total cpu time spent up to now is 70.8 secs Computing kpt #: 292 total cpu time spent up to now is 71.1 secs Computing kpt #: 293 total cpu time spent up to now is 71.3 secs Computing kpt #: 294 total cpu time spent up to now is 71.5 secs Computing kpt #: 295 total cpu time spent up to now is 71.7 secs Computing kpt #: 296 total cpu time spent up to now is 71.9 secs Computing kpt #: 297 total cpu time spent up to now is 72.1 secs Computing kpt #: 298 total cpu time spent up to now is 72.3 secs Computing kpt #: 299 total cpu time spent up to now is 72.5 secs Computing kpt #: 300 total cpu time spent up to now is 72.7 secs Computing kpt #: 301 total cpu time spent up to now is 72.9 secs Computing kpt #: 302 total cpu time spent up to now is 73.1 secs Computing kpt #: 303 total cpu time spent up to now is 73.3 secs Computing kpt #: 304 total cpu time spent up to now is 73.5 secs Computing kpt #: 305 total cpu time spent up to now is 73.7 secs Computing kpt #: 306 total cpu time spent up to now is 73.9 secs Computing kpt #: 307 total cpu time spent up to now is 74.1 secs Computing kpt #: 308 total cpu time spent up to now is 74.3 secs Computing kpt #: 309 total cpu time spent up to now is 74.5 secs Computing kpt #: 310 total cpu time spent up to now is 74.7 secs Computing kpt #: 311 total cpu time spent up to now is 75.0 secs Computing kpt #: 312 total cpu time spent up to now is 75.2 secs Computing kpt #: 313 total cpu time spent up to now is 75.4 secs Computing kpt #: 314 total cpu time spent up to now is 75.6 secs Computing kpt #: 315 total cpu time spent up to now is 75.9 secs Computing kpt #: 316 total cpu time spent up to now is 76.1 secs Computing kpt #: 317 total cpu time spent up to now is 76.4 secs Computing kpt #: 318 total cpu time spent up to now is 76.6 secs Computing kpt #: 319 total cpu time spent up to now is 76.9 secs Computing kpt #: 320 total cpu time spent up to now is 77.2 secs Computing kpt #: 321 total cpu time spent up to now is 77.4 secs Computing kpt #: 322 total cpu time spent up to now is 77.6 secs Computing kpt #: 323 total cpu time spent up to now is 77.8 secs Computing kpt #: 324 total cpu time spent up to now is 78.0 secs Computing kpt #: 325 total cpu time spent up to now is 78.2 secs Computing kpt #: 326 total cpu time spent up to now is 78.4 secs Computing kpt #: 327 total cpu time spent up to now is 78.6 secs Computing kpt #: 328 total cpu time spent up to now is 78.8 secs Computing kpt #: 329 total cpu time spent up to now is 79.0 secs Computing kpt #: 330 total cpu time spent up to now is 79.2 secs Computing kpt #: 331 total cpu time spent up to now is 79.5 secs Computing kpt #: 332 total cpu time spent up to now is 79.7 secs Computing kpt #: 333 total cpu time spent up to now is 79.9 secs Computing kpt #: 334 total cpu time spent up to now is 80.1 secs Computing kpt #: 335 total cpu time spent up to now is 80.3 secs Computing kpt #: 336 total cpu time spent up to now is 80.5 secs Computing kpt #: 337 total cpu time spent up to now is 80.7 secs Computing kpt #: 338 total cpu time spent up to now is 81.0 secs Computing kpt #: 339 total cpu time spent up to now is 81.2 secs Computing kpt #: 340 total cpu time spent up to now is 81.4 secs Computing kpt #: 341 total cpu time spent up to now is 81.7 secs Computing kpt #: 342 total cpu time spent up to now is 82.0 secs Computing kpt #: 343 total cpu time spent up to now is 82.2 secs Computing kpt #: 344 total cpu time spent up to now is 83.0 secs Computing kpt #: 345 total cpu time spent up to now is 83.3 secs Computing kpt #: 346 total cpu time spent up to now is 83.6 secs Computing kpt #: 347 total cpu time spent up to now is 84.0 secs Computing kpt #: 348 total cpu time spent up to now is 84.3 secs Computing kpt #: 349 total cpu time spent up to now is 84.6 secs Computing kpt #: 350 total cpu time spent up to now is 84.9 secs Computing kpt #: 351 total cpu time spent up to now is 85.2 secs ethr = 3.13E-08, avg # of iterations = 16.5 total cpu time spent up to now is 85.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2223 PWs) bands (ev): -3.2351 -3.2351 -0.0616 -0.0616 4.0353 4.0353 6.6509 6.6509 6.8956 6.8956 8.1664 8.1664 8.6971 8.6971 8.6987 8.6987 8.9952 8.9952 9.1304 9.1304 9.6669 9.6669 9.7793 9.7793 9.8603 9.8603 10.3887 10.3887 10.8696 10.8696 12.3804 12.3804 12.4495 12.4495 12.6331 12.6331 13.3019 13.3019 14.7440 14.7440 k = 0.0109 0.0063-0.0000 ( 2235 PWs) bands (ev): -3.2338 -3.2338 -0.0615 -0.0615 4.0369 4.0369 6.6503 6.6503 6.8950 6.8950 8.1650 8.1650 8.6943 8.6943 8.6968 8.6968 8.9939 8.9939 9.1294 9.1294 9.6648 9.6648 9.7794 9.7794 9.8604 9.8604 10.3827 10.3827 10.8693 10.8693 12.3761 12.3761 12.4465 12.4465 12.6262 12.6262 13.3230 13.3230 14.7536 14.7536 k = 0.0217 0.0126-0.0000 ( 2235 PWs) bands (ev): -3.2300 -3.2300 -0.0612 -0.0612 4.0414 4.0414 6.6486 6.6486 6.8937 6.8937 8.1611 8.1611 8.6859 8.6859 8.6914 8.6914 8.9899 8.9899 9.1268 9.1268 9.6587 9.6587 9.7798 9.7798 9.8607 9.8607 10.3651 10.3651 10.8682 10.8682 12.3614 12.3614 12.4373 12.4373 12.6119 12.6119 13.3816 13.3816 14.7819 14.7819 k = 0.0326 0.0188-0.0000 ( 2235 PWs) bands (ev): -3.2236 -3.2236 -0.0607 -0.0607 4.0490 4.0490 6.6457 6.6457 6.8915 6.8915 8.1542 8.1542 8.6719 8.6719 8.6825 8.6825 8.9829 8.9829 9.1231 9.1231 9.6486 9.6486 9.7803 9.7803 9.8612 9.8612 10.3375 10.3375 10.8664 10.8664 12.3316 12.3316 12.4241 12.4241 12.6019 12.6019 13.4672 13.4672 14.8286 14.8286 k = 0.0435 0.0251-0.0000 ( 2235 PWs) bands (ev): -3.2147 -3.2147 -0.0599 -0.0599 4.0597 4.0597 6.6416 6.6416 6.8886 6.8886 8.1440 8.1440 8.6522 8.6522 8.6702 8.6702 8.9728 8.9728 9.1189 9.1189 9.6348 9.6348 9.7809 9.7809 9.8616 9.8616 10.3020 10.3020 10.8638 10.8638 12.2845 12.2845 12.4114 12.4114 12.6013 12.6013 13.5706 13.5706 14.8923 14.8923 k = 0.0543 0.0314-0.0000 ( 2237 PWs) bands (ev): -3.2032 -3.2032 -0.0590 -0.0590 4.0734 4.0734 6.6359 6.6359 6.8850 6.8850 8.1295 8.1295 8.6269 8.6269 8.6546 8.6546 8.9591 8.9591 9.1151 9.1151 9.6176 9.6176 9.7812 9.7812 9.8617 9.8617 10.2611 10.2611 10.8604 10.8604 12.2245 12.2245 12.4008 12.4008 12.6090 12.6090 13.6846 13.6846 14.9714 14.9714 k = 0.0652 0.0377-0.0000 ( 2237 PWs) bands (ev): -3.1892 -3.1892 -0.0580 -0.0580 4.0901 4.0901 6.6285 6.6285 6.8810 6.8810 8.1099 8.1099 8.5967 8.5967 8.6357 8.6357 8.9421 8.9421 9.1121 9.1121 9.5971 9.5971 9.7813 9.7813 9.8614 9.8614 10.2174 10.2174 10.8562 10.8562 12.1571 12.1571 12.3918 12.3918 12.6223 12.6223 13.8045 13.8045 15.0633 15.0633 k = 0.0761 0.0439-0.0000 ( 2237 PWs) bands (ev): -3.1727 -3.1727 -0.0569 -0.0569 4.1098 4.1098 6.6192 6.6192 6.8766 6.8766 8.0835 8.0835 8.5627 8.5627 8.6138 8.6138 8.9219 8.9219 9.1105 9.1105 9.5739 9.5739 9.7812 9.7812 9.8606 9.8606 10.1731 10.1731 10.8511 10.8511 12.0861 12.0861 12.3839 12.3839 12.6391 12.6391 13.9265 13.9265 15.1640 15.1640 k = 0.0870 0.0502-0.0000 ( 2245 PWs) bands (ev): -3.1537 -3.1537 -0.0557 -0.0557 4.1324 4.1324 6.6076 6.6076 6.8720 6.8720 8.0486 8.0486 8.5265 8.5265 8.5890 8.5890 8.8987 8.8987 9.1102 9.1102 9.5486 9.5486 9.7806 9.7806 9.8591 9.8591 10.1299 10.1299 10.8450 10.8450 12.0132 12.0132 12.3767 12.3767 12.6580 12.6580 14.0476 14.0476 15.2676 15.2676 k = 0.0978 0.0565-0.0000 ( 2251 PWs) bands (ev): -3.1322 -3.1322 -0.0545 -0.0545 4.1581 4.1581 6.5933 6.5933 6.8675 6.8675 8.0037 8.0037 8.4900 8.4900 8.5615 8.5615 8.8732 8.8732 9.1112 9.1112 9.5218 9.5218 9.7799 9.7799 9.8571 9.8571 10.0889 10.0889 10.8380 10.8380 11.9397 11.9397 12.3700 12.3700 12.6781 12.6781 14.1650 14.1650 15.3658 15.3658 k = 0.1087 0.0628-0.0000 ( 2255 PWs) bands (ev): -3.1082 -3.1082 -0.0533 -0.0533 4.1867 4.1867 6.5759 6.5759 6.8632 6.8632 7.9477 7.9477 8.4554 8.4554 8.5320 8.5320 8.8453 8.8453 9.1136 9.1136 9.4943 9.4943 9.7790 9.7790 9.8544 9.8544 10.0505 10.0505 10.8300 10.8300 11.8659 11.8659 12.3635 12.3635 12.6989 12.6989 14.2761 14.2761 15.4493 15.4493 k = 0.1196 0.0690-0.0000 ( 2255 PWs) bands (ev): -3.0818 -3.0818 -0.0522 -0.0522 4.2183 4.2183 6.5549 6.5549 6.8592 6.8592 7.8803 7.8803 8.4238 8.4238 8.5006 8.5006 8.8154 8.8154 9.1170 9.1170 9.4671 9.4671 9.7779 9.7779 9.8511 9.8511 10.0148 10.0148 10.8208 10.8208 11.7921 11.7921 12.3569 12.3569 12.7198 12.7198 14.3780 14.3780 15.5124 15.5124 k = 0.1304 0.0753-0.0000 ( 2253 PWs) bands (ev): -3.0529 -3.0529 -0.0513 -0.0513 4.2527 4.2527 6.5299 6.5299 6.8558 6.8558 7.8029 7.8029 8.3953 8.3953 8.4683 8.4683 8.7837 8.7837 9.1215 9.1215 9.4407 9.4407 9.7767 9.7767 9.8471 9.8471 9.9817 9.9817 10.8105 10.8105 11.7187 11.7187 12.3498 12.3498 12.7405 12.7405 14.4672 14.4672 15.5578 15.5578 k = 0.1413 0.0816-0.0000 ( 2255 PWs) bands (ev): -3.0217 -3.0217 -0.0507 -0.0507 4.2900 4.2900 6.5001 6.5001 6.8529 6.8529 7.7174 7.7174 8.3687 8.3687 8.4360 8.4360 8.7503 8.7503 9.1269 9.1269 9.4155 9.4155 9.7753 9.7753 9.8418 9.8418 9.9513 9.9513 10.7988 10.7988 11.6455 11.6455 12.3418 12.3418 12.7609 12.7609 14.5402 14.5402 15.5949 15.5949 k = 0.1522 0.0879-0.0000 ( 2251 PWs) bands (ev): -2.9881 -2.9881 -0.0504 -0.0504 4.3302 4.3302 6.4648 6.4648 6.8504 6.8504 7.6266 7.6266 8.3419 8.3419 8.4058 8.4058 8.7154 8.7154 9.1333 9.1333 9.3919 9.3919 9.7738 9.7738 9.8345 9.8345 9.9239 9.9239 10.7858 10.7858 11.5728 11.5728 12.3322 12.3322 12.7808 12.7808 14.5942 14.5942 15.6333 15.6333 k = 0.1630 0.0941-0.0000 ( 2251 PWs) bands (ev): -2.9522 -2.9522 -0.0505 -0.0505 4.3731 4.3731 6.4234 6.4234 6.8485 6.8485 7.5335 7.5335 8.3120 8.3120 8.3799 8.3799 8.6790 8.6790 9.1403 9.1403 9.3700 9.3700 9.7722 9.7722 9.8238 9.8238 9.9006 9.9006 10.7712 10.7712 11.5007 11.5007 12.3206 12.3206 12.8003 12.8003 14.6277 14.6277 15.6789 15.6789 k = 0.1739 0.1004-0.0000 ( 2253 PWs) bands (ev): -2.9140 -2.9140 -0.0511 -0.0511 4.4188 4.4188 6.3750 6.3750 6.8469 6.8469 7.4409 7.4409 8.2777 8.2777 8.3592 8.3592 8.6414 8.6414 9.1478 9.1478 9.3500 9.3500 9.7704 9.7704 9.8080 9.8080 9.8829 9.8829 10.7549 10.7549 11.4292 11.4292 12.3064 12.3064 12.8193 12.8193 14.6417 14.6417 15.7329 15.7329 k = 0.1848 0.1067-0.0000 ( 2249 PWs) bands (ev): -2.8735 -2.8735 -0.0523 -0.0523 4.4671 4.4671 6.3189 6.3189 6.8456 6.8456 7.3517 7.3517 8.2396 8.2396 8.3428 8.3428 8.6025 8.6025 9.1559 9.1559 9.3316 9.3316 9.7686 9.7686 9.7871 9.7871 9.8709 9.8709 10.7366 10.7366 11.3585 11.3585 12.2892 12.2892 12.8379 12.8379 14.6389 14.6389 15.7922 15.7922 k = 0.1957 0.1130-0.0000 ( 2253 PWs) bands (ev): -2.8309 -2.8309 -0.0543 -0.0543 4.5181 4.5181 6.2545 6.2545 6.8441 6.8441 7.2681 7.2681 8.1991 8.1991 8.3291 8.3291 8.5625 8.5625 9.1645 9.1645 9.3147 9.3147 9.7615 9.7615 9.7674 9.7674 9.8630 9.8630 10.7163 10.7163 11.2886 11.2886 12.2687 12.2687 12.8563 12.8563 14.6232 14.6232 15.8510 15.8510 k = 0.2065 0.1192-0.0000 ( 2247 PWs) bands (ev): -2.7861 -2.7861 -0.0571 -0.0571 4.5716 4.5716 6.1816 6.1816 6.8421 6.8421 7.1924 7.1924 8.1570 8.1570 8.3173 8.3173 8.5215 8.5215 9.1735 9.1735 9.2994 9.2994 9.7346 9.7346 9.7651 9.7651 9.8577 9.8577 10.6936 10.6936 11.2198 11.2198 12.2445 12.2445 12.8745 12.8745 14.5982 14.5982 15.9017 15.9017 k = 0.2174 0.1255-0.0000 ( 2243 PWs) bands (ev): -2.7392 -2.7392 -0.0608 -0.0608 4.6275 4.6275 6.1005 6.1005 6.8388 6.8388 7.1261 7.1261 8.1140 8.1140 8.3064 8.3064 8.4797 8.4797 9.1829 9.1829 9.2854 9.2854 9.7062 9.7062 9.7631 9.7631 9.8537 9.8537 10.6685 10.6685 11.1521 11.1521 12.2166 12.2166 12.8926 12.8926 14.5671 14.5671 15.9343 15.9343 k = 0.2283 0.1318-0.0000 ( 2239 PWs) bands (ev): -2.6902 -2.6902 -0.0657 -0.0657 4.6858 4.6858 6.0119 6.0119 6.8332 6.8332 7.0705 7.0705 8.0703 8.0703 8.2961 8.2961 8.4372 8.4372 9.1924 9.1924 9.2725 9.2725 9.6772 9.6772 9.7612 9.7612 9.8507 9.8507 10.6405 10.6405 11.0858 11.0858 12.1852 12.1852 12.9107 12.9107 14.5322 14.5322 15.9356 15.9356 k = 0.2391 0.1381-0.0000 ( 2239 PWs) bands (ev): -2.6393 -2.6393 -0.0718 -0.0718 4.7461 4.7461 5.9173 5.9173 6.8238 6.8238 7.0267 7.0267 8.0263 8.0263 8.2860 8.2860 8.3941 8.3941 9.2020 9.2020 9.2607 9.2607 9.6480 9.6480 9.7592 9.7592 9.8482 9.8482 10.6096 10.6096 11.0210 11.0210 12.1506 12.1506 12.9288 12.9288 14.4955 14.4955 15.9016 15.9016 k = 0.2500 0.1443-0.0000 ( 2243 PWs) bands (ev): -2.5865 -2.5865 -0.0792 -0.0792 4.8083 4.8083 5.8182 5.8182 6.8097 6.8097 6.9953 6.9953 7.9822 7.9822 8.2756 8.2756 8.3506 8.3506 9.2110 9.2110 9.2503 9.2503 9.6187 9.6187 9.7572 9.7572 9.8461 9.8461 10.5755 10.5755 10.9579 10.9579 12.1133 12.1133 12.9469 12.9469 14.4582 14.4582 15.8531 15.8531 k = 0.2609 0.1506-0.0000 ( 2243 PWs) bands (ev): -2.5319 -2.5319 -0.0881 -0.0881 4.8719 4.8719 5.7165 5.7165 6.7908 6.7908 6.9756 6.9756 7.9381 7.9381 8.2640 8.2640 8.3078 8.3078 9.2183 9.2183 9.2423 9.2423 9.5896 9.5896 9.7551 9.7551 9.8443 9.8443 10.5381 10.5381 10.8968 10.8968 12.0739 12.0739 12.9650 12.9650 14.4213 14.4213 15.8048 15.8048 k = 0.2717 0.1569-0.0000 ( 2251 PWs) bands (ev): -2.4756 -2.4756 -0.0987 -0.0987 4.9360 4.9360 5.6144 5.6144 6.7684 6.7684 6.9651 6.9651 7.8942 7.8942 8.2450 8.2450 8.2717 8.2717 9.2191 9.2191 9.2412 9.2412 9.5610 9.5610 9.7531 9.7531 9.8428 9.8428 10.4972 10.4972 10.8378 10.8378 12.0332 12.0332 12.9830 12.9830 14.3854 14.3854 15.7610 15.7610 k = 0.2826 0.1632-0.0000 ( 2255 PWs) bands (ev): -2.4177 -2.4177 -0.1110 -0.1110 4.9988 4.9988 5.5150 5.5150 6.7447 6.7447 6.9613 6.9613 7.8506 7.8506 8.2072 8.2072 8.2535 8.2535 9.2128 9.2128 9.2478 9.2478 9.5328 9.5328 9.7511 9.7511 9.8414 9.8414 10.4529 10.4529 10.7811 10.7811 11.9918 11.9918 13.0007 13.0007 14.3511 14.3511 15.7226 15.7226 k = 0.2935 0.1694-0.0000 ( 2259 PWs) bands (ev): -2.3582 -2.3582 -0.1252 -0.1252 5.0555 5.0555 5.4241 5.4241 6.7212 6.7212 6.9619 6.9619 7.8073 7.8073 8.1623 8.1623 8.2416 8.2416 9.2044 9.2044 9.2567 9.2567 9.5054 9.5054 9.7491 9.7491 9.8403 9.8403 10.4051 10.4051 10.7269 10.7269 11.9506 11.9506 13.0183 13.0183 14.3186 14.3186 15.6896 15.6896 k = 0.3043 0.1757-0.0000 ( 2259 PWs) bands (ev): -2.2973 -2.2973 -0.1414 -0.1414 5.0919 5.0919 5.3571 5.3571 6.6988 6.6988 6.9657 6.9657 7.7645 7.7645 8.1156 8.1156 8.2307 8.2307 9.1956 9.1956 9.2661 9.2661 9.4788 9.4788 9.7469 9.7469 9.8392 9.8392 10.3542 10.3542 10.6755 10.6755 11.9103 11.9103 13.0354 13.0354 14.2882 14.2882 15.6615 15.6615 k = 0.3152 0.1820-0.0000 ( 2257 PWs) bands (ev): -2.2352 -2.2352 -0.1597 -0.1597 5.0786 5.0786 5.3437 5.3437 6.6779 6.6779 6.9717 6.9717 7.7222 7.7222 8.0677 8.0677 8.2200 8.2200 9.1866 9.1866 9.2756 9.2756 9.4533 9.4533 9.7450 9.7450 9.8382 9.8382 10.3004 10.3004 10.6269 10.6269 11.8714 11.8714 13.0521 13.0521 14.2600 14.2600 15.6375 15.6375 k = 0.3261 0.1883-0.0000 ( 2254 PWs) bands (ev): -2.1720 -2.1720 -0.1802 -0.1802 5.0167 5.0167 5.3836 5.3836 6.6588 6.6588 6.9795 6.9795 7.6804 7.6804 8.0189 8.0189 8.2092 8.2092 9.1777 9.1777 9.2846 9.2846 9.4290 9.4290 9.7430 9.7430 9.8375 9.8375 10.2441 10.2441 10.5812 10.5812 11.8344 11.8344 13.0683 13.0683 14.2341 14.2341 15.6157 15.6157 k = 0.3370 0.1945-0.0000 ( 2258 PWs) bands (ev): -2.1078 -2.1078 -0.2029 -0.2029 4.9363 4.9363 5.4471 5.4471 6.6415 6.6415 6.9887 6.9887 7.6390 7.6390 7.9692 7.9692 8.1982 8.1982 9.1688 9.1688 9.2934 9.2934 9.4058 9.4058 9.7410 9.7410 9.8368 9.8368 10.1860 10.1860 10.5386 10.5386 11.7997 11.7997 13.0838 13.0838 14.2105 14.2105 15.5904 15.5904 k = 0.3478 0.2008-0.0000 ( 2256 PWs) bands (ev): -2.0429 -2.0429 -0.2280 -0.2280 4.8521 4.8521 5.5199 5.5199 6.6262 6.6262 6.9991 6.9991 7.5981 7.5981 7.9186 7.9186 8.1871 8.1871 9.1599 9.1599 9.3017 9.3017 9.3842 9.3842 9.7389 9.7389 9.8362 9.8362 10.1269 10.1269 10.4990 10.4990 11.7675 11.7675 13.0987 13.0987 14.1891 14.1891 15.5507 15.5507 k = 0.3587 0.2071-0.0000 ( 2262 PWs) bands (ev): -1.9774 -1.9774 -0.2554 -0.2554 4.7692 4.7692 5.5969 5.5969 6.6130 6.6130 7.0107 7.0107 7.5574 7.5574 7.8670 7.8670 8.1759 8.1759 9.1511 9.1511 9.3086 9.3086 9.3648 9.3648 9.7366 9.7366 9.8355 9.8355 10.0674 10.0674 10.4626 10.4626 11.7379 11.7379 13.1127 13.1127 14.1700 14.1700 15.5017 15.5017 k = 0.3696 0.2134-0.0000 ( 2266 PWs) bands (ev): -1.9117 -1.9117 -0.2850 -0.2850 4.6898 4.6898 5.6761 5.6761 6.6019 6.6019 7.0234 7.0234 7.5169 7.5169 7.8146 7.8146 8.1648 8.1648 9.1424 9.1424 9.3129 9.3129 9.3490 9.3490 9.7341 9.7341 9.8350 9.8350 10.0087 10.0087 10.4292 10.4292 11.7111 11.7111 13.1259 13.1259 14.1530 14.1530 15.4519 15.4519 k = 0.3804 0.2196-0.0000 ( 2262 PWs) bands (ev): -1.8460 -1.8460 -0.3168 -0.3168 4.6150 4.6150 5.7564 5.7564 6.5932 6.5932 7.0371 7.0371 7.4764 7.4764 7.7614 7.7614 8.1538 8.1538 9.1339 9.1339 9.3103 9.3103 9.3410 9.3410 9.7312 9.7312 9.8345 9.8345 9.9517 9.9517 10.3991 10.3991 11.6870 11.6870 13.1383 13.1383 14.1381 14.1381 15.4038 15.4038 k = 0.3913 0.2259-0.0000 ( 2260 PWs) bands (ev): -1.7806 -1.7806 -0.3506 -0.3506 4.5454 4.5454 5.8367 5.8367 6.5871 6.5871 7.0518 7.0518 7.4355 7.4355 7.7077 7.7077 8.1431 8.1431 9.1257 9.1257 9.2997 9.2997 9.3419 9.3419 9.7274 9.7274 9.8339 9.8339 9.8979 9.8979 10.3719 10.3719 11.6656 11.6656 13.1496 13.1496 14.1251 14.1251 15.3583 15.3583 k = 0.4022 0.2322-0.0000 ( 2266 PWs) bands (ev): -1.7160 -1.7160 -0.3862 -0.3862 4.4815 4.4815 5.9160 5.9160 6.5841 6.5841 7.0675 7.0675 7.3937 7.3937 7.6539 7.6539 8.1328 8.1328 9.1178 9.1178 9.2869 9.2869 9.3459 9.3459 9.7217 9.7217 9.8319 9.8319 9.8504 9.8504 10.3477 10.3477 11.6466 11.6466 13.1600 13.1600 14.1140 14.1140 15.3161 15.3161 k = 0.4130 0.2385-0.0000 ( 2266 PWs) bands (ev): -1.6528 -1.6528 -0.4231 -0.4231 4.4237 4.4237 5.9932 5.9932 6.5849 6.5849 7.0843 7.0843 7.3505 7.3505 7.6004 7.6004 8.1230 8.1230 9.1103 9.1103 9.2745 9.2745 9.3503 9.3503 9.7120 9.7120 9.8055 9.8055 9.8352 9.8352 10.3264 10.3264 11.6301 11.6301 13.1694 13.1694 14.1045 14.1045 15.2774 15.2774 k = 0.4239 0.2447-0.0000 ( 2260 PWs) bands (ev): -1.5915 -1.5915 -0.4609 -0.4609 4.3721 4.3721 6.0665 6.0665 6.5906 6.5906 7.1022 7.1022 7.3051 7.3051 7.5482 7.5482 8.1139 8.1139 9.1035 9.1035 9.2633 9.2633 9.3545 9.3545 9.6950 9.6950 9.7768 9.7768 9.8344 9.8344 10.3080 10.3080 11.6159 11.6159 13.1778 13.1778 14.0966 14.0966 15.2426 15.2426 k = 0.4348 0.2510-0.0000 ( 2264 PWs) bands (ev): -1.5330 -1.5330 -0.4989 -0.4989 4.3271 4.3271 6.1340 6.1340 6.6028 6.6028 7.1212 7.1212 7.2569 7.2569 7.4980 7.4980 8.1056 8.1056 9.0972 9.0972 9.2533 9.2533 9.3581 9.3581 9.6701 9.6701 9.7604 9.7604 9.8340 9.8340 10.2922 10.2922 11.6038 11.6038 13.1851 13.1851 14.0901 14.0901 15.2118 15.2118 k = 0.4457 0.2573-0.0000 ( 2266 PWs) bands (ev): -1.4784 -1.4784 -0.5359 -0.5359 4.2888 4.2888 6.1931 6.1931 6.6233 6.6233 7.1414 7.1414 7.2051 7.2051 7.4507 7.4507 8.0983 8.0983 9.0916 9.0916 9.2449 9.2449 9.3610 9.3610 9.6429 9.6429 9.7521 9.7521 9.8338 9.8338 10.2791 10.2791 11.5938 11.5938 13.1913 13.1913 14.0849 14.0849 15.1855 15.1855 k = 0.4565 0.2636-0.0000 ( 2268 PWs) bands (ev): -1.4291 -1.4291 -0.5707 -0.5707 4.2574 4.2574 6.2414 6.2414 6.6535 6.6535 7.1495 7.1495 7.1631 7.1631 7.4069 7.4069 8.0921 8.0921 9.0871 9.0871 9.2380 9.2380 9.3630 9.3630 9.6178 9.6178 9.7476 9.7476 9.8337 9.8337 10.2685 10.2685 11.5856 11.5856 13.1963 13.1963 14.0808 14.0808 15.1636 15.1636 k = 0.4674 0.2698-0.0000 ( 2270 PWs) bands (ev): -1.3870 -1.3870 -0.6015 -0.6015 4.2328 4.2328 6.2775 6.2775 6.6937 6.6937 7.0915 7.0915 7.1857 7.1857 7.3669 7.3669 8.0871 8.0871 9.0835 9.0835 9.2327 9.2327 9.3644 9.3644 9.5973 9.5973 9.7451 9.7451 9.8336 9.8336 10.2603 10.2603 11.5795 11.5795 13.2003 13.2003 14.0778 14.0778 15.1464 15.1464 k = 0.4783 0.2761-0.0000 ( 2274 PWs) bands (ev): -1.3543 -1.3543 -0.6261 -0.6261 4.2151 4.2151 6.3016 6.3016 6.7414 6.7414 7.0327 7.0327 7.2099 7.2099 7.3306 7.3306 8.0835 8.0835 9.0808 9.0808 9.2288 9.2288 9.3653 9.3653 9.5823 9.5823 9.7435 9.7435 9.8334 9.8334 10.2545 10.2545 11.5751 11.5751 13.2031 13.2031 14.0757 14.0757 15.1340 15.1340 k = 0.4891 0.2824-0.0000 ( 2278 PWs) bands (ev): -1.3334 -1.3334 -0.6421 -0.6421 4.2046 4.2046 6.3151 6.3151 6.7890 6.7890 6.9792 6.9792 7.2352 7.2352 7.2981 7.2981 8.0813 8.0813 9.0790 9.0790 9.2264 9.2264 9.3657 9.3657 9.5732 9.5732 9.7427 9.7427 9.8333 9.8333 10.2510 10.2510 11.5725 11.5725 13.2048 13.2048 14.0745 14.0745 15.1266 15.1266 k = 0.5000 0.2887-0.0000 ( 2278 PWs) bands (ev): -1.3261 -1.3261 -0.6477 -0.6477 4.2010 4.2010 6.3195 6.3195 6.8140 6.8140 6.9524 6.9524 7.2546 7.2546 7.2764 7.2764 8.0806 8.0806 9.0784 9.0784 9.2256 9.2256 9.3659 9.3659 9.5701 9.5701 9.7424 9.7424 9.8333 9.8333 10.2499 10.2499 11.5716 11.5716 13.2054 13.2054 14.0741 14.0741 15.1241 15.1241 k = 0.5000 0.2887-0.0000 ( 2278 PWs) bands (ev): -1.3261 -1.3261 -0.6477 -0.6477 4.2010 4.2010 6.3195 6.3195 6.8140 6.8140 6.9524 6.9524 7.2546 7.2546 7.2764 7.2764 8.0806 8.0806 9.0784 9.0784 9.2256 9.2256 9.3659 9.3659 9.5701 9.5701 9.7424 9.7424 9.8333 9.8333 10.2499 10.2499 11.5716 11.5716 13.2054 13.2054 14.0741 14.0741 15.1241 15.1241 k = 0.4938 0.2994-0.0000 ( 2278 PWs) bands (ev): -1.3253 -1.3253 -0.6475 -0.6475 4.2007 4.2007 6.3183 6.3183 6.8125 6.8125 6.9536 6.9536 7.2521 7.2521 7.2696 7.2696 8.0895 8.0895 9.0792 9.0792 9.2260 9.2260 9.3668 9.3668 9.5700 9.5700 9.7425 9.7425 9.8333 9.8333 10.2516 10.2516 11.5695 11.5695 13.1879 13.1879 14.0794 14.0794 15.1433 15.1433 k = 0.4877 0.3101-0.0000 ( 2270 PWs) bands (ev): -1.3229 -1.3229 -0.6467 -0.6467 4.1997 4.1997 6.3146 6.3146 6.8081 6.8081 6.9573 6.9573 7.2258 7.2258 7.2699 7.2699 8.1147 8.1147 9.0814 9.0814 9.2271 9.2271 9.3698 9.3698 9.5696 9.5696 9.7427 9.7427 9.8333 9.8333 10.2566 10.2566 11.5630 11.5630 13.1377 13.1377 14.0956 14.0956 15.1723 15.1723 k = 0.4815 0.3208-0.0000 ( 2266 PWs) bands (ev): -1.3189 -1.3189 -0.6456 -0.6456 4.1980 4.1980 6.3083 6.3083 6.8013 6.8013 6.9629 6.9629 7.1777 7.1777 7.2798 7.2798 8.1517 8.1517 9.0849 9.0849 9.2290 9.2290 9.3746 9.3746 9.5689 9.5689 9.7429 9.7429 9.8332 9.8332 10.2649 10.2649 11.5520 11.5520 13.0601 13.0601 14.1227 14.1227 15.0339 15.0339 k = 0.4753 0.3314-0.0000 ( 2264 PWs) bands (ev): -1.3133 -1.3133 -0.6439 -0.6439 4.1956 4.1956 6.2994 6.2994 6.7922 6.7922 6.9702 6.9702 7.1182 7.1182 7.2942 7.2942 8.1957 8.1957 9.0896 9.0896 9.2317 9.2317 9.3813 9.3813 9.5680 9.5680 9.7432 9.7432 9.8328 9.8328 10.2765 10.2765 11.5364 11.5364 12.9621 12.9621 14.1610 14.1610 14.8648 14.8648 k = 0.4691 0.3421-0.0000 ( 2260 PWs) bands (ev): -1.3061 -1.3061 -0.6420 -0.6420 4.1922 4.1922 6.2876 6.2876 6.7807 6.7807 6.9782 6.9782 7.0538 7.0538 7.3121 7.3121 8.2425 8.2425 9.0953 9.0953 9.2353 9.2353 9.3900 9.3900 9.5669 9.5669 9.7436 9.7436 9.8325 9.8325 10.2912 10.2912 11.5162 11.5162 12.8498 12.8498 14.2105 14.2105 14.6998 14.6998 k = 0.4630 0.3528-0.0000 ( 2256 PWs) bands (ev): -1.2973 -1.2973 -0.6398 -0.6398 4.1878 4.1878 6.2727 6.2727 6.7655 6.7655 6.9777 6.9777 6.9993 6.9993 7.3328 7.3328 8.2895 8.2895 9.1015 9.1015 9.2397 9.2397 9.4004 9.4004 9.5656 9.5656 9.7441 9.7441 9.8321 9.8321 10.3089 10.3089 11.4909 11.4909 12.7283 12.7283 14.2709 14.2709 14.5415 14.5415 k = 0.4568 0.3635-0.0000 ( 2256 PWs) bands (ev): -1.2869 -1.2869 -0.6373 -0.6373 4.1823 4.1823 6.2545 6.2545 6.7437 6.7437 6.9275 6.9275 7.0024 7.0024 7.3559 7.3559 8.3345 8.3345 9.1078 9.1078 9.2450 9.2450 9.4126 9.4126 9.5642 9.5642 9.7447 9.7447 9.8316 9.8316 10.3293 10.3293 11.4606 11.4606 12.6014 12.6014 14.3369 14.3369 14.3961 14.3961 k = 0.4506 0.3742-0.0000 ( 2256 PWs) bands (ev): -1.2751 -1.2751 -0.6348 -0.6348 4.1754 4.1754 6.2328 6.2328 6.7109 6.7109 6.8837 6.8837 7.0136 7.0136 7.3808 7.3808 8.3764 8.3764 9.1141 9.1141 9.2510 9.2510 9.4265 9.4265 9.5627 9.5627 9.7453 9.7453 9.8309 9.8309 10.3522 10.3522 11.4250 11.4250 12.4719 12.4719 14.2421 14.2421 14.4305 14.4305 k = 0.4444 0.3849-0.0000 ( 2262 PWs) bands (ev): -1.2617 -1.2617 -0.6323 -0.6323 4.1671 4.1671 6.2075 6.2075 6.6662 6.6662 6.8562 6.8562 7.0261 7.0261 7.4070 7.4070 8.4145 8.4145 9.1199 9.1199 9.2576 9.2576 9.4417 9.4417 9.5614 9.5614 9.7460 9.7460 9.8302 9.8302 10.3772 10.3772 11.3838 11.3838 12.3418 12.3418 14.1077 14.1077 14.5240 14.5240 k = 0.4383 0.3956-0.0000 ( 2256 PWs) bands (ev): -1.2468 -1.2468 -0.6300 -0.6300 4.1570 4.1570 6.1786 6.1786 6.6146 6.6146 6.8420 6.8420 7.0393 7.0393 7.4343 7.4343 8.4488 8.4488 9.1254 9.1254 9.2650 9.2650 9.4580 9.4580 9.5608 9.5608 9.7468 9.7468 9.8293 9.8293 10.4040 10.4040 11.3371 11.3371 12.2129 12.2129 13.9813 13.9813 14.6292 14.6292 k = 0.4321 0.4063-0.0000 ( 2250 PWs) bands (ev): -1.2304 -1.2304 -0.6279 -0.6279 4.1452 4.1452 6.1465 6.1465 6.5621 6.5621 6.8361 6.8361 7.0531 7.0531 7.4622 7.4622 8.4794 8.4794 9.1300 9.1300 9.2725 9.2725 9.4746 9.4746 9.5615 9.5615 9.7477 9.7477 9.8284 9.8284 10.4321 10.4321 11.2848 11.2848 12.0862 12.0862 13.8640 13.8640 14.7453 14.7453 k = 0.4259 0.4170-0.0000 ( 2250 PWs) bands (ev): -1.2127 -1.2127 -0.6264 -0.6264 4.1315 4.1315 6.1119 6.1119 6.5121 6.5121 6.8357 6.8357 7.0672 7.0672 7.4903 7.4903 8.5061 8.5061 9.1338 9.1338 9.2799 9.2799 9.4897 9.4897 9.5652 9.5652 9.7487 9.7487 9.8274 9.8274 10.4612 10.4612 11.2271 11.2271 11.9627 11.9627 13.7561 13.7561 14.8718 14.8718 k = 0.4198 0.4277-0.0000 ( 2254 PWs) bands (ev): -1.1935 -1.1935 -0.6256 -0.6256 4.1159 4.1159 6.0757 6.0757 6.4662 6.4662 6.8390 6.8390 7.0813 7.0813 7.5184 7.5184 8.5295 8.5295 9.1369 9.1369 9.2870 9.2870 9.5010 9.5010 9.5740 9.5740 9.7498 9.7498 9.8264 9.8264 10.4906 10.4906 11.1641 11.1641 11.8432 11.8432 13.6578 13.6578 15.0082 15.0082 k = 0.4136 0.4384-0.0000 ( 2254 PWs) bands (ev): -1.1730 -1.1730 -0.6257 -0.6257 4.0982 4.0982 6.0393 6.0393 6.4246 6.4246 6.8453 6.8453 7.0954 7.0954 7.5460 7.5460 8.5499 8.5499 9.1392 9.1392 9.2935 9.2935 9.5071 9.5071 9.5896 9.5896 9.7512 9.7512 9.8253 9.8253 10.5202 10.5202 11.0964 11.0964 11.7284 11.7284 13.5689 13.5689 15.1541 15.1541 k = 0.4074 0.4491-0.0000 ( 2254 PWs) bands (ev): -1.1512 -1.1512 -0.6268 -0.6268 4.0788 4.0788 6.0040 6.0040 6.3871 6.3871 6.8541 6.8541 7.1091 7.1091 7.5730 7.5730 8.5675 8.5675 9.1410 9.1410 9.2993 9.2993 9.5086 9.5086 9.6112 9.6112 9.7530 9.7530 9.8241 9.8241 10.5494 10.5494 11.0246 11.0246 11.6188 11.6188 13.4895 13.4895 15.3087 15.3087 k = 0.4012 0.4597-0.0000 ( 2254 PWs) bands (ev): -1.1281 -1.1281 -0.6293 -0.6293 4.0578 4.0578 5.9709 5.9709 6.3533 6.3533 6.8651 6.8651 7.1221 7.1221 7.5991 7.5991 8.5828 8.5828 9.1422 9.1422 9.3043 9.3043 9.5071 9.5071 9.6365 9.6365 9.7556 9.7556 9.8231 9.8231 10.5778 10.5778 10.9495 10.9495 11.5150 11.5150 13.4191 13.4191 15.4715 15.4715 k = 0.3951 0.4704-0.0000 ( 2250 PWs) bands (ev): -1.1038 -1.1038 -0.6333 -0.6333 4.0355 4.0355 5.9411 5.9411 6.3225 6.3225 6.8779 6.8779 7.1340 7.1340 7.6238 7.6238 8.5961 8.5961 9.1431 9.1431 9.3085 9.3085 9.5039 9.5039 9.6637 9.6637 9.7594 9.7594 9.8223 9.8223 10.6049 10.6049 10.8723 10.8723 11.4175 11.4175 13.3573 13.3573 15.6414 15.6414 k = 0.3889 0.4811-0.0000 ( 2250 PWs) bands (ev): -1.0783 -1.0783 -0.6391 -0.6391 4.0123 4.0123 5.9153 5.9153 6.2946 6.2946 6.8925 6.8925 7.1444 7.1444 7.6470 7.6470 8.6074 8.6074 9.1434 9.1434 9.3117 9.3117 9.4997 9.4997 9.6902 9.6902 9.7663 9.7663 9.8220 9.8220 10.6296 10.6296 10.7949 10.7949 11.3266 11.3266 13.3037 13.3037 15.8173 15.8173 k = 0.3827 0.4918-0.0000 ( 2254 PWs) bands (ev): -1.0518 -1.0518 -0.6470 -0.6470 3.9889 3.9889 5.8938 5.8938 6.2690 6.2690 6.9087 6.9087 7.1529 7.1529 7.6685 7.6685 8.6171 8.6171 9.1435 9.1435 9.3141 9.3141 9.4950 9.4950 9.7121 9.7121 9.7788 9.7788 9.8228 9.8228 10.6448 10.6448 10.7251 10.7251 11.2428 11.2428 13.2578 13.2578 15.9979 15.9979 k = 0.3765 0.5025-0.0000 ( 2254 PWs) bands (ev): -1.0242 -1.0242 -0.6571 -0.6571 3.9657 3.9657 5.8766 5.8766 6.2457 6.2457 6.9264 6.9264 7.1592 7.1592 7.6878 7.6878 8.6253 8.6253 9.1433 9.1433 9.3157 9.3157 9.4899 9.4899 9.7261 9.7261 9.7968 9.7968 9.8284 9.8284 10.6111 10.6111 10.7035 10.7035 11.1663 11.1663 13.2188 13.2188 16.1811 16.1811 k = 0.3704 0.5132-0.0000 ( 2254 PWs) bands (ev): -0.9956 -0.9956 -0.6698 -0.6698 3.9435 3.9435 5.8637 5.8637 6.2247 6.2247 6.9454 6.9454 7.1627 7.1627 7.7049 7.7049 8.6323 8.6323 9.1429 9.1429 9.3167 9.3167 9.4848 9.4848 9.7334 9.7334 9.8078 9.8078 9.8497 9.8497 10.5397 10.5397 10.7197 10.7197 11.0974 11.0974 13.1864 13.1864 16.3643 16.3643 k = 0.3642 0.5239-0.0000 ( 2262 PWs) bands (ev): -0.9662 -0.9662 -0.6851 -0.6851 3.9230 3.9230 5.8547 5.8547 6.2059 6.2059 6.9656 6.9656 7.1629 7.1629 7.7195 7.7195 8.6379 8.6379 9.1423 9.1423 9.3170 9.3170 9.4798 9.4798 9.7372 9.7372 9.8104 9.8104 9.8845 9.8845 10.4649 10.4649 10.7406 10.7406 11.0363 11.0363 13.1600 13.1600 16.5434 16.5434 k = 0.3580 0.5346-0.0000 ( 2258 PWs) bands (ev): -0.9359 -0.9359 -0.7034 -0.7034 3.9049 3.9049 5.8491 5.8491 6.1896 6.1896 6.9869 6.9869 7.1595 7.1595 7.7315 7.7315 8.6425 8.6425 9.1419 9.1419 9.3170 9.3170 9.4753 9.4753 9.7394 9.7394 9.8111 9.8111 9.9248 9.9248 10.3924 10.3924 10.7617 10.7617 10.9831 10.9831 13.1392 13.1392 16.7123 16.7123 k = 0.3519 0.5453-0.0000 ( 2254 PWs) bands (ev): -0.9049 -0.9049 -0.7247 -0.7247 3.8898 3.8898 5.8462 5.8462 6.1762 6.1762 7.0089 7.0089 7.1522 7.1522 7.7408 7.7408 8.6460 8.6460 9.1415 9.1415 9.3168 9.3168 9.4713 9.4713 9.7407 9.7407 9.8112 9.8112 9.9674 9.9674 10.3241 10.3241 10.7822 10.7822 10.9380 10.9380 13.1236 13.1236 16.8615 16.8615 k = 0.3457 0.5560-0.0000 ( 2248 PWs) bands (ev): -0.8733 -0.8733 -0.7492 -0.7492 3.8783 3.8783 5.8451 5.8451 6.1660 6.1660 7.0311 7.0311 7.1411 7.1411 7.7473 7.7473 8.6484 8.6484 9.1411 9.1411 9.3163 9.3163 9.4683 9.4683 9.7414 9.7414 9.8111 9.8111 10.0105 10.0105 10.2626 10.2626 10.8015 10.8015 10.9013 10.9013 13.1127 13.1127 16.9784 16.9784 k = 0.3395 0.5667-0.0000 ( 2250 PWs) bands (ev): -0.8410 -0.8410 -0.7771 -0.7771 3.8711 3.8711 5.8451 5.8451 6.1594 6.1594 7.0516 7.0516 7.1276 7.1276 7.7512 7.7512 8.6498 8.6498 9.1408 9.1408 9.3159 9.3159 9.4664 9.4664 9.7418 9.7418 9.8110 9.8110 10.0493 10.0493 10.2126 10.2126 10.8183 10.8183 10.8739 10.8739 13.1064 13.1064 17.0503 17.0503 k = 0.3333 0.5774-0.0000 ( 2250 PWs) bands (ev): -0.8085 -0.8085 -0.8081 -0.8081 3.8686 3.8686 5.8453 5.8453 6.1572 6.1572 7.0623 7.0623 7.1192 7.1192 7.7524 7.7524 8.6503 8.6503 9.1407 9.1407 9.3157 9.3157 9.4657 9.4657 9.7418 9.7418 9.8109 9.8109 10.0681 10.0681 10.1900 10.1900 10.8265 10.8265 10.8622 10.8622 13.1043 13.1043 17.0731 17.0731 k = 0.3333 0.5774-0.0000 ( 2250 PWs) bands (ev): -0.8085 -0.8085 -0.8081 -0.8081 3.8686 3.8686 5.8453 5.8453 6.1572 6.1572 7.0623 7.0623 7.1192 7.1192 7.7524 7.7524 8.6503 8.6503 9.1407 9.1407 9.3157 9.3157 9.4657 9.4657 9.7418 9.7418 9.8109 9.8109 10.0681 10.0681 10.1900 10.1900 10.8265 10.8265 10.8622 10.8622 13.1043 13.1043 17.0731 17.0731 k = 0.3270 0.5665-0.0000 ( 2246 PWs) bands (ev): -0.8436 -0.8436 -0.7746 -0.7746 3.8713 3.8713 5.8449 5.8449 6.1597 6.1597 7.0488 7.0488 7.1302 7.1302 7.7512 7.7512 8.6498 8.6498 9.1408 9.1408 9.3160 9.3160 9.4664 9.4664 9.7418 9.7418 9.8110 9.8110 10.0501 10.0501 10.2121 10.2121 10.8209 10.8209 10.8715 10.8715 13.1064 13.1064 17.0536 17.0536 k = 0.3208 0.5556-0.0000 ( 2250 PWs) bands (ev): -0.8824 -0.8824 -0.7406 -0.7406 3.8797 3.8797 5.8433 5.8433 6.1671 6.1671 7.0177 7.0177 7.1536 7.1536 7.7479 7.7479 8.6483 8.6483 9.1411 9.1411 9.3167 9.3167 9.4685 9.4685 9.7416 9.7416 9.8111 9.8111 10.0164 10.0164 10.2580 10.2580 10.8146 10.8146 10.8881 10.8881 13.1126 13.1126 17.0047 17.0047 k = 0.3145 0.5447-0.0000 ( 2248 PWs) bands (ev): -0.9247 -0.9247 -0.7063 -0.7063 3.8942 3.8942 5.8403 5.8403 6.1795 6.1795 6.9775 6.9775 7.1810 7.1810 7.7428 7.7428 8.6458 8.6458 9.1415 9.1415 9.3183 9.3183 9.4719 9.4719 9.7415 9.7415 9.8112 9.8112 9.9831 9.9831 10.3122 10.3122 10.8134 10.8134 10.9064 10.9064 13.1227 13.1227 16.9378 16.9378 k = 0.3082 0.5338-0.0000 ( 2242 PWs) bands (ev): -0.9702 -0.9702 -0.6721 -0.6721 3.9148 3.9148 5.8359 5.8359 6.1965 6.1965 6.9305 6.9305 7.2102 7.2102 7.7363 7.7363 8.6424 8.6424 9.1420 9.1420 9.3207 9.3207 9.4762 9.4762 9.7416 9.7416 9.8113 9.8113 9.9546 9.9546 10.3702 10.3702 10.8180 10.8180 10.9255 10.9255 13.1369 13.1369 16.8610 16.8610 k = 0.3019 0.5229-0.0000 ( 2246 PWs) bands (ev): -1.0189 -1.0189 -0.6378 -0.6378 3.9417 3.9417 5.8302 5.8302 6.2174 6.2174 6.8777 6.8777 7.2405 7.2405 7.7291 7.7291 8.6379 8.6379 9.1426 9.1426 9.3240 9.3240 9.4808 9.4808 9.7417 9.7417 9.8112 9.8112 9.9323 9.9323 10.4305 10.4305 10.8282 10.8282 10.9450 10.9450 13.1549 13.1549 16.7790 16.7790 k = 0.2956 0.5120-0.0000 ( 2242 PWs) bands (ev): -1.0706 -1.0706 -0.6037 -0.6037 3.9750 3.9750 5.8237 5.8237 6.2414 6.2414 6.8199 6.8199 7.2716 7.2716 7.7215 7.7215 8.6325 8.6325 9.1434 9.1434 9.3284 9.3284 9.4848 9.4848 9.7423 9.7423 9.8111 9.8111 9.9172 9.9172 10.4927 10.4927 10.8438 10.8438 10.9651 10.9651 13.1769 13.1769 16.6947 16.6947 k = 0.2893 0.5011-0.0000 ( 2246 PWs) bands (ev): -1.1251 -1.1251 -0.5699 -0.5699 4.0146 4.0146 5.8167 5.8167 6.2677 6.2677 6.7580 6.7580 7.3032 7.3032 7.7142 7.7142 8.6262 8.6262 9.1442 9.1442 9.3338 9.3338 9.4874 9.4874 9.7431 9.7431 9.8110 9.8110 9.9095 9.9095 10.5562 10.5562 10.8645 10.8645 10.9859 10.9859 13.2028 13.2028 16.6101 16.6101 k = 0.2830 0.4902-0.0000 ( 2242 PWs) bands (ev): -1.1821 -1.1821 -0.5364 -0.5364 4.0605 4.0605 5.8095 5.8095 6.2951 6.2951 6.6934 6.6934 7.3351 7.3351 7.7077 7.7077 8.6189 8.6189 9.1451 9.1451 9.3403 9.3403 9.4880 9.4880 9.7441 9.7441 9.8113 9.8113 9.9096 9.9096 10.6207 10.6207 10.8900 10.8900 11.0076 11.0076 13.2328 13.2328 16.5263 16.5263 k = 0.2767 0.4793-0.0000 ( 2246 PWs) bands (ev): -1.2414 -1.2414 -0.5035 -0.5035 4.1125 4.1125 5.8024 5.8024 6.3217 6.3217 6.6281 6.6281 7.3669 7.3669 7.7026 7.7026 8.6108 8.6108 9.1462 9.1462 9.3479 9.3479 9.4861 9.4861 9.7449 9.7449 9.8121 9.8121 9.9171 9.9171 10.6855 10.6855 10.9202 10.9202 11.0303 11.0303 13.2669 13.2669 16.4441 16.4441 k = 0.2704 0.4684-0.0000 ( 2258 PWs) bands (ev): -1.3027 -1.3027 -0.4712 -0.4712 4.1706 4.1706 5.7953 5.7953 6.3436 6.3436 6.5665 6.5665 7.3983 7.3983 7.6996 7.6996 8.6019 8.6019 9.1472 9.1472 9.3564 9.3564 9.4817 9.4817 9.7453 9.7453 9.8133 9.8133 9.9317 9.9317 10.7502 10.7502 10.9549 10.9549 11.0543 11.0543 13.3052 13.3052 16.3641 16.3641 k = 0.2642 0.4575-0.0000 ( 2258 PWs) bands (ev): -1.3657 -1.3657 -0.4396 -0.4396 4.2346 4.2346 5.7884 5.7884 6.3501 6.3501 6.5196 6.5196 7.4288 7.4288 7.6994 7.6994 8.5923 8.5923 9.1486 9.1486 9.3659 9.3659 9.4750 9.4750 9.7454 9.7454 9.8150 9.8150 9.9527 9.9527 10.8138 10.8138 10.9945 10.9945 11.0798 11.0798 13.3480 13.3480 16.2866 16.2866 k = 0.2579 0.4466-0.0000 ( 2260 PWs) bands (ev): -1.4302 -1.4302 -0.4088 -0.4088 4.3042 4.3042 5.7814 5.7814 6.3246 6.3246 6.5049 6.5049 7.4578 7.4578 7.7029 7.7029 8.5821 8.5821 9.1504 9.1504 9.3762 9.3762 9.4664 9.4664 9.7453 9.7453 9.8169 9.8169 9.9793 9.9793 10.8751 10.8751 11.0393 11.0393 11.1069 11.1069 13.3952 13.3952 16.2119 16.2119 k = 0.2516 0.4357-0.0000 ( 2264 PWs) bands (ev): -1.4959 -1.4959 -0.3790 -0.3790 4.3793 4.3793 5.7736 5.7736 6.2717 6.2717 6.5186 6.5186 7.4845 7.4845 7.7109 7.7109 8.5714 8.5714 9.1525 9.1525 9.3870 9.3870 9.4567 9.4567 9.7451 9.7451 9.8187 9.8187 10.0103 10.0103 10.9333 10.9333 11.0897 11.0897 11.1359 11.1359 13.4470 13.4470 16.1403 16.1403 k = 0.2453 0.4248-0.0000 ( 2268 PWs) bands (ev): -1.5625 -1.5625 -0.3502 -0.3502 4.4595 4.4595 5.7641 5.7641 6.2092 6.2092 6.5446 6.5446 7.5085 7.5085 7.7241 7.7241 8.5602 8.5602 9.1548 9.1548 9.3978 9.3978 9.4467 9.4467 9.7449 9.7449 9.8206 9.8206 10.0447 10.0447 10.9875 10.9875 11.1457 11.1457 11.1670 11.1670 13.5036 13.5036 16.0718 16.0718 k = 0.2390 0.4139-0.0000 ( 2268 PWs) bands (ev): -1.6298 -1.6298 -0.3225 -0.3225 4.5446 4.5446 5.7509 5.7509 6.1472 6.1472 6.5749 6.5749 7.5294 7.5294 7.7430 7.7430 8.5488 8.5488 9.1577 9.1577 9.4064 9.4064 9.4387 9.4387 9.7448 9.7448 9.8224 9.8224 10.0817 10.0817 11.0376 11.0376 11.1983 11.1983 11.2090 11.2090 13.5652 13.5652 16.0065 16.0065 k = 0.2327 0.4031-0.0000 ( 2264 PWs) bands (ev): -1.6975 -1.6975 -0.2961 -0.2961 4.6343 4.6343 5.7313 5.7313 6.0915 6.0915 6.6067 6.6067 7.5476 7.5476 7.7674 7.7674 8.5372 8.5372 9.1608 9.1608 9.4065 9.4065 9.4396 9.4396 9.7448 9.7448 9.8242 9.8242 10.1205 10.1205 11.0843 11.0843 11.2341 11.2341 11.2740 11.2740 13.6318 13.6318 15.9447 15.9447 k = 0.2264 0.3922-0.0000 ( 2252 PWs) bands (ev): -1.7655 -1.7655 -0.2709 -0.2709 4.7283 4.7283 5.7022 5.7022 6.0471 6.0471 6.6387 6.6387 7.5638 7.5638 7.7966 7.7966 8.5256 8.5256 9.1643 9.1643 9.3976 9.3976 9.4500 9.4500 9.7450 9.7450 9.8261 9.8261 10.1604 10.1604 11.1285 11.1285 11.2712 11.2712 11.3426 11.3426 13.7035 13.7035 15.8863 15.8863 k = 0.2201 0.3813-0.0000 ( 2256 PWs) bands (ev): -1.8334 -1.8334 -0.2471 -0.2471 4.8259 4.8259 5.6615 5.6615 6.0169 6.0169 6.6703 6.6703 7.5789 7.5789 7.8295 7.8295 8.5140 8.5140 9.1682 9.1682 9.3853 9.3853 9.4638 9.4638 9.7452 9.7452 9.8278 9.8278 10.2008 10.2008 11.1706 11.1706 11.3100 11.3100 11.4132 11.4132 13.7805 13.7805 15.8314 15.8314 k = 0.2138 0.3704-0.0000 ( 2256 PWs) bands (ev): -1.9011 -1.9011 -0.2246 -0.2246 4.9265 4.9265 5.6104 5.6104 6.0011 6.0011 6.7010 6.7010 7.5938 7.5938 7.8654 7.8654 8.5026 8.5026 9.1726 9.1726 9.3721 9.3721 9.4792 9.4792 9.7456 9.7456 9.8295 9.8295 10.2413 10.2413 11.2114 11.2114 11.3504 11.3504 11.4848 11.4848 13.8629 13.8629 15.7800 15.7800 k = 0.2075 0.3595-0.0000 ( 2256 PWs) bands (ev): -1.9684 -1.9684 -0.2037 -0.2037 5.0286 5.0286 5.5526 5.5526 5.9972 5.9972 6.7306 6.7306 7.6093 7.6093 7.9037 7.9037 8.4915 8.4915 9.1772 9.1772 9.3584 9.3584 9.4956 9.4956 9.7461 9.7461 9.8312 9.8312 10.2815 10.2815 11.2511 11.2511 11.3922 11.3922 11.5568 11.5568 13.9507 13.9507 15.7322 15.7322 k = 0.2013 0.3486-0.0000 ( 2252 PWs) bands (ev): -2.0351 -2.0351 -0.1841 -0.1841 5.1285 5.1285 5.4948 5.4948 6.0024 6.0024 6.7590 6.7590 7.6260 7.6260 7.9437 7.9437 8.4809 8.4809 9.1821 9.1821 9.3448 9.3448 9.5126 9.5126 9.7468 9.7468 9.8329 9.8329 10.3210 10.3210 11.2898 11.2898 11.4352 11.4352 11.6286 11.6286 14.0440 14.0440 15.6881 15.6881 k = 0.1950 0.3377-0.0000 ( 2248 PWs) bands (ev): -2.1010 -2.1010 -0.1660 -0.1660 5.2135 5.2135 5.4519 5.4519 6.0145 6.0145 6.7860 6.7860 7.6442 7.6442 7.9851 7.9851 8.4707 8.4707 9.1875 9.1875 9.3309 9.3309 9.5303 9.5303 9.7476 9.7476 9.8346 9.8346 10.3596 10.3596 11.3276 11.3276 11.4793 11.4793 11.6999 11.6999 14.1427 14.1427 15.6476 15.6476 k = 0.1887 0.3268-0.0000 ( 2252 PWs) bands (ev): -2.1659 -2.1659 -0.1495 -0.1495 5.2430 5.2430 5.4656 5.4656 6.0318 6.0318 6.8116 6.8116 7.6642 7.6642 8.0275 8.0275 8.4612 8.4612 9.1932 9.1932 9.3171 9.3171 9.5485 9.5485 9.7485 9.7485 9.8363 9.8363 10.3971 10.3971 11.3642 11.3642 11.5247 11.5247 11.7701 11.7701 14.2469 14.2469 15.6109 15.6109 k = 0.1824 0.3159-0.0000 ( 2254 PWs) bands (ev): -2.2298 -2.2298 -0.1344 -0.1344 5.2064 5.2064 5.5473 5.5473 6.0535 6.0535 6.8358 6.8358 7.6863 7.6863 8.0707 8.0707 8.4523 8.4523 9.1991 9.1991 9.3035 9.3035 9.5672 9.5672 9.7495 9.7495 9.8380 9.8380 10.4332 10.4332 11.3995 11.3995 11.5712 11.5712 11.8389 11.8389 14.3566 14.3566 15.5779 15.5779 k = 0.1761 0.3050-0.0000 ( 2258 PWs) bands (ev): -2.2925 -2.2925 -0.1207 -0.1207 5.1461 5.1461 5.6547 5.6547 6.0790 6.0790 6.8589 6.8589 7.7104 7.7104 8.1144 8.1144 8.4444 8.4444 9.2055 9.2055 9.2898 9.2898 9.5864 9.5864 9.7509 9.7509 9.8400 9.8400 10.4679 10.4679 11.4332 11.4332 11.6190 11.6190 11.9059 11.9059 14.4716 14.4716 15.5487 15.5487 k = 0.1698 0.2941-0.0000 ( 2254 PWs) bands (ev): -2.3538 -2.3538 -0.1085 -0.1085 5.0796 5.0796 5.7698 5.7698 6.1080 6.1080 6.8810 6.8810 7.7370 7.7370 8.1585 8.1585 8.4374 8.4374 9.2121 9.2121 9.2768 9.2768 9.6060 9.6060 9.7522 9.7522 9.8420 9.8420 10.5010 10.5010 11.4651 11.4651 11.6681 11.6681 11.9708 11.9708 14.5919 14.5919 15.5232 15.5232 k = 0.1635 0.2832-0.0000 ( 2254 PWs) bands (ev): -2.4137 -2.4137 -0.0977 -0.0977 5.0117 5.0117 5.8868 5.8868 6.1409 6.1409 6.9024 6.9024 7.7658 7.7658 8.2027 8.2027 8.4315 8.4315 9.2188 9.2188 9.2644 9.2644 9.6259 9.6259 9.7537 9.7537 9.8440 9.8440 10.5325 10.5325 11.4951 11.4951 11.7184 11.7184 12.0331 12.0331 14.7174 14.7174 15.5015 15.5015 k = 0.1572 0.2723-0.0000 ( 2252 PWs) bands (ev): -2.4720 -2.4720 -0.0881 -0.0881 4.9441 4.9441 6.0010 6.0010 6.1797 6.1797 6.9239 6.9239 7.7971 7.7971 8.2469 8.2469 8.4267 8.4267 9.2249 9.2249 9.2535 9.2535 9.6461 9.6461 9.7552 9.7552 9.8463 9.8463 10.5624 10.5624 11.5231 11.5231 11.7697 11.7697 12.0925 12.0925 14.8478 14.8478 15.4835 15.4835 k = 0.1509 0.2614-0.0000 ( 2254 PWs) bands (ev): -2.5287 -2.5287 -0.0799 -0.0799 4.8777 4.8777 6.1032 6.1032 6.2313 6.2313 6.9463 6.9463 7.8308 7.8308 8.2905 8.2905 8.4235 8.4235 9.2266 9.2266 9.2477 9.2477 9.6665 9.6665 9.7568 9.7568 9.8487 9.8487 10.5906 10.5906 11.5493 11.5493 11.8219 11.8219 12.1488 12.1488 14.9830 14.9830 15.4690 15.4690 k = 0.1447 0.2505-0.0000 ( 2258 PWs) bands (ev): -2.5836 -2.5836 -0.0728 -0.0728 4.8128 4.8128 6.1786 6.1786 6.3082 6.3082 6.9711 6.9711 7.8669 7.8669 8.3327 8.3327 8.4225 8.4225 9.2199 9.2199 9.2514 9.2514 9.6870 9.6870 9.7584 9.7584 9.8513 9.8513 10.6171 10.6171 11.5739 11.5739 11.8746 11.8746 12.2017 12.2017 15.1224 15.1224 15.4578 15.4578 k = 0.1384 0.2397-0.0000 ( 2255 PWs) bands (ev): -2.6367 -2.6367 -0.0669 -0.0669 4.7498 4.7498 6.2298 6.2298 6.4050 6.4050 7.0003 7.0003 7.9053 7.9053 8.3705 8.3705 8.4269 8.4269 9.2097 9.2097 9.2598 9.2598 9.7076 9.7076 9.7602 9.7602 9.8545 9.8545 10.6420 10.6420 11.5972 11.5972 11.9274 11.9274 12.2509 12.2509 15.2644 15.2644 15.4499 15.4499 k = 0.1321 0.2288-0.0000 ( 2251 PWs) bands (ev): -2.6878 -2.6878 -0.0620 -0.0620 4.6889 4.6889 6.2709 6.2709 6.5033 6.5033 7.0371 7.0371 7.9459 7.9459 8.3947 8.3947 8.4457 8.4457 9.1989 9.1989 9.2701 9.2701 9.7279 9.7279 9.7622 9.7622 9.8582 9.8582 10.6654 10.6654 11.6194 11.6194 11.9798 11.9798 12.2963 12.2963 15.3905 15.3905 15.4599 15.4599 k = 0.1258 0.2179-0.0000 ( 2247 PWs) bands (ev): -2.7370 -2.7370 -0.0581 -0.0581 4.6303 4.6303 6.3082 6.3082 6.5923 6.5923 7.0854 7.0854 7.9885 7.9885 8.4037 8.4037 8.4804 8.4804 9.1884 9.1884 9.2819 9.2819 9.7475 9.7475 9.7645 9.7645 9.8627 9.8627 10.6872 10.6872 11.6411 11.6411 12.0313 12.0313 12.3379 12.3379 15.4004 15.4004 15.5678 15.5678 k = 0.1195 0.2070-0.0000 ( 2251 PWs) bands (ev): -2.7841 -2.7841 -0.0551 -0.0551 4.5740 4.5740 6.3435 6.3435 6.6658 6.6658 7.1486 7.1486 8.0326 8.0326 8.4083 8.4083 8.5199 8.5199 9.1780 9.1780 9.2949 9.2949 9.7625 9.7625 9.7707 9.7707 9.8684 9.8684 10.7074 10.7074 11.6626 11.6626 12.0813 12.0813 12.3755 12.3755 15.3562 15.3562 15.5461 15.5461 k = 0.1132 0.1961-0.0000 ( 2251 PWs) bands (ev): -2.8291 -2.8291 -0.0528 -0.0528 4.5202 4.5202 6.3771 6.3771 6.7217 6.7217 7.2274 7.2274 8.0783 8.0783 8.4129 8.4129 8.5605 8.5605 9.1682 9.1682 9.3095 9.3095 9.7663 9.7663 9.7867 9.7867 9.8759 9.8759 10.7262 10.7262 11.6846 11.6846 12.1292 12.1292 12.4094 12.4094 15.2812 15.2812 15.5328 15.5328 k = 0.1069 0.1852-0.0000 ( 2255 PWs) bands (ev): -2.8720 -2.8720 -0.0513 -0.0513 4.4690 4.4690 6.4092 6.4092 6.7619 6.7619 7.3188 7.3188 8.1249 8.1249 8.4187 8.4187 8.6005 8.6005 9.1588 9.1588 9.3257 9.3257 9.7684 9.7684 9.8025 9.8025 9.8860 9.8860 10.7435 10.7435 11.7075 11.7075 12.1743 12.1743 12.4398 12.4398 15.1877 15.1877 15.5348 15.5348 k = 0.1006 0.1743-0.0000 ( 2257 PWs) bands (ev): -2.9126 -2.9126 -0.0504 -0.0504 4.4204 4.4204 6.4397 6.4397 6.7902 6.7902 7.4179 7.4179 8.1721 8.1721 8.4263 8.4263 8.6396 8.6396 9.1501 9.1501 9.3437 9.3437 9.7702 9.7702 9.8159 9.8159 9.8996 9.8996 10.7595 10.7595 11.7321 11.7321 12.2161 12.2161 12.4669 12.4669 15.0836 15.0836 15.5439 15.5439 k = 0.0943 0.1634-0.0000 ( 2249 PWs) bands (ev): -2.9510 -2.9510 -0.0500 -0.0500 4.3746 4.3746 6.4684 6.4684 6.8104 6.8104 7.5197 7.5197 8.2195 8.2195 8.4363 8.4363 8.6777 8.6777 9.1421 9.1421 9.3637 9.3637 9.7719 9.7719 9.8266 9.8266 9.9168 9.9168 10.7744 10.7744 11.7588 11.7588 12.2538 12.2538 12.4910 12.4910 14.9722 14.9722 15.5556 15.5556 k = 0.0881 0.1525-0.0000 ( 2251 PWs) bands (ev): -2.9870 -2.9870 -0.0500 -0.0500 4.3314 4.3314 6.4951 6.4951 6.8253 6.8253 7.6200 7.6200 8.2665 8.2665 8.4490 8.4490 8.7143 8.7143 9.1346 9.1346 9.3857 9.3857 9.7736 9.7736 9.8348 9.8348 9.9376 9.9376 10.7878 10.7878 11.7882 11.7882 12.2870 12.2870 12.5126 12.5126 14.8548 14.8548 15.5656 15.5656 k = 0.0818 0.1416-0.0000 ( 2255 PWs) bands (ev): -3.0208 -3.0208 -0.0505 -0.0505 4.2911 4.2911 6.5197 6.5197 6.8365 6.8365 7.7156 7.7156 8.3126 8.3126 8.4650 8.4650 8.7494 8.7494 9.1281 9.1281 9.4098 9.4098 9.7750 9.7750 9.8412 9.8412 9.9617 9.9617 10.8001 10.8001 11.8209 11.8209 12.3153 12.3153 12.5319 12.5319 14.7326 14.7326 15.5688 15.5688 k = 0.0755 0.1307-0.0000 ( 2253 PWs) bands (ev): -3.0522 -3.0522 -0.0512 -0.0512 4.2537 4.2537 6.5421 6.5421 6.8455 6.8455 7.8036 7.8036 8.3575 8.3575 8.4845 8.4845 8.7829 8.7829 9.1224 9.1224 9.4356 9.4356 9.7765 9.7765 9.8464 9.8464 9.9889 9.9889 10.8112 10.8112 11.8575 11.8575 12.3386 12.3386 12.5489 12.5489 14.6061 14.6061 15.5578 15.5578 k = 0.0692 0.1198-0.0000 ( 2253 PWs) bands (ev): -3.0811 -3.0811 -0.0521 -0.0521 4.2191 4.2191 6.5622 6.5622 6.8530 6.8530 7.8819 7.8819 8.4013 8.4013 8.5073 8.5073 8.8147 8.8147 9.1177 9.1177 9.4629 9.4629 9.7778 9.7778 9.8506 9.8506 10.0192 10.0192 10.8212 10.8212 11.8983 11.8983 12.3571 12.3571 12.5637 12.5637 14.4763 14.4763 15.5236 15.5236 k = 0.0629 0.1089-0.0000 ( 2245 PWs) bands (ev): -3.1076 -3.1076 -0.0532 -0.0532 4.1874 4.1874 6.5800 6.5800 6.8596 6.8596 7.9491 7.9491 8.4439 8.4439 8.5327 8.5327 8.8445 8.8445 9.1140 9.1140 9.4911 9.4911 9.7791 9.7791 9.8542 9.8542 10.0528 10.0528 10.8301 10.8301 11.9436 11.9436 12.3714 12.3714 12.5759 12.5759 14.3441 14.3441 15.4610 15.4610 k = 0.0566 0.0980-0.0000 ( 2245 PWs) bands (ev): -3.1317 -3.1317 -0.0544 -0.0544 4.1586 4.1586 6.5954 6.5954 6.8656 6.8656 8.0047 8.0047 8.4854 8.4854 8.5594 8.5594 8.8724 8.8724 9.1114 9.1114 9.5194 9.5194 9.7800 9.7800 9.8570 9.8570 10.0898 10.0898 10.8380 10.8380 11.9935 11.9935 12.3821 12.3821 12.5853 12.5853 14.2104 14.2104 15.3736 15.3736 k = 0.0503 0.0871-0.0000 ( 2245 PWs) bands (ev): -3.1533 -3.1533 -0.0557 -0.0557 4.1329 4.1329 6.6085 6.6085 6.8710 6.8710 8.0490 8.0490 8.5254 8.5254 8.5859 8.5859 8.8982 8.8982 9.1103 9.1103 9.5470 9.5470 9.7807 9.7807 9.8590 9.8590 10.1299 10.1299 10.8449 10.8449 12.0478 12.0478 12.3901 12.3901 12.5916 12.5916 14.0766 14.0766 15.2718 15.2718 k = 0.0440 0.0763-0.0000 ( 2243 PWs) bands (ev): -3.1724 -3.1724 -0.0569 -0.0569 4.1101 4.1101 6.6196 6.6196 6.8761 6.8761 8.0834 8.0834 8.5631 8.5631 8.6110 8.6110 8.9214 8.9214 9.1105 9.1105 9.5730 9.5730 9.7811 9.7811 9.8605 9.8605 10.1727 10.1727 10.8510 10.8510 12.1060 12.1060 12.3965 12.3965 12.5949 12.5949 13.9439 13.9439 15.1662 15.1662 k = 0.0377 0.0654-0.0000 ( 2239 PWs) bands (ev): -3.1890 -3.1890 -0.0580 -0.0580 4.0903 4.0903 6.6286 6.6286 6.8807 6.8807 8.1097 8.1097 8.5973 8.5973 8.6337 8.6337 8.9418 8.9418 9.1121 9.1121 9.5966 9.5966 9.7813 9.7813 9.8614 9.8614 10.2169 10.2169 10.8561 10.8561 12.1668 12.1668 12.4021 12.4021 12.5957 12.5957 13.8142 13.8142 15.0646 15.0646 k = 0.0314 0.0545-0.0000 ( 2239 PWs) bands (ev): -3.2031 -3.2031 -0.0590 -0.0590 4.0735 4.0735 6.6359 6.6359 6.8849 6.8849 8.1294 8.1294 8.6273 8.6273 8.6534 8.6534 8.9589 8.9589 9.1150 9.1150 9.6173 9.6173 9.7812 9.7812 9.8617 9.8617 10.2606 10.2606 10.8604 10.8604 12.2277 12.2277 12.4079 12.4079 12.5952 12.5952 13.6895 13.6895 14.9723 14.9723 k = 0.0252 0.0436-0.0000 ( 2235 PWs) bands (ev): -3.2146 -3.2146 -0.0599 -0.0599 4.0598 4.0598 6.6415 6.6415 6.8886 6.8886 8.1439 8.1439 8.6523 8.6523 8.6697 8.6697 8.9726 8.9726 9.1189 9.1189 9.6347 9.6347 9.7809 9.7809 9.8616 9.8616 10.3016 10.3016 10.8638 10.8638 12.2847 12.2847 12.4153 12.4153 12.5956 12.5956 13.5728 13.5728 14.8929 14.8929 k = 0.0189 0.0327-0.0000 ( 2235 PWs) bands (ev): -3.2236 -3.2236 -0.0607 -0.0607 4.0491 4.0491 6.6457 6.6457 6.8915 6.8915 8.1542 8.1542 8.6719 8.6719 8.6823 8.6823 8.9829 8.9829 9.1231 9.1231 9.6485 9.6485 9.7804 9.7804 9.8612 9.8612 10.3373 10.3373 10.8664 10.8664 12.3312 12.3312 12.4254 12.4254 12.6003 12.6003 13.4682 13.4682 14.8289 14.8289 k = 0.0126 0.0218-0.0000 ( 2235 PWs) bands (ev): -3.2300 -3.2300 -0.0612 -0.0612 4.0415 4.0415 6.6486 6.6486 6.8937 6.8937 8.1610 8.1610 8.6859 8.6859 8.6913 8.6913 8.9899 8.9899 9.1268 9.1268 9.6586 9.6586 9.7798 9.7798 9.8607 9.8607 10.3650 10.3650 10.8682 10.8682 12.3612 12.3612 12.4374 12.4374 12.6117 12.6117 13.3819 13.3819 14.7821 14.7821 k = 0.0063 0.0109-0.0000 ( 2231 PWs) bands (ev): -3.2338 -3.2338 -0.0615 -0.0615 4.0369 4.0369 6.6503 6.6503 6.8951 6.8951 8.1650 8.1650 8.6943 8.6943 8.6968 8.6968 8.9939 8.9939 9.1294 9.1294 9.6648 9.6648 9.7794 9.7794 9.8604 9.8604 10.3826 10.3826 10.8693 10.8693 12.3761 12.3761 12.4465 12.4465 12.6262 12.6262 13.3231 13.3231 14.7536 14.7536 k = 0.0000 0.0000 0.0000 ( 2223 PWs) bands (ev): -3.2351 -3.2351 -0.0616 -0.0616 4.0353 4.0353 6.6509 6.6509 6.8956 6.8956 8.1664 8.1664 8.6971 8.6971 8.6987 8.6987 8.9952 8.9952 9.1304 9.1304 9.6669 9.6669 9.7793 9.7793 9.8603 9.8603 10.3887 10.3887 10.8696 10.8696 12.3804 12.3804 12.4495 12.4495 12.6331 12.6331 13.3019 13.3019 14.7440 14.7440 k = 0.0000 0.0000 0.0000 ( 2223 PWs) bands (ev): -3.2351 -3.2351 -0.0616 -0.0616 4.0353 4.0353 6.6509 6.6509 6.8956 6.8956 8.1664 8.1664 8.6971 8.6971 8.6987 8.6987 8.9952 8.9952 9.1304 9.1304 9.6669 9.6669 9.7793 9.7793 9.8603 9.8603 10.3887 10.3887 10.8696 10.8696 12.3804 12.3804 12.4495 12.4495 12.6331 12.6331 13.3019 13.3019 14.7440 14.7440 k = 0.0000 0.0000 0.0123 ( 2235 PWs) bands (ev): -3.2338 -3.2338 -0.0665 -0.0665 4.0421 4.0421 6.6518 6.6518 6.8964 6.8964 8.1670 8.1670 8.6973 8.6973 8.6992 8.6992 8.9926 8.9926 9.1222 9.1222 9.6610 9.6610 9.7926 9.7926 9.8554 9.8554 10.3960 10.3960 10.8672 10.8672 12.3798 12.3798 12.4401 12.4401 12.6327 12.6327 13.3051 13.3051 14.7500 14.7500 k = 0.0000 0.0000 0.0246 ( 2235 PWs) bands (ev): -3.2299 -3.2299 -0.0811 -0.0811 4.0621 4.0621 6.6547 6.6547 6.8991 6.8991 8.1692 8.1692 8.6984 8.6984 8.7008 8.7008 8.9847 8.9847 9.0987 9.0987 9.6486 9.6486 9.8265 9.8265 9.8417 9.8417 10.4173 10.4173 10.8599 10.8599 12.3782 12.3782 12.4120 12.4120 12.6315 12.6315 13.3147 13.3147 14.7677 14.7677 k = 0.0000 0.0000 0.0370 ( 2241 PWs) bands (ev): -3.2234 -3.2234 -0.1051 -0.1051 4.0952 4.0952 6.6596 6.6596 6.9037 6.9037 8.1725 8.1725 8.7000 8.7000 8.7036 8.7036 8.9717 8.9717 9.0625 9.0625 9.6354 9.6354 9.8212 9.8212 9.8726 9.8726 10.4502 10.4502 10.8479 10.8479 12.3665 12.3665 12.3755 12.3755 12.6296 12.6296 13.3307 13.3307 14.7959 14.7959 k = 0.0000 0.0000 0.0493 ( 2241 PWs) bands (ev): -3.2143 -3.2143 -0.1380 -0.1380 4.1408 4.1408 6.6665 6.6665 6.9101 6.9101 8.1775 8.1775 8.7022 8.7022 8.7074 8.7074 8.9539 8.9539 9.0165 9.0165 9.6231 9.6231 9.7961 9.7961 9.9264 9.9264 10.4924 10.4924 10.8313 10.8313 12.3051 12.3051 12.3717 12.3717 12.6270 12.6270 13.3527 13.3527 14.8332 14.8332 k = 0.0000 0.0000 0.0616 ( 2247 PWs) bands (ev): -3.2026 -3.2026 -0.1791 -0.1791 4.1983 4.1983 6.6752 6.6752 6.9182 6.9182 8.1842 8.1842 8.7042 8.7042 8.7121 8.7121 8.9319 8.9319 8.9634 8.9634 9.6113 9.6113 9.7686 9.7686 9.9851 9.9851 10.5416 10.5416 10.8103 10.8103 12.2299 12.2299 12.3667 12.3667 12.6235 12.6235 13.3807 13.3807 14.8778 14.8778 k = 0.0000 0.0000 0.0739 ( 2259 PWs) bands (ev): -3.1884 -3.1884 -0.2278 -0.2278 4.2669 4.2669 6.6860 6.6860 6.9282 6.9282 8.1916 8.1916 8.7062 8.7062 8.7181 8.7181 8.9053 8.9053 8.9065 8.9065 9.5996 9.5996 9.7396 9.7396 10.0470 10.0470 10.5960 10.5960 10.7853 10.7853 12.1428 12.1428 12.3606 12.3606 12.6191 12.6191 13.4144 13.4144 14.9280 14.9280 k = 0.0000 0.0000 0.0862 ( 2259 PWs) bands (ev): -3.1715 -3.1715 -0.2833 -0.2833 4.3459 4.3459 6.6987 6.6987 6.9400 6.9400 8.2003 8.2003 8.7068 8.7068 8.7251 8.7251 8.8438 8.8438 8.8791 8.8791 9.5878 9.5878 9.7107 9.7107 10.1109 10.1109 10.6545 10.6545 10.7566 10.7566 12.0459 12.0459 12.3533 12.3533 12.6139 12.6139 13.4536 13.4536 14.9819 14.9819 k = 0.0000 0.0000 0.0985 ( 2259 PWs) bands (ev): -3.1521 -3.1521 -0.3448 -0.3448 4.4343 4.4343 6.7134 6.7134 6.9535 6.9535 8.2099 8.2099 8.7041 8.7041 8.7332 8.7332 8.7799 8.7799 8.8520 8.8520 9.5755 9.5755 9.6821 9.6821 10.1758 10.1758 10.7160 10.7160 10.7244 10.7244 11.9412 11.9412 12.3449 12.3449 12.6078 12.6078 13.4979 13.4979 15.0381 15.0381 k = 0.0000 0.0000 0.1109 ( 2259 PWs) bands (ev): -3.1301 -3.1301 -0.4115 -0.4115 4.5313 4.5313 6.7300 6.7300 6.9689 6.9689 8.2202 8.2202 8.6945 8.6945 8.7145 8.7145 8.7424 8.7424 8.8292 8.8292 9.5625 9.5625 9.6542 9.6542 10.2406 10.2406 10.6892 10.6892 10.7798 10.7798 11.8307 11.8307 12.3351 12.3351 12.6007 12.6007 13.5471 13.5471 15.0952 15.0952 k = 0.0000 0.0000 0.1232 ( 2259 PWs) bands (ev): -3.1055 -3.1055 -0.4826 -0.4826 4.6361 4.6361 6.7486 6.7486 6.9860 6.9860 8.2310 8.2310 8.6481 8.6481 8.6744 8.6744 8.7525 8.7525 8.8149 8.8149 9.5487 9.5487 9.6269 9.6269 10.3043 10.3043 10.6512 10.6512 10.8453 10.8453 11.7165 11.7165 12.3241 12.3241 12.5926 12.5926 13.6010 13.6010 15.1520 15.1520 k = 0.0000 0.0000 0.1355 ( 2259 PWs) bands (ev): -3.0784 -3.0784 -0.5575 -0.5575 4.7479 4.7479 6.7691 6.7691 7.0049 7.0049 8.2419 8.2419 8.5813 8.5813 8.6429 8.6429 8.7637 8.7637 8.8102 8.8102 9.5340 9.5340 9.6003 9.6003 10.3658 10.3658 10.6108 10.6108 10.9120 10.9120 11.6005 11.6005 12.3117 12.3117 12.5834 12.5834 13.6592 13.6592 15.2076 15.2076 k = 0.0000 0.0000 0.1478 ( 2259 PWs) bands (ev): -3.0488 -3.0488 -0.6354 -0.6354 4.8660 4.8660 6.7916 6.7916 7.0256 7.0256 8.2525 8.2525 8.5145 8.5145 8.6030 8.6030 8.7758 8.7758 8.8127 8.8127 9.5184 9.5184 9.5744 9.5744 10.4231 10.4231 10.5683 10.5683 10.9797 10.9797 11.4857 11.4857 12.2979 12.2979 12.5731 12.5731 13.7215 13.7215 15.2612 15.2612 k = 0.0000 0.0000 0.1601 ( 2271 PWs) bands (ev): -3.0166 -3.0166 -0.7158 -0.7158 4.9896 4.9896 6.8160 6.8160 7.0479 7.0479 8.2618 8.2618 8.4484 8.4484 8.5577 8.5577 8.7887 8.7887 8.8196 8.8196 9.5019 9.5019 9.5489 9.5489 10.4735 10.4735 10.5238 10.5238 11.0479 11.0479 11.3757 11.3757 12.2826 12.2826 12.5614 12.5614 13.7876 13.7876 15.3120 15.3120 k = 0.0000 0.0000 0.1725 ( 2271 PWs) bands (ev): -2.9819 -2.9819 -0.7982 -0.7982 5.1181 5.1181 6.8425 6.8425 7.0719 7.0719 8.2679 8.2679 8.3848 8.3848 8.5089 8.5089 8.8027 8.8027 8.8295 8.8295 9.4844 9.4844 9.5238 9.5238 10.4781 10.4781 10.5125 10.5125 11.1164 11.1164 11.2759 11.2759 12.2658 12.2658 12.5485 12.5485 13.8573 13.8573 15.3594 15.3594 k = 0.0000 0.0000 0.1848 ( 2283 PWs) bands (ev): -2.9448 -2.9448 -0.8820 -0.8820 5.2508 5.2508 6.8708 6.8708 7.0975 7.0975 8.2622 8.2622 8.3316 8.3316 8.4579 8.4579 8.8175 8.8175 8.8415 8.8415 9.4660 9.4660 9.4989 9.4989 10.4314 10.4314 10.5328 10.5328 11.1850 11.1850 11.1944 11.1944 12.2474 12.2474 12.5342 12.5342 13.9303 13.9303 15.4029 15.4029 k = 0.0000 0.0000 0.1971 ( 2283 PWs) bands (ev): -2.9051 -2.9051 -0.9667 -0.9667 5.3872 5.3872 6.9013 6.9013 7.1249 7.1249 8.2233 8.2233 8.3096 8.3096 8.4053 8.4053 8.8333 8.8333 8.8551 8.8551 9.4468 9.4468 9.4743 9.4743 10.3837 10.3837 10.5260 10.5260 11.1409 11.1409 11.2534 11.2534 12.2273 12.2273 12.5183 12.5183 14.0065 14.0065 15.4419 15.4419 k = 0.0000 0.0000 0.2094 ( 2283 PWs) bands (ev): -2.8630 -2.8630 -1.0522 -1.0522 5.5267 5.5267 6.9338 6.9338 7.1540 7.1540 8.1636 8.1636 8.3058 8.3058 8.3517 8.3517 8.8499 8.8499 8.8701 8.8701 9.4269 9.4269 9.4498 9.4498 10.3356 10.3356 10.4874 10.4874 11.1210 11.1210 11.3214 11.3214 12.2055 12.2055 12.5009 12.5009 14.0855 14.0855 15.4758 15.4758 k = 0.0000 0.0000 0.2217 ( 2295 PWs) bands (ev): -2.8185 -2.8185 -1.1379 -1.1379 5.6687 5.6687 6.9683 6.9683 7.1845 7.1845 8.0995 8.0995 8.2974 8.2974 8.3027 8.3027 8.8672 8.8672 8.8860 8.8860 9.4061 9.4061 9.4253 9.4253 10.2873 10.2873 10.4219 10.4219 11.1310 11.1310 11.3887 11.3887 12.1818 12.1818 12.4817 12.4817 14.1672 14.1672 15.5040 15.5040 k = 0.0000 0.0000 0.2340 ( 2283 PWs) bands (ev): -2.7716 -2.7716 -1.2236 -1.2236 5.8125 5.8125 7.0051 7.0051 7.2168 7.2168 8.0344 8.0344 8.2428 8.2428 8.2958 8.2958 8.8855 8.8855 8.9031 8.9031 9.3847 9.3847 9.4011 9.4011 10.2391 10.2391 10.3405 10.3405 11.1617 11.1617 11.4554 11.4554 12.1564 12.1564 12.4609 12.4609 14.2512 14.2512 15.5261 15.5261 k = 0.0000 0.0000 0.2464 ( 2271 PWs) bands (ev): -2.7223 -2.7223 -1.3090 -1.3090 5.9577 5.9577 7.0442 7.0442 7.2506 7.2506 7.9691 7.9691 8.1880 8.1880 8.2832 8.2832 8.9044 8.9044 8.9211 8.9211 9.3626 9.3626 9.3768 9.3768 10.1916 10.1916 10.2527 10.2527 11.2047 11.2047 11.5210 11.5210 12.1289 12.1289 12.4381 12.4381 14.3372 14.3372 15.5412 15.5412 k = 0.0000 0.0000 0.2587 ( 2271 PWs) bands (ev): -2.6706 -2.6706 -1.3939 -1.3939 6.1035 6.1035 7.0857 7.0857 7.2859 7.2859 7.9038 7.9038 8.1334 8.1334 8.2625 8.2625 8.9240 8.9240 8.9398 8.9398 9.3399 9.3399 9.3524 9.3524 10.1446 10.1446 10.1657 10.1657 11.2547 11.2547 11.5855 11.5855 12.0995 12.0995 12.4133 12.4133 14.4250 14.4250 15.5486 15.5486 k = 0.0000 0.0000 0.2710 ( 2265 PWs) bands (ev): -2.6166 -2.6166 -1.4780 -1.4780 6.2493 6.2493 7.1298 7.1298 7.3228 7.3228 7.8386 7.8386 8.0790 8.0790 8.2326 8.2326 8.9442 8.9442 8.9592 8.9592 9.3167 9.3167 9.3281 9.3281 10.0844 10.0844 10.0988 10.0988 11.3085 11.3085 11.6488 11.6488 12.0681 12.0681 12.3865 12.3865 14.5142 14.5142 15.5477 15.5477 k = 0.0000 0.0000 0.2833 ( 2253 PWs) bands (ev): -2.5603 -2.5603 -1.5612 -1.5612 6.3940 6.3940 7.1769 7.1769 7.3611 7.3611 7.7734 7.7734 8.0250 8.0250 8.1920 8.1920 8.9650 8.9650 8.9794 8.9794 9.2931 9.2931 9.3039 9.3039 10.0120 10.0120 10.0547 10.0547 11.3642 11.3642 11.7105 11.7105 12.0346 12.0346 12.3575 12.3575 14.6043 14.6043 15.5379 15.5379 k = 0.0000 0.0000 0.2956 ( 2253 PWs) bands (ev): -2.5018 -2.5018 -1.6434 -1.6434 6.5368 6.5368 7.2273 7.2273 7.4008 7.4008 7.7078 7.7078 7.9715 7.9715 8.1400 8.1400 8.9864 8.9864 9.0001 9.0001 9.2690 9.2690 9.2795 9.2795 9.9508 9.9508 10.0125 10.0125 11.4204 11.4204 11.7706 11.7706 11.9990 11.9990 12.3263 12.3263 14.6948 14.6948 15.5184 15.5184 k = 0.0000 0.0000 0.3079 ( 2271 PWs) bands (ev): -2.4410 -2.4410 -1.7243 -1.7243 6.6763 6.6763 7.2817 7.2817 7.4418 7.4418 7.6414 7.6414 7.9185 7.9185 8.0765 8.0765 9.0081 9.0081 9.0214 9.0214 9.2445 9.2445 9.2549 9.2549 9.9021 9.9021 9.9729 9.9729 11.4765 11.4765 11.8288 11.8288 11.9613 11.9613 12.2928 12.2928 14.7852 14.7852 15.4892 15.4892 k = 0.0000 0.0000 0.3203 ( 2283 PWs) bands (ev): -2.3781 -2.3781 -1.8038 -1.8038 6.8109 6.8109 7.3410 7.3410 7.4842 7.4842 7.5737 7.5737 7.8663 7.8663 8.0020 8.0020 9.0304 9.0304 9.0432 9.0432 9.2199 9.2199 9.2305 9.2305 9.8661 9.8661 9.9365 9.9365 11.5320 11.5320 11.8852 11.8852 11.9214 11.9214 12.2569 12.2569 14.8747 14.8747 15.4502 15.4502 k = 0.0000 0.0000 0.3326 ( 2288 PWs) bands (ev): -2.3131 -2.3131 -1.8818 -1.8818 6.9388 6.9388 7.4062 7.4062 7.5037 7.5037 7.5280 7.5280 7.8149 7.8149 7.9190 7.9190 9.0530 9.0530 9.0654 9.0654 9.1955 9.1955 9.2063 9.2063 9.8428 9.8428 9.9039 9.9039 11.5865 11.5865 11.8794 11.8794 11.9396 11.9396 12.2187 12.2187 14.9627 14.9627 15.4018 15.4018 k = 0.0000 0.0000 0.3449 ( 2288 PWs) bands (ev): -2.2460 -2.2460 -1.9582 -1.9582 7.0577 7.0577 7.4300 7.4300 7.4785 7.4785 7.5729 7.5729 7.7644 7.7644 7.8295 7.8295 9.0761 9.0761 9.0881 9.0881 9.1712 9.1712 9.1822 9.1822 9.8312 9.8312 9.8760 9.8760 11.6397 11.6397 11.8353 11.8353 11.9919 11.9919 12.1781 12.1781 15.0482 15.0482 15.3447 15.3447 k = 0.0000 0.0000 0.3572 ( 2288 PWs) bands (ev): -2.1769 -2.1769 -2.0329 -2.0329 7.1662 7.1662 7.3508 7.3508 7.5585 7.5585 7.6191 7.6191 7.7150 7.7150 7.7370 7.7370 9.0995 9.0995 9.1112 9.1112 9.1470 9.1470 9.1583 9.1583 9.8300 9.8300 9.8536 9.8536 11.6913 11.6913 11.7892 11.7892 12.0419 12.0419 12.1350 12.1350 15.1303 15.1303 15.2796 15.2796 k = 0.0000 0.0000 0.3695 ( 2288 PWs) bands (ev): -2.1058 -2.1058 -2.1058 -2.1058 7.2635 7.2635 7.2635 7.2635 7.6455 7.6455 7.6455 7.6455 7.6665 7.6665 7.6665 7.6665 9.1231 9.1231 9.1231 9.1231 9.1346 9.1346 9.1346 9.1346 9.8379 9.8379 9.8379 9.8379 11.7412 11.7412 11.7412 11.7412 12.0896 12.0896 12.0896 12.0896 15.2078 15.2078 15.2078 15.2078 k = 0.0000 0.0000 0.3695 ( 2288 PWs) bands (ev): -2.1058 -2.1058 -2.1058 -2.1058 7.2635 7.2635 7.2635 7.2635 7.6455 7.6455 7.6455 7.6455 7.6665 7.6665 7.6665 7.6665 9.1231 9.1231 9.1231 9.1231 9.1346 9.1346 9.1346 9.1346 9.8379 9.8379 9.8379 9.8379 11.7412 11.7412 11.7412 11.7412 12.0896 12.0896 12.0896 12.0896 15.2078 15.2078 15.2078 15.2078 k = 0.0109 0.0063 0.3695 ( 2288 PWs) bands (ev): -2.1048 -2.1048 -2.1048 -2.1048 7.2562 7.2562 7.2562 7.2562 7.6280 7.6280 7.6280 7.6280 7.6877 7.6877 7.6877 7.6877 9.1224 9.1224 9.1224 9.1224 9.1351 9.1351 9.1351 9.1351 9.8398 9.8398 9.8398 9.8398 11.7372 11.7372 11.7372 11.7372 12.0848 12.0848 12.0848 12.0848 15.2130 15.2130 15.2130 15.2130 k = 0.0217 0.0126 0.3695 ( 2288 PWs) bands (ev): -2.1016 -2.1016 -2.1016 -2.1016 7.2349 7.2349 7.2349 7.2349 7.6072 7.6072 7.6072 7.6072 7.7190 7.7190 7.7190 7.7190 9.1206 9.1206 9.1206 9.1206 9.1364 9.1364 9.1364 9.1364 9.8454 9.8454 9.8454 9.8454 11.7251 11.7251 11.7251 11.7251 12.0707 12.0707 12.0707 12.0707 15.2281 15.2281 15.2281 15.2281 k = 0.0326 0.0188 0.3695 ( 2286 PWs) bands (ev): -2.0963 -2.0963 -2.0963 -2.0963 7.2009 7.2009 7.2009 7.2009 7.5901 7.5901 7.5901 7.5901 7.7521 7.7521 7.7521 7.7521 9.1181 9.1181 9.1181 9.1181 9.1380 9.1380 9.1380 9.1380 9.8548 9.8548 9.8548 9.8548 11.7049 11.7049 11.7049 11.7049 12.0481 12.0481 12.0481 12.0481 15.2509 15.2509 15.2509 15.2509 k = 0.0435 0.0251 0.3695 ( 2282 PWs) bands (ev): -2.0888 -2.0888 -2.0888 -2.0888 7.1563 7.1563 7.1563 7.1563 7.5764 7.5764 7.5764 7.5764 7.7855 7.7855 7.7855 7.7855 9.1150 9.1150 9.1150 9.1150 9.1398 9.1398 9.1398 9.1398 9.8677 9.8677 9.8677 9.8677 11.6763 11.6763 11.6763 11.6763 12.0186 12.0186 12.0186 12.0186 15.2778 15.2778 15.2778 15.2778 k = 0.0543 0.0314 0.3695 ( 2270 PWs) bands (ev): -2.0793 -2.0793 -2.0793 -2.0793 7.1030 7.1030 7.1030 7.1030 7.5653 7.5653 7.5653 7.5653 7.8183 7.8183 7.8183 7.8183 9.1115 9.1115 9.1115 9.1115 9.1417 9.1417 9.1417 9.1417 9.8840 9.8840 9.8840 9.8840 11.6394 11.6394 11.6394 11.6394 11.9838 11.9838 11.9838 11.9838 15.3034 15.3034 15.3034 15.3034 k = 0.0652 0.0377 0.3695 ( 2270 PWs) bands (ev): -2.0677 -2.0677 -2.0677 -2.0677 7.0425 7.0425 7.0425 7.0425 7.5559 7.5559 7.5559 7.5559 7.8496 7.8496 7.8496 7.8496 9.1075 9.1075 9.1075 9.1075 9.1436 9.1436 9.1436 9.1436 9.9033 9.9033 9.9033 9.9033 11.5943 11.5943 11.5943 11.5943 11.9453 11.9453 11.9453 11.9453 15.3212 15.3212 15.3212 15.3212 k = 0.0761 0.0439 0.3695 ( 2278 PWs) bands (ev): -2.0540 -2.0540 -2.0540 -2.0540 6.9761 6.9761 6.9761 6.9761 7.5474 7.5474 7.5474 7.5474 7.8793 7.8793 7.8793 7.8793 9.1030 9.1030 9.1030 9.1030 9.1455 9.1455 9.1455 9.1455 9.9255 9.9255 9.9255 9.9255 11.5414 11.5414 11.5414 11.5414 11.9045 11.9045 11.9045 11.9045 15.3251 15.3251 15.3251 15.3251 k = 0.0870 0.0502 0.3695 ( 2274 PWs) bands (ev): -2.0383 -2.0383 -2.0383 -2.0383 6.9049 6.9049 6.9049 6.9049 7.5395 7.5395 7.5395 7.5395 7.9071 7.9071 7.9071 7.9071 9.0982 9.0982 9.0982 9.0982 9.1476 9.1476 9.1476 9.1476 9.9502 9.9502 9.9502 9.9502 11.4820 11.4820 11.4820 11.4820 11.8624 11.8624 11.8624 11.8624 15.3121 15.3121 15.3121 15.3121 k = 0.0978 0.0565 0.3695 ( 2274 PWs) bands (ev): -2.0206 -2.0206 -2.0206 -2.0206 6.8294 6.8294 6.8294 6.8294 7.5318 7.5318 7.5318 7.5318 7.9329 7.9329 7.9329 7.9329 9.0929 9.0929 9.0929 9.0929 9.1498 9.1498 9.1498 9.1498 9.9768 9.9768 9.9768 9.9768 11.4171 11.4171 11.4171 11.4171 11.8195 11.8195 11.8195 11.8195 15.2834 15.2834 15.2834 15.2834 k = 0.1087 0.0628 0.3695 ( 2274 PWs) bands (ev): -2.0009 -2.0009 -2.0009 -2.0009 6.7503 6.7503 6.7503 6.7503 7.5241 7.5241 7.5241 7.5241 7.9565 7.9565 7.9565 7.9565 9.0872 9.0872 9.0872 9.0872 9.1521 9.1521 9.1521 9.1521 10.0049 10.0049 10.0049 10.0049 11.3483 11.3483 11.3483 11.3483 11.7763 11.7763 11.7763 11.7763 15.2427 15.2427 15.2427 15.2427 k = 0.1196 0.0690 0.3695 ( 2266 PWs) bands (ev): -1.9793 -1.9793 -1.9793 -1.9793 6.6680 6.6680 6.6680 6.6680 7.5163 7.5163 7.5163 7.5163 7.9780 7.9780 7.9780 7.9780 9.0813 9.0813 9.0813 9.0813 9.1546 9.1546 9.1546 9.1546 10.0340 10.0340 10.0340 10.0340 11.2775 11.2775 11.2775 11.2775 11.7328 11.7328 11.7328 11.7328 15.1941 15.1941 15.1941 15.1941 k = 0.1304 0.0753 0.3695 ( 2268 PWs) bands (ev): -1.9558 -1.9558 -1.9558 -1.9558 6.5828 6.5828 6.5828 6.5828 7.5081 7.5081 7.5081 7.5081 7.9973 7.9973 7.9973 7.9973 9.0749 9.0749 9.0749 9.0749 9.1574 9.1574 9.1574 9.1574 10.0631 10.0631 10.0631 10.0631 11.2062 11.2062 11.2062 11.2062 11.6892 11.6892 11.6892 11.6892 15.1411 15.1411 15.1411 15.1411 k = 0.1413 0.0816 0.3695 ( 2264 PWs) bands (ev): -1.9305 -1.9305 -1.9305 -1.9305 6.4950 6.4950 6.4950 6.4950 7.4998 7.4998 7.4998 7.4998 8.0145 8.0145 8.0145 8.0145 9.0682 9.0682 9.0682 9.0682 9.1604 9.1604 9.1604 9.1604 10.0913 10.0913 10.0913 10.0913 11.1364 11.1364 11.1364 11.1364 11.6454 11.6454 11.6454 11.6454 15.0862 15.0862 15.0862 15.0862 k = 0.1522 0.0879 0.3695 ( 2264 PWs) bands (ev): -1.9033 -1.9033 -1.9033 -1.9033 6.4050 6.4050 6.4050 6.4050 7.4911 7.4911 7.4911 7.4911 8.0295 8.0295 8.0295 8.0295 9.0613 9.0613 9.0613 9.0613 9.1637 9.1637 9.1637 9.1637 10.1174 10.1174 10.1174 10.1174 11.0699 11.0699 11.0699 11.0699 11.6017 11.6017 11.6017 11.6017 15.0310 15.0310 15.0310 15.0310 k = 0.1630 0.0941 0.3695 ( 2260 PWs) bands (ev): -1.8745 -1.8745 -1.8745 -1.8745 6.3129 6.3129 6.3129 6.3129 7.4820 7.4820 7.4820 7.4820 8.0424 8.0424 8.0424 8.0424 9.0543 9.0543 9.0543 9.0543 9.1673 9.1673 9.1673 9.1673 10.1401 10.1401 10.1401 10.1401 11.0089 11.0089 11.0089 11.0089 11.5579 11.5579 11.5579 11.5579 14.9767 14.9767 14.9767 14.9767 k = 0.1739 0.1004 0.3695 ( 2256 PWs) bands (ev): -1.8440 -1.8440 -1.8440 -1.8440 6.2191 6.2191 6.2191 6.2191 7.4727 7.4727 7.4727 7.4727 8.0532 8.0532 8.0532 8.0532 9.0473 9.0473 9.0473 9.0473 9.1712 9.1712 9.1712 9.1712 10.1575 10.1575 10.1575 10.1575 10.9554 10.9554 10.9554 10.9554 11.5144 11.5144 11.5144 11.5144 14.9240 14.9240 14.9240 14.9240 k = 0.1848 0.1067 0.3695 ( 2252 PWs) bands (ev): -1.8119 -1.8119 -1.8119 -1.8119 6.1237 6.1237 6.1237 6.1237 7.4630 7.4630 7.4630 7.4630 8.0619 8.0619 8.0619 8.0619 9.0403 9.0403 9.0403 9.0403 9.1756 9.1756 9.1756 9.1756 10.1677 10.1677 10.1677 10.1677 10.9117 10.9117 10.9117 10.9117 11.4712 11.4712 11.4712 11.4712 14.8736 14.8736 14.8736 14.8736 k = 0.1957 0.1130 0.3695 ( 2244 PWs) bands (ev): -1.7783 -1.7783 -1.7783 -1.7783 6.0271 6.0271 6.0271 6.0271 7.4530 7.4530 7.4530 7.4530 8.0685 8.0685 8.0685 8.0685 9.0335 9.0335 9.0335 9.0335 9.1803 9.1803 9.1803 9.1803 10.1690 10.1690 10.1690 10.1690 10.8797 10.8797 10.8797 10.8797 11.4286 11.4286 11.4286 11.4286 14.8257 14.8257 14.8257 14.8257 k = 0.2065 0.1192 0.3695 ( 2248 PWs) bands (ev): -1.7433 -1.7433 -1.7433 -1.7433 5.9295 5.9295 5.9295 5.9295 7.4427 7.4427 7.4427 7.4427 8.0730 8.0730 8.0730 8.0730 9.0270 9.0270 9.0270 9.0270 9.1853 9.1853 9.1853 9.1853 10.1603 10.1603 10.1603 10.1603 10.8606 10.8606 10.8606 10.8606 11.3865 11.3865 11.3865 11.3865 14.7807 14.7807 14.7807 14.7807 k = 0.2174 0.1255 0.3695 ( 2248 PWs) bands (ev): -1.7070 -1.7070 -1.7070 -1.7070 5.8311 5.8311 5.8311 5.8311 7.4322 7.4322 7.4322 7.4322 8.0754 8.0754 8.0754 8.0754 9.0210 9.0210 9.0210 9.0210 9.1908 9.1908 9.1908 9.1908 10.1418 10.1418 10.1418 10.1418 10.8541 10.8541 10.8541 10.8541 11.3455 11.3455 11.3455 11.3455 14.7387 14.7387 14.7387 14.7387 k = 0.2283 0.1318 0.3695 ( 2250 PWs) bands (ev): -1.6694 -1.6694 -1.6694 -1.6694 5.7322 5.7322 5.7322 5.7322 7.4214 7.4214 7.4214 7.4214 8.0758 8.0758 8.0758 8.0758 9.0156 9.0156 9.0156 9.0156 9.1966 9.1966 9.1966 9.1966 10.1146 10.1146 10.1146 10.1146 10.8589 10.8589 10.8589 10.8589 11.3056 11.3056 11.3056 11.3056 14.6998 14.6998 14.6998 14.6998 k = 0.2391 0.1381 0.3695 ( 2248 PWs) bands (ev): -1.6308 -1.6308 -1.6308 -1.6308 5.6331 5.6331 5.6331 5.6331 7.4105 7.4105 7.4105 7.4105 8.0741 8.0741 8.0741 8.0741 9.0109 9.0109 9.0109 9.0109 9.2028 9.2028 9.2028 9.2028 10.0810 10.0810 10.0810 10.0810 10.8725 10.8725 10.8725 10.8725 11.2676 11.2676 11.2676 11.2676 14.6642 14.6642 14.6642 14.6642 k = 0.2500 0.1443 0.3695 ( 2244 PWs) bands (ev): -1.5913 -1.5913 -1.5913 -1.5913 5.5341 5.5341 5.5341 5.5341 7.3995 7.3995 7.3995 7.3995 8.0706 8.0706 8.0706 8.0706 9.0071 9.0071 9.0071 9.0071 9.2094 9.2094 9.2094 9.2094 10.0428 10.0428 10.0428 10.0428 10.8920 10.8920 10.8920 10.8920 11.2319 11.2319 11.2319 11.2319 14.6318 14.6318 14.6318 14.6318 k = 0.2609 0.1506 0.3695 ( 2240 PWs) bands (ev): -1.5509 -1.5509 -1.5509 -1.5509 5.4355 5.4355 5.4355 5.4355 7.3884 7.3884 7.3884 7.3884 8.0651 8.0651 8.0651 8.0651 9.0042 9.0042 9.0042 9.0042 9.2163 9.2163 9.2163 9.2163 10.0021 10.0021 10.0021 10.0021 10.9144 10.9144 10.9144 10.9144 11.2000 11.2000 11.2000 11.2000 14.6027 14.6027 14.6027 14.6027 k = 0.2717 0.1569 0.3695 ( 2248 PWs) bands (ev): -1.5098 -1.5098 -1.5098 -1.5098 5.3375 5.3375 5.3375 5.3375 7.3772 7.3772 7.3772 7.3772 8.0579 8.0579 8.0579 8.0579 9.0022 9.0022 9.0022 9.0022 9.2235 9.2235 9.2235 9.2235 9.9601 9.9601 9.9601 9.9601 10.9357 10.9357 10.9357 10.9357 11.1739 11.1739 11.1739 11.1739 14.5768 14.5768 14.5768 14.5768 k = 0.2826 0.1632 0.3695 ( 2244 PWs) bands (ev): -1.4682 -1.4682 -1.4682 -1.4682 5.2405 5.2405 5.2405 5.2405 7.3661 7.3661 7.3661 7.3661 8.0492 8.0492 8.0492 8.0492 9.0015 9.0015 9.0015 9.0015 9.2311 9.2311 9.2311 9.2311 9.9180 9.9180 9.9180 9.9180 10.9511 10.9511 10.9511 10.9511 11.1575 11.1575 11.1575 11.1575 14.5543 14.5543 14.5543 14.5543 k = 0.2935 0.1694 0.3695 ( 2234 PWs) bands (ev): -1.4263 -1.4263 -1.4263 -1.4263 5.1449 5.1449 5.1449 5.1449 7.3552 7.3552 7.3552 7.3552 8.0390 8.0390 8.0390 8.0390 9.0020 9.0020 9.0020 9.0020 9.2389 9.2389 9.2389 9.2389 9.8766 9.8766 9.8766 9.8766 10.9554 10.9554 10.9554 10.9554 11.1551 11.1551 11.1551 11.1551 14.5350 14.5350 14.5350 14.5350 k = 0.3043 0.1757 0.3695 ( 2238 PWs) bands (ev): -1.3842 -1.3842 -1.3842 -1.3842 5.0509 5.0509 5.0509 5.0509 7.3443 7.3443 7.3443 7.3443 8.0276 8.0276 8.0276 8.0276 9.0036 9.0036 9.0036 9.0036 9.2468 9.2468 9.2468 9.2468 9.8362 9.8362 9.8362 9.8362 10.9468 10.9468 10.9468 10.9468 11.1674 11.1674 11.1674 11.1674 14.5189 14.5189 14.5189 14.5189 k = 0.3152 0.1820 0.3695 ( 2238 PWs) bands (ev): -1.3422 -1.3422 -1.3422 -1.3422 4.9589 4.9589 4.9589 4.9589 7.3336 7.3336 7.3336 7.3336 8.0151 8.0151 8.0151 8.0151 9.0064 9.0064 9.0064 9.0064 9.2549 9.2549 9.2549 9.2549 9.7972 9.7972 9.7972 9.7972 10.9288 10.9288 10.9288 10.9288 11.1907 11.1907 11.1907 11.1907 14.5060 14.5060 14.5060 14.5060 k = 0.3261 0.1883 0.3695 ( 2240 PWs) bands (ev): -1.3005 -1.3005 -1.3005 -1.3005 4.8692 4.8692 4.8692 4.8692 7.3232 7.3232 7.3232 7.3232 8.0018 8.0018 8.0018 8.0018 9.0102 9.0102 9.0102 9.0102 9.2631 9.2631 9.2631 9.2631 9.7599 9.7599 9.7599 9.7599 10.9057 10.9057 10.9057 10.9057 11.2202 11.2202 11.2202 11.2202 14.4961 14.4961 14.4961 14.4961 k = 0.3370 0.1945 0.3695 ( 2238 PWs) bands (ev): -1.2593 -1.2593 -1.2593 -1.2593 4.7822 4.7822 4.7822 4.7822 7.3131 7.3131 7.3131 7.3131 7.9879 7.9879 7.9879 7.9879 9.0152 9.0152 9.0152 9.0152 9.2714 9.2714 9.2714 9.2714 9.7242 9.7242 9.7242 9.7242 10.8803 10.8803 10.8803 10.8803 11.2527 11.2527 11.2527 11.2527 14.4891 14.4891 14.4891 14.4891 k = 0.3478 0.2008 0.3695 ( 2242 PWs) bands (ev): -1.2188 -1.2188 -1.2188 -1.2188 4.6984 4.6984 4.6984 4.6984 7.3033 7.3033 7.3033 7.3033 7.9737 7.9737 7.9737 7.9737 9.0211 9.0211 9.0211 9.0211 9.2795 9.2795 9.2795 9.2795 9.6904 9.6904 9.6904 9.6904 10.8543 10.8543 10.8543 10.8543 11.2861 11.2861 11.2861 11.2861 14.4849 14.4849 14.4849 14.4849 k = 0.3587 0.2071 0.3695 ( 2244 PWs) bands (ev): -1.1794 -1.1794 -1.1794 -1.1794 4.6180 4.6180 4.6180 4.6180 7.2940 7.2940 7.2940 7.2940 7.9594 7.9594 7.9594 7.9594 9.0280 9.0280 9.0280 9.0280 9.2875 9.2875 9.2875 9.2875 9.6584 9.6584 9.6584 9.6584 10.8286 10.8286 10.8286 10.8286 11.3194 11.3194 11.3194 11.3194 14.4833 14.4833 14.4833 14.4833 k = 0.3696 0.2134 0.3695 ( 2244 PWs) bands (ev): -1.1413 -1.1413 -1.1413 -1.1413 4.5414 4.5414 4.5414 4.5414 7.2852 7.2852 7.2852 7.2852 7.9452 7.9452 7.9452 7.9452 9.0358 9.0358 9.0358 9.0358 9.2952 9.2952 9.2952 9.2952 9.6283 9.6283 9.6283 9.6283 10.8037 10.8037 10.8037 10.8037 11.3519 11.3519 11.3519 11.3519 14.4841 14.4841 14.4841 14.4841 k = 0.3804 0.2196 0.3695 ( 2240 PWs) bands (ev): -1.1047 -1.1047 -1.1047 -1.1047 4.4692 4.4692 4.4692 4.4692 7.2768 7.2768 7.2768 7.2768 7.9314 7.9314 7.9314 7.9314 9.0442 9.0442 9.0442 9.0442 9.3026 9.3026 9.3026 9.3026 9.6002 9.6002 9.6002 9.6002 10.7800 10.7800 10.7800 10.7800 11.3830 11.3830 11.3830 11.3830 14.4870 14.4870 14.4870 14.4870 k = 0.3913 0.2259 0.3695 ( 2242 PWs) bands (ev): -1.0700 -1.0700 -1.0700 -1.0700 4.4015 4.4015 4.4015 4.4015 7.2690 7.2690 7.2690 7.2690 7.9181 7.9181 7.9181 7.9181 9.0531 9.0531 9.0531 9.0531 9.3095 9.3095 9.3095 9.3095 9.5739 9.5739 9.5739 9.5739 10.7577 10.7577 10.7577 10.7577 11.4123 11.4123 11.4123 11.4123 14.4917 14.4917 14.4917 14.4917 k = 0.4022 0.2322 0.3695 ( 2242 PWs) bands (ev): -1.0374 -1.0374 -1.0374 -1.0374 4.3388 4.3388 4.3388 4.3388 7.2618 7.2618 7.2618 7.2618 7.9055 7.9055 7.9055 7.9055 9.0625 9.0625 9.0625 9.0625 9.3159 9.3159 9.3159 9.3159 9.5496 9.5496 9.5496 9.5496 10.7370 10.7370 10.7370 10.7370 11.4395 11.4395 11.4395 11.4395 14.4980 14.4980 14.4980 14.4980 k = 0.4130 0.2385 0.3695 ( 2238 PWs) bands (ev): -1.0073 -1.0073 -1.0073 -1.0073 4.2816 4.2816 4.2816 4.2816 7.2553 7.2553 7.2553 7.2553 7.8939 7.8939 7.8939 7.8939 9.0722 9.0722 9.0722 9.0722 9.3215 9.3215 9.3215 9.3215 9.5275 9.5275 9.5275 9.5275 10.7182 10.7182 10.7182 10.7182 11.4644 11.4644 11.4644 11.4644 14.5053 14.5053 14.5053 14.5053 k = 0.4239 0.2447 0.3695 ( 2242 PWs) bands (ev): -0.9798 -0.9798 -0.9798 -0.9798 4.2301 4.2301 4.2301 4.2301 7.2494 7.2494 7.2494 7.2494 7.8832 7.8832 7.8832 7.8832 9.0818 9.0818 9.0818 9.0818 9.3262 9.3262 9.3262 9.3262 9.5074 9.5074 9.5074 9.5074 10.7012 10.7012 10.7012 10.7012 11.4868 11.4868 11.4868 11.4868 14.5133 14.5133 14.5133 14.5133 k = 0.4348 0.2510 0.3695 ( 2242 PWs) bands (ev): -0.9554 -0.9554 -0.9554 -0.9554 4.1846 4.1846 4.1846 4.1846 7.2443 7.2443 7.2443 7.2443 7.8737 7.8737 7.8737 7.8737 9.0912 9.0912 9.0912 9.0912 9.3299 9.3299 9.3299 9.3299 9.4898 9.4898 9.4898 9.4898 10.6862 10.6862 10.6862 10.6862 11.5065 11.5065 11.5065 11.5065 14.5215 14.5215 14.5215 14.5215 k = 0.4457 0.2573 0.3695 ( 2230 PWs) bands (ev): -0.9343 -0.9343 -0.9343 -0.9343 4.1456 4.1456 4.1456 4.1456 7.2399 7.2399 7.2399 7.2399 7.8656 7.8656 7.8656 7.8656 9.1003 9.1003 9.1003 9.1003 9.3326 9.3326 9.3326 9.3326 9.4748 9.4748 9.4748 9.4748 10.6734 10.6734 10.6734 10.6734 11.5234 11.5234 11.5234 11.5234 14.5295 14.5295 14.5295 14.5295 k = 0.4565 0.2636 0.3695 ( 2242 PWs) bands (ev): -0.9167 -0.9167 -0.9167 -0.9167 4.1132 4.1132 4.1132 4.1132 7.2362 7.2362 7.2362 7.2362 7.8587 7.8587 7.8587 7.8587 9.1083 9.1083 9.1083 9.1083 9.3341 9.3341 9.3341 9.3341 9.4625 9.4625 9.4625 9.4625 10.6627 10.6627 10.6627 10.6627 11.5373 11.5373 11.5373 11.5373 14.5368 14.5368 14.5368 14.5368 k = 0.4674 0.2698 0.3695 ( 2234 PWs) bands (ev): -0.9027 -0.9027 -0.9027 -0.9027 4.0878 4.0878 4.0878 4.0878 7.2333 7.2333 7.2333 7.2333 7.8534 7.8534 7.8534 7.8534 9.1153 9.1153 9.1153 9.1153 9.3348 9.3348 9.3348 9.3348 9.4531 9.4531 9.4531 9.4531 10.6544 10.6544 10.6544 10.6544 11.5483 11.5483 11.5483 11.5483 14.5430 14.5430 14.5430 14.5430 k = 0.4783 0.2761 0.3695 ( 2234 PWs) bands (ev): -0.8926 -0.8926 -0.8926 -0.8926 4.0695 4.0695 4.0695 4.0695 7.2313 7.2313 7.2313 7.2313 7.8495 7.8495 7.8495 7.8495 9.1206 9.1206 9.1206 9.1206 9.3349 9.3349 9.3349 9.3349 9.4465 9.4465 9.4465 9.4465 10.6484 10.6484 10.6484 10.6484 11.5561 11.5561 11.5561 11.5561 14.5477 14.5477 14.5477 14.5477 k = 0.4891 0.2824 0.3695 ( 2228 PWs) bands (ev): -0.8865 -0.8865 -0.8865 -0.8865 4.0585 4.0585 4.0585 4.0585 7.2300 7.2300 7.2300 7.2300 7.8471 7.8471 7.8471 7.8471 9.1240 9.1240 9.1240 9.1240 9.3347 9.3347 9.3347 9.3347 9.4427 9.4427 9.4427 9.4427 10.6448 10.6448 10.6448 10.6448 11.5608 11.5608 11.5608 11.5608 14.5506 14.5506 14.5506 14.5506 k = 0.5000 0.2887 0.3695 ( 2220 PWs) bands (ev): -0.8845 -0.8845 -0.8845 -0.8845 4.0548 4.0548 4.0548 4.0548 7.2296 7.2296 7.2296 7.2296 7.8464 7.8464 7.8464 7.8464 9.1252 9.1252 9.1252 9.1252 9.3347 9.3347 9.3347 9.3347 9.4415 9.4415 9.4415 9.4415 10.6436 10.6436 10.6436 10.6436 11.5624 11.5624 11.5624 11.5624 14.5516 14.5516 14.5516 14.5517 k = 0.5000 0.2887 0.3695 ( 2220 PWs) bands (ev): -0.8845 -0.8845 -0.8845 -0.8845 4.0548 4.0548 4.0548 4.0548 7.2296 7.2296 7.2296 7.2296 7.8464 7.8464 7.8464 7.8464 9.1252 9.1252 9.1252 9.1252 9.3347 9.3347 9.3347 9.3347 9.4415 9.4415 9.4415 9.4415 10.6436 10.6436 10.6436 10.6436 11.5624 11.5624 11.5624 11.5624 14.5516 14.5516 14.5516 14.5517 k = 0.4938 0.2994 0.3695 ( 2224 PWs) bands (ev): -0.8841 -0.8841 -0.8839 -0.8839 4.0560 4.0560 4.0562 4.0562 7.2120 7.2120 7.2320 7.2320 7.8394 7.8394 7.8580 7.8580 9.1233 9.1233 9.1273 9.1273 9.3295 9.3295 9.3403 9.3403 9.4387 9.4387 9.4442 9.4442 10.6317 10.6317 10.6371 10.6371 11.5660 11.5660 11.5859 11.5859 14.5498 14.5498 14.5613 14.5613 k = 0.4877 0.3101 0.3695 ( 2228 PWs) bands (ev): -0.8828 -0.8828 -0.8823 -0.8823 4.0599 4.0599 4.0603 4.0603 7.1804 7.1804 7.2186 7.2186 7.8377 7.8377 7.8730 7.8730 9.1216 9.1216 9.1294 9.1294 9.3249 9.3249 9.3465 9.3465 9.4359 9.4359 9.4470 9.4470 10.6037 10.6037 10.6130 10.6130 11.5955 11.5955 11.6338 11.6338 14.5558 14.5558 14.5788 14.5788 k = 0.4815 0.3208 0.3695 ( 2232 PWs) bands (ev): -0.8806 -0.8806 -0.8797 -0.8797 4.0665 4.0665 4.0671 4.0671 7.1365 7.1365 7.1899 7.1899 7.8408 7.8408 7.8901 7.8901 9.1202 9.1202 9.1317 9.1317 9.3206 9.3206 9.3532 9.3532 9.4329 9.4329 9.4500 9.4500 10.5640 10.5640 10.5753 10.5753 11.6468 11.6468 11.7015 11.7015 14.5697 14.5697 14.6042 14.6042 k = 0.4753 0.3314 0.3695 ( 2230 PWs) bands (ev): -0.8774 -0.8774 -0.8763 -0.8763 4.0757 4.0757 4.0765 4.0765 7.0819 7.0819 7.1475 7.1475 7.8478 7.8478 7.9080 7.9080 9.1190 9.1190 9.1338 9.1338 9.3169 9.3169 9.3605 9.3605 9.4301 9.4301 9.4534 9.4534 10.5172 10.5172 10.5286 10.5286 11.7146 11.7146 11.7839 11.7839 14.5917 14.5917 14.6376 14.6376 k = 0.4691 0.3421 0.3695 ( 2234 PWs) bands (ev): -0.8733 -0.8733 -0.8719 -0.8719 4.0876 4.0876 4.0886 4.0886 7.0182 7.0182 7.0930 7.0930 7.8574 7.8574 7.9256 7.9256 9.1181 9.1181 9.1358 9.1358 9.3134 9.3134 9.3680 9.3680 9.4274 9.4274 9.4572 9.4572 10.4669 10.4669 10.4771 10.4771 11.7939 11.7939 11.8763 11.8763 14.6218 14.6218 14.6792 14.6792 k = 0.4630 0.3528 0.3695 ( 2234 PWs) bands (ev): -0.8683 -0.8683 -0.8666 -0.8666 4.1020 4.1020 4.1034 4.1034 6.9467 6.9467 7.0283 7.0283 7.8683 7.8683 7.9423 7.9423 9.1174 9.1174 9.1376 9.1376 9.3102 9.3102 9.3755 9.3755 9.4253 9.4253 9.4617 9.4617 10.4157 10.4157 10.4238 10.4238 11.8808 11.8808 11.9754 11.9754 14.6604 14.6604 14.7290 14.7290 k = 0.4568 0.3635 0.3695 ( 2238 PWs) bands (ev): -0.8625 -0.8625 -0.8606 -0.8606 4.1190 4.1190 4.1208 4.1208 6.8684 6.8684 6.9551 6.9551 7.8795 7.8795 7.9576 7.9576 9.1168 9.1168 9.1391 9.1391 9.3071 9.3071 9.3822 9.3822 9.4246 9.4246 9.4669 9.4669 10.3653 10.3653 10.3709 10.3709 11.9721 11.9721 12.0782 12.0782 14.7076 14.7076 14.7873 14.7873 k = 0.4506 0.3742 0.3695 ( 2238 PWs) bands (ev): -0.8560 -0.8560 -0.8537 -0.8537 4.1386 4.1386 4.1409 4.1409 6.7844 6.7844 6.8748 6.8748 7.8905 7.8905 7.9714 7.9714 9.1165 9.1165 9.1403 9.1403 9.3041 9.3041 9.3866 9.3866 9.4266 9.4266 9.4730 9.4730 10.3167 10.3167 10.3195 10.3195 12.0656 12.0656 12.1826 12.1826 14.7635 14.7635 14.8540 14.8540 k = 0.4444 0.3849 0.3695 ( 2234 PWs) bands (ev): -0.8486 -0.8486 -0.8461 -0.8461 4.1607 4.1607 4.1636 4.1636 6.6956 6.6956 6.7887 6.7887 7.9008 7.9008 7.9836 7.9836 9.1164 9.1164 9.1413 9.1413 9.3010 9.3010 9.3878 9.3878 9.4325 9.4325 9.4802 9.4802 10.2704 10.2704 10.2706 10.2706 12.1591 12.1591 12.2865 12.2865 14.8284 14.8284 14.9290 14.9290 k = 0.4383 0.3956 0.3695 ( 2238 PWs) bands (ev): -0.8407 -0.8407 -0.8379 -0.8379 4.1853 4.1853 4.1889 4.1889 6.6027 6.6027 6.6979 6.6979 7.9101 7.9101 7.9943 7.9943 9.1164 9.1164 9.1419 9.1419 9.2976 9.2976 9.3861 9.3861 9.4418 9.4418 9.4884 9.4884 10.2240 10.2240 10.2272 10.2272 12.2513 12.2513 12.3884 12.3884 14.9020 14.9020 15.0122 15.0122 k = 0.4321 0.4063 0.3695 ( 2234 PWs) bands (ev): -0.8321 -0.8321 -0.8291 -0.8291 4.2122 4.2122 4.2168 4.2168 6.5067 6.5067 6.6036 6.6036 7.9184 7.9184 8.0034 8.0034 9.1166 9.1166 9.1424 9.1424 9.2940 9.2940 9.3825 9.3825 9.4537 9.4537 9.4978 9.4978 10.1805 10.1805 10.1867 10.1867 12.3410 12.3410 12.4872 12.4872 14.9844 14.9844 15.1033 15.1033 k = 0.4259 0.4170 0.3695 ( 2238 PWs) bands (ev): -0.8231 -0.8231 -0.8198 -0.8198 4.2415 4.2415 4.2472 4.2472 6.4081 6.4081 6.5065 6.5065 7.9256 7.9256 8.0111 8.0111 9.1169 9.1169 9.1428 9.1428 9.2900 9.2900 9.3779 9.3779 9.4671 9.4671 9.5082 9.5082 10.1397 10.1397 10.1489 10.1489 12.4271 12.4271 12.5816 12.5816 15.0752 15.0752 15.2016 15.2016 k = 0.4198 0.4277 0.3695 ( 2246 PWs) bands (ev): -0.8137 -0.8137 -0.8101 -0.8101 4.2731 4.2731 4.2801 4.2801 6.3078 6.3078 6.4076 6.4076 7.9317 7.9317 8.0174 8.0174 9.1174 9.1174 9.1432 9.1432 9.2856 9.2856 9.3725 9.3725 9.4817 9.4817 9.5197 9.5197 10.1017 10.1017 10.1138 10.1138 12.5089 12.5089 12.6710 12.6710 15.1737 15.1737 15.3064 15.3064 k = 0.4136 0.4384 0.3695 ( 2250 PWs) bands (ev): -0.8039 -0.8039 -0.8001 -0.8001 4.3068 4.3068 4.3154 4.3154 6.2065 6.2065 6.3078 6.3078 7.9367 7.9367 8.0226 8.0226 9.1179 9.1179 9.1436 9.1436 9.2808 9.2808 9.3667 9.3667 9.4973 9.4973 9.5321 9.5321 10.0663 10.0663 10.0812 10.0812 12.5860 12.5860 12.7547 12.7547 15.2791 15.2791 15.4166 15.4166 k = 0.4074 0.4491 0.3695 ( 2246 PWs) bands (ev): -0.7940 -0.7940 -0.7900 -0.7900 4.3425 4.3425 4.3532 4.3532 6.1048 6.1048 6.2078 6.2078 7.9409 7.9409 8.0268 8.0268 9.1188 9.1188 9.1443 9.1443 9.2756 9.2756 9.3607 9.3607 9.5137 9.5137 9.5453 9.5453 10.0333 10.0333 10.0511 10.0511 12.6580 12.6580 12.8324 12.8324 15.3904 15.3904 15.5311 15.5311 k = 0.4012 0.4597 0.3695 ( 2244 PWs) bands (ev): -0.7839 -0.7839 -0.7797 -0.7797 4.3801 4.3801 4.3934 4.3934 6.0033 6.0033 6.1085 6.1085 7.9443 7.9443 8.0301 8.0301 9.1198 9.1198 9.1454 9.1454 9.2700 9.2700 9.3546 9.3546 9.5307 9.5307 9.5593 9.5593 10.0023 10.0023 10.0230 10.0230 12.7246 12.7246 12.9040 12.9040 15.5062 15.5062 15.6482 15.6482 k = 0.3951 0.4704 0.3695 ( 2240 PWs) bands (ev): -0.7740 -0.7740 -0.7696 -0.7696 4.4194 4.4194 4.4358 4.4358 5.9027 5.9027 6.0106 6.0106 7.9469 7.9469 8.0326 8.0326 9.1210 9.1210 9.1468 9.1468 9.2641 9.2641 9.3486 9.3486 9.5484 9.5484 9.5738 9.5738 9.9732 9.9732 9.9969 9.9969 12.7857 12.7857 12.9693 12.9693 15.6252 15.6252 15.7665 15.7665 k = 0.3889 0.4811 0.3695 ( 2244 PWs) bands (ev): -0.7642 -0.7642 -0.7596 -0.7596 4.4600 4.4600 4.4803 4.4803 5.8036 5.8036 5.9150 5.9150 7.9488 7.9488 8.0345 8.0345 9.1223 9.1223 9.1486 9.1486 9.2578 9.2578 9.3424 9.3424 9.5665 9.5665 9.5887 9.5887 9.9456 9.9456 9.9724 9.9724 12.8413 12.8413 13.0283 13.0283 15.7458 15.7458 15.8842 15.8842 k = 0.3827 0.4918 0.3695 ( 2244 PWs) bands (ev): -0.7548 -0.7548 -0.7500 -0.7500 4.5017 4.5017 4.5269 4.5269 5.7066 5.7066 5.8225 5.8225 7.9502 7.9502 8.0358 8.0358 9.1238 9.1238 9.1509 9.1509 9.2512 9.2512 9.3365 9.3365 9.5850 9.5850 9.6039 9.6039 9.9196 9.9196 9.9496 9.9496 12.8912 12.8912 13.0812 13.0812 15.8664 15.8664 15.9992 15.9992 k = 0.3765 0.5025 0.3695 ( 2240 PWs) bands (ev): -0.7458 -0.7458 -0.7409 -0.7409 4.5439 4.5439 4.5753 4.5753 5.6124 5.6124 5.7341 5.7341 7.9512 7.9512 8.0367 8.0367 9.1255 9.1255 9.1538 9.1538 9.2444 9.2444 9.3308 9.3308 9.6038 9.6038 9.6191 9.6191 9.8948 9.8948 9.9285 9.9285 12.9354 12.9354 13.1279 13.1279 15.9854 15.9854 16.1097 16.1097 k = 0.3704 0.5132 0.3695 ( 2240 PWs) bands (ev): -0.7375 -0.7375 -0.7325 -0.7325 4.5859 4.5859 4.6252 4.6252 5.5217 5.5217 5.6509 5.6509 7.9518 7.9518 8.0372 8.0372 9.1272 9.1272 9.1572 9.1572 9.2374 9.2374 9.3254 9.3254 9.6229 9.6229 9.6341 9.6341 9.8711 9.8711 9.9088 9.9088 12.9740 12.9740 13.1685 13.1685 16.1013 16.1013 16.2136 16.2136 k = 0.3642 0.5239 0.3695 ( 2242 PWs) bands (ev): -0.7300 -0.7300 -0.7248 -0.7248 4.6266 4.6266 4.6762 4.6762 5.4353 5.4353 5.5744 5.5744 7.9520 7.9520 8.0374 8.0374 9.1289 9.1289 9.1613 9.1613 9.2300 9.2300 9.3204 9.3204 9.6421 9.6421 9.6486 9.6486 9.8483 9.8483 9.8908 9.8908 13.0069 13.0069 13.2030 13.2030 16.2125 16.2125 16.3087 16.3087 k = 0.3580 0.5346 0.3695 ( 2242 PWs) bands (ev): -0.7235 -0.7235 -0.7182 -0.7182 4.6648 4.6648 4.7275 4.7275 5.3544 5.3544 5.5063 5.5063 7.9521 7.9521 8.0374 8.0374 9.1305 9.1305 9.1660 9.1660 9.2227 9.2227 9.3160 9.3160 9.6615 9.6615 9.6621 9.6621 9.8264 9.8264 9.8746 9.8746 13.0340 13.0340 13.2314 13.2314 16.3175 16.3175 16.3925 16.3925 k = 0.3519 0.5453 0.3695 ( 2242 PWs) bands (ev): -0.7182 -0.7182 -0.7128 -0.7128 4.6985 4.6985 4.7774 4.7774 5.2809 5.2809 5.4489 5.4489 7.9521 7.9521 8.0374 8.0374 9.1320 9.1320 9.1713 9.1713 9.2152 9.2152 9.3123 9.3123 9.6742 9.6742 9.6809 9.6809 9.8052 9.8052 9.8607 9.8607 13.0552 13.0552 13.2537 13.2537 16.4141 16.4141 16.4620 16.4620 k = 0.3457 0.5560 0.3695 ( 2238 PWs) bands (ev): -0.7141 -0.7141 -0.7087 -0.7087 4.7252 4.7252 4.8229 4.8229 5.2182 5.2182 5.4049 5.4049 7.9520 7.9520 8.0373 8.0373 9.1332 9.1332 9.1772 9.1772 9.2078 9.2078 9.3096 9.3096 9.6841 9.6841 9.7002 9.7002 9.7848 9.7848 9.8497 9.8497 13.0705 13.0705 13.2697 13.2697 16.4987 16.4987 16.5141 16.5141 k = 0.3395 0.5667 0.3695 ( 2246 PWs) bands (ev): -0.7116 -0.7116 -0.7061 -0.7061 4.7424 4.7424 4.8576 4.8576 5.1731 5.1731 5.3771 5.3771 7.9519 7.9519 8.0371 8.0371 9.1340 9.1340 9.1833 9.1833 9.2006 9.2006 9.3077 9.3077 9.6906 9.6906 9.7184 9.7184 9.7658 9.7658 9.8425 9.8425 13.0797 13.0797 13.2793 13.2793 16.5456 16.5456 16.5628 16.5628 k = 0.3333 0.5774 0.3695 ( 2238 PWs) bands (ev): -0.7107 -0.7107 -0.7052 -0.7052 4.7482 4.7482 4.8711 4.8711 5.1560 5.1560 5.3677 5.3677 7.9519 7.9519 8.0371 8.0371 9.1343 9.1343 9.1876 9.1876 9.1961 9.1961 9.3071 9.3071 9.6929 9.6929 9.7295 9.7295 9.7547 9.7547 9.8401 9.8401 13.0828 13.0828 13.2826 13.2826 16.5558 16.5558 16.5883 16.5883 k = 0.3333 0.5774 0.3695 ( 2238 PWs) bands (ev): -0.7107 -0.7107 -0.7052 -0.7052 4.7482 4.7482 4.8711 4.8711 5.1560 5.1560 5.3677 5.3677 7.9519 7.9519 8.0371 8.0371 9.1343 9.1343 9.1876 9.1876 9.1961 9.1961 9.3071 9.3071 9.6929 9.6929 9.7295 9.7295 9.7547 9.7547 9.8401 9.8401 13.0828 13.0828 13.2826 13.2826 16.5558 16.5558 16.5883 16.5883 k = 0.3270 0.5665 0.3695 ( 2242 PWs) bands (ev): -0.7117 -0.7117 -0.7062 -0.7062 4.7426 4.7426 4.8579 4.8579 5.1730 5.1730 5.3772 5.3772 7.9519 7.9519 8.0372 8.0372 9.1339 9.1339 9.1829 9.1829 9.2010 9.2010 9.3078 9.3078 9.6905 9.6905 9.7182 9.7182 9.7661 9.7661 9.8426 9.8426 13.0796 13.0796 13.2792 13.2792 16.5466 16.5466 16.5649 16.5649 k = 0.3208 0.5556 0.3695 ( 2246 PWs) bands (ev): -0.7147 -0.7147 -0.7093 -0.7093 4.7275 4.7275 4.8265 4.8265 5.2158 5.2158 5.4037 5.4037 7.9521 7.9521 8.0374 8.0374 9.1329 9.1329 9.1756 9.1756 9.2094 9.2094 9.3099 9.3099 9.6839 9.6839 9.6999 9.6999 9.7848 9.7848 9.8497 9.8497 13.0699 13.0699 13.2690 13.2690 16.5137 16.5137 16.5227 16.5227 k = 0.3145 0.5447 0.3695 ( 2240 PWs) bands (ev): -0.7199 -0.7199 -0.7145 -0.7145 4.7064 4.7064 4.7885 4.7885 5.2728 5.2728 5.4440 5.4440 7.9526 7.9526 8.0378 8.0378 9.1311 9.1311 9.1681 9.1681 9.2187 9.2187 9.3136 9.3136 9.6743 9.6743 9.6809 9.6809 9.8048 9.8048 9.8604 9.8604 13.0538 13.0538 13.2521 13.2521 16.4539 16.4539 16.4893 16.4893 k = 0.3082 0.5338 0.3695 ( 2244 PWs) bands (ev): -0.7274 -0.7274 -0.7221 -0.7221 4.6828 4.6828 4.7505 4.7505 5.3378 5.3378 5.4947 5.4947 7.9533 7.9533 8.0384 8.0384 9.1286 9.1286 9.1606 9.1606 9.2287 9.2287 9.3187 9.3187 9.6618 9.6618 9.6625 9.6625 9.8249 9.8249 9.8734 9.8734 13.0315 13.0315 13.2285 13.2285 16.3931 16.3931 16.4508 16.4508 k = 0.3019 0.5229 0.3695 ( 2248 PWs) bands (ev): -0.7373 -0.7373 -0.7321 -0.7321 4.6594 4.6594 4.7157 4.7157 5.4075 5.4075 5.5534 5.5534 7.9542 7.9542 8.0393 8.0393 9.1253 9.1253 9.1531 9.1531 9.2391 9.2391 9.3251 9.3251 9.6429 9.6429 9.6495 9.6495 9.8452 9.8452 9.8881 9.8881 13.0030 13.0030 13.1984 13.1984 16.3336 16.3336 16.4096 16.4096 k = 0.2956 0.5120 0.3695 ( 2244 PWs) bands (ev): -0.7497 -0.7497 -0.7447 -0.7447 4.6380 4.6380 4.6855 4.6855 5.4805 5.4805 5.6178 5.6178 7.9556 7.9556 8.0405 8.0405 9.1215 9.1215 9.1458 9.1458 9.2501 9.2501 9.3331 9.3331 9.6245 9.6245 9.6359 9.6359 9.8655 9.8655 9.9039 9.9039 12.9687 12.9687 13.1622 13.1622 16.2763 16.2763 16.3672 16.3672 k = 0.2893 0.5011 0.3695 ( 2248 PWs) bands (ev): -0.7647 -0.7647 -0.7598 -0.7598 4.6202 4.6202 4.6608 4.6608 5.5560 5.5560 5.6867 5.6867 7.9573 7.9573 8.0420 8.0420 9.1170 9.1170 9.1386 9.1386 9.2614 9.2614 9.3421 9.3421 9.6065 9.6065 9.6224 9.6224 9.8858 9.8858 9.9204 9.9204 12.9287 12.9287 13.1201 13.1201 16.2211 16.2211 16.3244 16.3244 k = 0.2830 0.4902 0.3695 ( 2248 PWs) bands (ev): -0.7822 -0.7822 -0.7775 -0.7775 4.6068 4.6068 4.6421 4.6421 5.6333 5.6333 5.7591 5.7591 7.9594 7.9594 8.0438 8.0438 9.1121 9.1121 9.1316 9.1316 9.2727 9.2727 9.3521 9.3521 9.5894 9.5894 9.6092 9.6092 9.9062 9.9062 9.9375 9.9375 12.8837 12.8837 13.0726 13.0726 16.1677 16.1677 16.2813 16.2813 k = 0.2767 0.4793 0.3695 ( 2250 PWs) bands (ev): -0.8023 -0.8023 -0.7978 -0.7978 4.5984 4.5984 4.6296 4.6296 5.7120 5.7120 5.8341 5.8341 7.9619 7.9619 8.0460 8.0460 9.1069 9.1069 9.1249 9.1249 9.2839 9.2839 9.3625 9.3625 9.5735 9.5735 9.5970 9.5970 9.9266 9.9266 9.9550 9.9550 12.8339 12.8339 13.0202 13.0202 16.1156 16.1156 16.2378 16.2378 k = 0.2704 0.4684 0.3695 ( 2250 PWs) bands (ev): -0.8249 -0.8249 -0.8206 -0.8206 4.5955 4.5955 4.6235 4.6235 5.7919 5.7919 5.9111 5.9111 7.9649 7.9649 8.0484 8.0484 9.1013 9.1013 9.1184 9.1184 9.2946 9.2946 9.3729 9.3729 9.5595 9.5595 9.5864 9.5864 9.9470 9.9470 9.9728 9.9728 12.7798 12.7798 12.9635 12.9635 16.0646 16.0646 16.1938 16.1938 k = 0.2642 0.4575 0.3695 ( 2254 PWs) bands (ev): -0.8500 -0.8500 -0.8459 -0.8459 4.5983 4.5983 4.6237 4.6237 5.8727 5.8727 5.9896 5.9896 7.9683 7.9683 8.0512 8.0512 9.0955 9.0955 9.1122 9.1122 9.3041 9.3041 9.3822 9.3822 9.5485 9.5485 9.5779 9.5779 9.9674 9.9674 9.9908 9.9908 12.7219 12.7219 12.9029 12.9029 16.0141 16.0141 16.1491 16.1491 k = 0.2579 0.4466 0.3695 ( 2250 PWs) bands (ev): -0.8774 -0.8774 -0.8736 -0.8736 4.6070 4.6070 4.6304 4.6304 5.9539 5.9539 6.0692 6.0692 7.9722 7.9722 8.0543 8.0543 9.0895 9.0895 9.1063 9.1063 9.3121 9.3121 9.3891 9.3891 9.5418 9.5418 9.5725 9.5725 9.9879 9.9879 10.0090 10.0090 12.6608 12.6608 12.8391 12.8391 15.9640 15.9640 16.1035 16.1035 k = 0.2516 0.4357 0.3695 ( 2252 PWs) bands (ev): -0.9072 -0.9072 -0.9035 -0.9035 4.6215 4.6215 4.6434 4.6434 6.0355 6.0355 6.1495 6.1495 7.9766 7.9766 8.0577 8.0577 9.0834 9.0834 9.1007 9.1007 9.3176 9.3176 9.3920 9.3920 9.5413 9.5413 9.5710 9.5710 10.0084 10.0084 10.0273 10.0273 12.5969 12.5969 12.7727 12.7727 15.9141 15.9141 16.0571 16.0571 k = 0.2453 0.4248 0.3695 ( 2252 PWs) bands (ev): -0.9390 -0.9390 -0.9356 -0.9356 4.6419 4.6419 4.6625 4.6625 6.1171 6.1171 6.2301 6.2301 7.9815 7.9815 8.0614 8.0614 9.0772 9.0772 9.0955 9.0955 9.3201 9.3201 9.3899 9.3899 9.5479 9.5479 9.5741 9.5741 10.0289 10.0289 10.0457 10.0457 12.5308 12.5308 12.7041 12.7041 15.8643 15.8643 16.0100 16.0100 k = 0.2390 0.4139 0.3695 ( 2248 PWs) bands (ev): -0.9729 -0.9729 -0.9697 -0.9697 4.6681 4.6681 4.6877 4.6877 6.1985 6.1985 6.3105 6.3105 7.9869 7.9869 8.0653 8.0653 9.0710 9.0710 9.0907 9.0907 9.3194 9.3194 9.3833 9.3833 9.5617 9.5617 9.5825 9.5825 10.0494 10.0494 10.0641 10.0641 12.4629 12.4629 12.6340 12.6340 15.8148 15.8148 15.9623 15.9623 k = 0.2327 0.4031 0.3695 ( 2250 PWs) bands (ev): -1.0085 -1.0085 -1.0056 -1.0056 4.6999 4.6999 4.7188 4.7188 6.2793 6.2793 6.3905 6.3905 7.9928 7.9928 8.0694 8.0694 9.0649 9.0649 9.0862 9.0862 9.3154 9.3154 9.3733 9.3733 9.5813 9.5813 9.5962 9.5962 10.0699 10.0699 10.0825 10.0825 12.3937 12.3937 12.5628 12.5628 15.7656 15.7656 15.9142 15.9142 k = 0.2264 0.3922 0.3695 ( 2246 PWs) bands (ev): -1.0458 -1.0458 -1.0430 -1.0430 4.7371 4.7371 4.7555 4.7555 6.3592 6.3592 6.4695 6.4695 7.9991 7.9991 8.0738 8.0738 9.0588 9.0588 9.0822 9.0822 9.3088 9.3088 9.3612 9.3612 9.6060 9.6060 9.6150 9.6150 10.0904 10.0904 10.1010 10.1010 12.3236 12.3236 12.4911 12.4911 15.7169 15.7169 15.8662 15.8662 k = 0.2201 0.3813 0.3695 ( 2246 PWs) bands (ev): -1.0845 -1.0845 -1.0820 -1.0820 4.7796 4.7796 4.7976 4.7976 6.4380 6.4380 6.5473 6.5473 8.0059 8.0059 8.0782 8.0782 9.0527 9.0527 9.0786 9.0786 9.2999 9.2999 9.3479 9.3479 9.6348 9.6348 9.6385 9.6385 10.1108 10.1108 10.1193 10.1193 12.2532 12.2532 12.4193 12.4193 15.6689 15.6689 15.8183 15.8183 k = 0.2138 0.3704 0.3695 ( 2246 PWs) bands (ev): -1.1244 -1.1244 -1.1221 -1.1221 4.8272 4.8272 4.8448 4.8448 6.5154 6.5154 6.6235 6.6235 8.0131 8.0131 8.0827 8.0827 9.0469 9.0469 9.0755 9.0755 9.2894 9.2894 9.3341 9.3341 9.6665 9.6665 9.6675 9.6675 10.1310 10.1310 10.1374 10.1374 12.1829 12.1829 12.3479 12.3479 15.6218 15.6218 15.7711 15.7711 k = 0.2075 0.3595 0.3695 ( 2246 PWs) bands (ev): -1.1653 -1.1653 -1.1632 -1.1632 4.8796 4.8796 4.8969 4.8969 6.5910 6.5910 6.6977 6.6977 8.0206 8.0206 8.0872 8.0872 9.0411 9.0411 9.0728 9.0728 9.2778 9.2778 9.3203 9.3203 9.6986 9.6986 9.7038 9.7038 10.1511 10.1511 10.1553 10.1553 12.1131 12.1131 12.2774 12.2774 15.5760 15.5760 15.7248 15.7248 k = 0.2013 0.3486 0.3695 ( 2250 PWs) bands (ev): -1.2071 -1.2071 -1.2052 -1.2052 4.9364 4.9364 4.9537 4.9537 6.6645 6.6645 6.7695 6.7695 8.0285 8.0285 8.0916 8.0916 9.0356 9.0356 9.0706 9.0706 9.2657 9.2657 9.3067 9.3067 9.7346 9.7346 9.7437 9.7437 10.1708 10.1708 10.1727 10.1727 12.0442 12.0442 12.2083 12.2083 15.5317 15.5317 15.6798 15.6798 k = 0.1950 0.3377 0.3695 ( 2250 PWs) bands (ev): -1.2495 -1.2495 -1.2477 -1.2477 4.9976 4.9976 5.0147 5.0147 6.7357 6.7357 6.8386 6.8386 8.0364 8.0364 8.0958 8.0958 9.0304 9.0304 9.0689 9.0689 9.2532 9.2532 9.2935 9.2935 9.7744 9.7744 9.7872 9.7872 10.1896 10.1896 10.1901 10.1901 11.9768 11.9768 12.1410 12.1410 15.4890 15.4890 15.6362 15.6362 k = 0.1887 0.3268 0.3695 ( 2254 PWs) bands (ev): -1.2923 -1.2923 -1.2907 -1.2907 5.0628 5.0628 5.0798 5.0798 6.8042 6.8042 6.9046 6.9046 8.0445 8.0445 8.0997 8.0997 9.0256 9.0256 9.0677 9.0677 9.2408 9.2408 9.2809 9.2809 9.8180 9.8180 9.8343 9.8343 10.2058 10.2058 10.2089 10.2089 11.9113 11.9113 12.0760 12.0760 15.4483 15.4483 15.5945 15.5945 k = 0.1824 0.3159 0.3695 ( 2248 PWs) bands (ev): -1.3353 -1.3353 -1.3339 -1.3339 5.1317 5.1317 5.1486 5.1486 6.8699 6.8699 6.9672 6.9672 8.0524 8.0524 8.1033 8.1033 9.0213 9.0213 9.0670 9.0670 9.2288 9.2288 9.2691 9.2691 9.8653 9.8653 9.8850 9.8850 10.2211 10.2211 10.2270 10.2270 11.8482 11.8482 12.0138 12.0138 15.4098 15.4098 15.5548 15.5548 k = 0.1761 0.3050 0.3695 ( 2252 PWs) bands (ev): -1.3784 -1.3784 -1.3771 -1.3771 5.2041 5.2041 5.2208 5.2208 6.9324 6.9324 7.0263 7.0263 8.0601 8.0601 8.1063 8.1063 9.0174 9.0174 9.0668 9.0668 9.2171 9.2171 9.2580 9.2580 9.9161 9.9161 9.9393 9.9393 10.2351 10.2351 10.2441 10.2441 11.7880 11.7880 11.9549 11.9549 15.3737 15.3737 15.5174 15.5174 k = 0.1698 0.2941 0.3695 ( 2252 PWs) bands (ev): -1.4213 -1.4213 -1.4202 -1.4202 5.2796 5.2796 5.2962 5.2962 6.9916 6.9916 7.0817 7.0817 8.0673 8.0673 8.1088 8.1088 9.0142 9.0142 9.0670 9.0670 9.2059 9.2059 9.2477 9.2477 9.9706 9.9706 9.9969 9.9969 10.2476 10.2476 10.2603 10.2603 11.7314 11.7314 11.9000 11.9000 15.3403 15.3403 15.4826 15.4826 k = 0.1635 0.2832 0.3695 ( 2256 PWs) bands (ev): -1.4640 -1.4640 -1.4630 -1.4630 5.3579 5.3579 5.3744 5.3744 7.0474 7.0474 7.1331 7.1331 8.0738 8.0738 8.1104 8.1104 9.0117 9.0117 9.0678 9.0678 9.1956 9.1956 9.2382 9.2382 10.0284 10.0284 10.0575 10.0575 10.2584 10.2584 10.2755 10.2755 11.6789 11.6789 11.8494 11.8494 15.3097 15.3097 15.4506 15.4506 k = 0.1572 0.2723 0.3695 ( 2256 PWs) bands (ev): -1.5062 -1.5062 -1.5053 -1.5053 5.4387 5.4387 5.4551 5.4551 7.0996 7.0996 7.1807 7.1807 8.0795 8.0795 8.1113 8.1113 9.0100 9.0100 9.0689 9.0689 9.1859 9.1859 9.2295 9.2295 10.0893 10.0893 10.1197 10.1197 10.2674 10.2674 10.2906 10.2906 11.6312 11.6312 11.8039 11.8039 15.2822 15.2822 15.4215 15.4215 k = 0.1509 0.2614 0.3695 ( 2256 PWs) bands (ev): -1.5477 -1.5477 -1.5470 -1.5470 5.5219 5.5219 5.5380 5.5380 7.1483 7.1483 7.2244 7.2244 8.0841 8.0841 8.1112 8.1112 9.0091 9.0091 9.0706 9.0706 9.1770 9.1770 9.2216 9.2216 10.1523 10.1523 10.1802 10.1802 10.2751 10.2751 10.3082 10.3082 11.5891 11.5891 11.7640 11.7640 15.2580 15.2580 15.3955 15.3955 k = 0.1447 0.2505 0.3695 ( 2258 PWs) bands (ev): -1.5885 -1.5885 -1.5879 -1.5879 5.6069 5.6069 5.6229 5.6229 7.1933 7.1933 7.2642 7.2642 8.0873 8.0873 8.1099 8.1099 9.0092 9.0092 9.0725 9.0725 9.1690 9.1690 9.2143 9.2143 10.2127 10.2127 10.2293 10.2293 10.2856 10.2856 10.3375 10.3375 11.5531 11.5531 11.7302 11.7302 15.2372 15.2372 15.3729 15.3729 k = 0.1384 0.2397 0.3695 ( 2262 PWs) bands (ev): -1.6285 -1.6285 -1.6279 -1.6279 5.6936 5.6936 5.7093 5.7093 7.2348 7.2348 7.3004 7.3004 8.0891 8.0891 8.1075 8.1075 9.0102 9.0102 9.0748 9.0748 9.1618 9.1618 9.2078 9.2078 10.2487 10.2487 10.2549 10.2549 10.3200 10.3200 10.3898 10.3898 11.5240 11.5240 11.7029 11.7029 15.2201 15.2201 15.3538 15.3538 k = 0.1321 0.2288 0.3695 ( 2262 PWs) bands (ev): -1.6674 -1.6674 -1.6669 -1.6669 5.7817 5.7817 5.7970 5.7970 7.2728 7.2728 7.3330 7.3330 8.0892 8.0892 8.1039 8.1039 9.0122 9.0122 9.0775 9.0775 9.1556 9.1556 9.2019 9.2019 10.2532 10.2532 10.2616 10.2616 10.3852 10.3852 10.4598 10.4598 11.5021 11.5021 11.6824 11.6824 15.2068 15.2068 15.3384 15.3384 k = 0.1258 0.2179 0.3695 ( 2258 PWs) bands (ev): -1.7052 -1.7052 -1.7047 -1.7047 5.8708 5.8708 5.8857 5.8857 7.3075 7.3075 7.3624 7.3624 8.0874 8.0874 8.0988 8.0988 9.0151 9.0151 9.0804 9.0804 9.1502 9.1502 9.1965 9.1965 10.2467 10.2467 10.2581 10.2581 10.4602 10.4602 10.5384 10.5384 11.4880 11.4880 11.6689 11.6689 15.1975 15.1975 15.3268 15.3268 k = 0.1195 0.2070 0.3695 ( 2258 PWs) bands (ev): -1.7417 -1.7417 -1.7413 -1.7413 5.9606 5.9606 5.9751 5.9751 7.3390 7.3390 7.3887 7.3887 8.0838 8.0838 8.0923 8.0923 9.0189 9.0189 9.0835 9.0835 9.1457 9.1457 9.1917 9.1917 10.2345 10.2345 10.2477 10.2477 10.5393 10.5393 10.6215 10.6215 11.4816 11.4816 11.6624 11.6624 15.1923 15.1923 15.3191 15.3191 k = 0.1132 0.1961 0.3695 ( 2258 PWs) bands (ev): -1.7769 -1.7769 -1.7766 -1.7766 6.0508 6.0508 6.0647 6.0647 7.3674 7.3674 7.4121 7.4121 8.0781 8.0781 8.0843 8.0843 9.0235 9.0235 9.0867 9.0867 9.1419 9.1419 9.1873 9.1873 10.2180 10.2180 10.2320 10.2320 10.6212 10.6212 10.7075 10.7075 11.4830 11.4830 11.6627 11.6627 15.1914 15.1914 15.3153 15.3153 k = 0.1069 0.1852 0.3695 ( 2258 PWs) bands (ev): -1.8106 -1.8106 -1.8104 -1.8104 6.1410 6.1410 6.1545 6.1545 7.3930 7.3930 7.4329 7.4329 8.0704 8.0704 8.0747 8.0747 9.0288 9.0288 9.0900 9.0900 9.1389 9.1389 9.1832 9.1832 10.1978 10.1978 10.2118 10.2118 10.7051 10.7051 10.7952 10.7952 11.4919 11.4919 11.6692 11.6692 15.1947 15.1947 15.3154 15.3154 k = 0.1006 0.1743 0.3695 ( 2262 PWs) bands (ev): -1.8429 -1.8429 -1.8427 -1.8427 6.2311 6.2311 6.2439 6.2439 7.4160 7.4160 7.4514 7.4514 8.0606 8.0606 8.0635 8.0635 9.0347 9.0347 9.0932 9.0932 9.1366 9.1366 9.1795 9.1795 10.1744 10.1744 10.1878 10.1878 10.7904 10.7904 10.8838 10.8838 11.5079 11.5079 11.6815 11.6815 15.2022 15.2022 15.3194 15.3194 k = 0.0943 0.1634 0.3695 ( 2266 PWs) bands (ev): -1.8735 -1.8735 -1.8734 -1.8734 6.3206 6.3206 6.3327 6.3327 7.4366 7.4366 7.4678 7.4678 8.0488 8.0488 8.0506 8.0506 9.0411 9.0411 9.0963 9.0963 9.1349 9.1349 9.1759 9.1759 10.1486 10.1486 10.1609 10.1609 10.8767 10.8767 10.9723 10.9723 11.5303 11.5303 11.6988 11.6988 15.2136 15.2136 15.3269 15.3269 k = 0.0881 0.1525 0.3695 ( 2266 PWs) bands (ev): -1.9025 -1.9025 -1.9024 -1.9024 6.4092 6.4092 6.4205 6.4205 7.4550 7.4550 7.4823 7.4823 8.0349 8.0349 8.0360 8.0360 9.0479 9.0479 9.0992 9.0992 9.1338 9.1338 9.1725 9.1725 10.1208 10.1208 10.1319 10.1319 10.9634 10.9634 11.0599 11.0599 11.5588 11.5588 11.7205 11.7205 15.2288 15.2288 15.3375 15.3375 k = 0.0818 0.1416 0.3695 ( 2266 PWs) bands (ev): -1.9298 -1.9298 -1.9296 -1.9296 6.4966 6.4966 6.5071 6.5071 7.4715 7.4715 7.4952 7.4952 8.0189 8.0189 8.0196 8.0196 9.0549 9.0549 9.1020 9.1020 9.1333 9.1333 9.1693 9.1693 10.0919 10.0919 10.1015 10.1015 11.0499 11.0499 11.1456 11.1456 11.5926 11.5926 11.7457 11.7457 15.2469 15.2469 15.3503 15.3503 k = 0.0755 0.1307 0.3695 ( 2266 PWs) bands (ev): -1.9552 -1.9552 -1.9551 -1.9551 6.5825 6.5825 6.5920 6.5920 7.4862 7.4862 7.5066 7.5066 8.0008 8.0008 8.0013 8.0013 9.0621 9.0621 9.1044 9.1044 9.1333 9.1333 9.1662 9.1662 10.0623 10.0623 10.0704 10.0704 11.1355 11.1355 11.2284 11.2284 11.6313 11.6313 11.7736 11.7736 15.2670 15.2670 15.3642 15.3642 k = 0.0692 0.1198 0.3695 ( 2274 PWs) bands (ev): -1.9788 -1.9788 -1.9787 -1.9787 6.6663 6.6663 6.6749 6.6749 7.4993 7.4993 7.5167 7.5167 7.9806 7.9806 7.9811 7.9811 9.0692 9.0692 9.1065 9.1065 9.1337 9.1337 9.1631 9.1631 10.0326 10.0326 10.0393 10.0393 11.2195 11.2195 11.3071 11.3071 11.6742 11.6742 11.8035 11.8035 15.2877 15.2877 15.3773 15.3773 k = 0.0629 0.1089 0.3695 ( 2278 PWs) bands (ev): -2.0005 -2.0005 -2.0005 -2.0005 6.7478 6.7478 6.7554 6.7554 7.5112 7.5112 7.5259 7.5259 7.9584 7.9584 7.9590 7.9590 9.0763 9.0763 9.1084 9.1084 9.1343 9.1343 9.1601 9.1601 10.0035 10.0035 10.0089 10.0089 11.3010 11.3010 11.3807 11.3807 11.7209 11.7209 11.8349 11.8349 15.3068 15.3068 15.3873 15.3873 k = 0.0566 0.0980 0.3695 ( 2270 PWs) bands (ev): -2.0203 -2.0203 -2.0202 -2.0202 6.8266 6.8266 6.8332 6.8332 7.5222 7.5222 7.5343 7.5343 7.9342 7.9342 7.9349 7.9349 9.0833 9.0833 9.1102 9.1102 9.1352 9.1352 9.1571 9.1571 9.9756 9.9756 9.9797 9.9797 11.3789 11.3789 11.4483 11.4483 11.7705 11.7705 11.8671 11.8671 15.3218 15.3218 15.3912 15.3912 k = 0.0503 0.0871 0.3695 ( 2266 PWs) bands (ev): -2.0380 -2.0380 -2.0380 -2.0380 6.9021 6.9021 6.9076 6.9076 7.5324 7.5324 7.5423 7.5423 7.9080 7.9080 7.9088 7.9088 9.0901 9.0901 9.1118 9.1118 9.1360 9.1360 9.1541 9.1541 9.9493 9.9493 9.9523 9.9523 11.4521 11.4521 11.5091 11.5091 11.8219 11.8219 11.8998 11.8998 15.3299 15.3299 15.3863 15.3863 k = 0.0440 0.0763 0.3695 ( 2266 PWs) bands (ev): -2.0538 -2.0538 -2.0538 -2.0538 6.9735 6.9735 6.9780 6.9780 7.5423 7.5423 7.5501 7.5501 7.8798 7.8798 7.8807 7.8807 9.0964 9.0964 9.1133 9.1133 9.1367 9.1367 9.1510 9.1510 9.9249 9.9249 9.9270 9.9270 11.5190 11.5190 11.5628 11.5628 11.8736 11.8736 11.9325 11.9325 15.3289 15.3289 15.3714 15.3714 k = 0.0377 0.0654 0.3695 ( 2274 PWs) bands (ev): -2.0675 -2.0675 -2.0675 -2.0675 7.0403 7.0403 7.0436 7.0436 7.5522 7.5522 7.5582 7.5582 7.8498 7.8498 7.8507 7.8507 9.1023 9.1023 9.1148 9.1148 9.1371 9.1371 9.1479 9.1479 9.9029 9.9029 9.9043 9.9043 11.5785 11.5785 11.6093 11.6093 11.9237 11.9237 11.9648 11.9648 15.3179 15.3179 15.3472 15.3472 k = 0.0314 0.0545 0.3695 ( 2278 PWs) bands (ev): -2.0792 -2.0792 -2.0792 -2.0792 7.1013 7.1013 7.1036 7.1036 7.5628 7.5628 7.5671 7.5671 7.8182 7.8182 7.8191 7.8191 9.1077 9.1077 9.1163 9.1163 9.1373 9.1373 9.1448 9.1448 9.8837 9.8837 9.8845 9.8845 11.6294 11.6294 11.6488 11.6488 11.9703 11.9703 11.9961 11.9961 15.2986 15.2986 15.3167 15.3167 k = 0.0252 0.0436 0.3695 ( 2282 PWs) bands (ev): -2.0888 -2.0888 -2.0888 -2.0888 7.1552 7.1552 7.1567 7.1567 7.5749 7.5749 7.5776 7.5776 7.7854 7.7854 7.7863 7.7863 9.1126 9.1126 9.1179 9.1179 9.1371 9.1371 9.1419 9.1419 9.8676 9.8676 9.8680 9.8680 11.6708 11.6708 11.6814 11.6814 12.0112 12.0112 12.0253 12.0253 15.2743 15.2743 15.2839 15.2839 k = 0.0189 0.0327 0.3695 ( 2282 PWs) bands (ev): -2.0962 -2.0962 -2.0962 -2.0962 7.2003 7.2003 7.2010 7.2010 7.5892 7.5892 7.5908 7.5908 7.7521 7.7521 7.7527 7.7527 9.1168 9.1168 9.1196 9.1196 9.1367 9.1367 9.1392 9.1392 9.8548 9.8548 9.8549 9.8549 11.7024 11.7024 11.7071 11.7071 12.0448 12.0448 12.0510 12.0510 15.2492 15.2492 15.2534 15.2534 k = 0.0126 0.0218 0.3695 ( 2288 PWs) bands (ev): -2.1016 -2.1016 -2.1016 -2.1016 7.2346 7.2346 7.2349 7.2349 7.6068 7.6068 7.6075 7.6075 7.7190 7.7190 7.7193 7.7193 9.1201 9.1201 9.1211 9.1211 9.1359 9.1359 9.1368 9.1368 9.8454 9.8454 9.8455 9.8455 11.7243 11.7243 11.7258 11.7258 12.0696 12.0696 12.0715 12.0715 15.2276 15.2276 15.2289 15.2289 k = 0.0063 0.0109 0.3695 ( 2288 PWs) bands (ev): -2.1048 -2.1048 -2.1048 -2.1048 7.2562 7.2562 7.2562 7.2562 7.6279 7.6279 7.6280 7.6280 7.6877 7.6877 7.6878 7.6878 9.1224 9.1224 9.1225 9.1225 9.1350 9.1350 9.1352 9.1352 9.8398 9.8398 9.8398 9.8398 11.7371 11.7371 11.7373 11.7373 12.0847 12.0847 12.0849 12.0849 15.2130 15.2130 15.2131 15.2131 k = 0.0000 0.0000 0.3695 ( 2288 PWs) bands (ev): -2.1058 -2.1058 -2.1058 -2.1058 7.2635 7.2635 7.2635 7.2635 7.6455 7.6455 7.6455 7.6455 7.6665 7.6665 7.6665 7.6665 9.1231 9.1231 9.1231 9.1231 9.1346 9.1346 9.1346 9.1346 9.8379 9.8379 9.8379 9.8379 11.7412 11.7412 11.7412 11.7412 12.0896 12.0896 12.0896 12.0896 15.2078 15.2078 15.2078 15.2078 k = 0.5000 0.2887 0.3695 ( 2220 PWs) bands (ev): -0.8845 -0.8845 -0.8845 -0.8845 4.0548 4.0548 4.0548 4.0548 7.2296 7.2296 7.2296 7.2296 7.8464 7.8464 7.8464 7.8464 9.1252 9.1252 9.1252 9.1252 9.3347 9.3347 9.3347 9.3347 9.4415 9.4415 9.4415 9.4415 10.6436 10.6436 10.6436 10.6436 11.5624 11.5624 11.5624 11.5624 14.5516 14.5516 14.5516 14.5516 k = 0.5000 0.2887 0.3572 ( 2224 PWs) bands (ev): -0.9044 -0.9044 -0.8651 -0.8651 4.0166 4.0166 4.0973 4.0973 7.2260 7.2260 7.2326 7.2326 7.8117 7.8117 7.8792 7.8792 9.0911 9.0911 9.1562 9.1562 9.3298 9.3298 9.3406 9.3406 9.4308 9.4308 9.4529 9.4529 10.5770 10.5770 10.7132 10.7132 11.4890 11.4890 11.6357 11.6357 14.4603 14.4603 14.6274 14.6274 k = 0.5000 0.2887 0.3449 ( 2224 PWs) bands (ev): -0.9248 -0.9248 -0.8464 -0.8464 3.9828 3.9828 4.1443 4.1443 7.2215 7.2215 7.2348 7.2348 7.7758 7.7758 7.9101 7.9101 9.0548 9.0548 9.1830 9.1830 9.3264 9.3264 9.3470 9.3470 9.4212 9.4212 9.4650 9.4650 10.5133 10.5133 10.7857 10.7857 11.4157 11.4157 11.7084 11.7084 14.3568 14.3568 14.6851 14.6851 k = 0.5000 0.2887 0.3326 ( 2232 PWs) bands (ev): -0.9455 -0.9455 -0.8284 -0.8284 3.9535 3.9535 4.1954 4.1954 7.2161 7.2161 7.2365 7.2365 7.7388 7.7388 7.9387 7.9387 9.0165 9.0165 9.2040 9.2040 9.3254 9.3254 9.3538 9.3538 9.4132 9.4132 9.4773 9.4773 10.4527 10.4527 10.8609 10.8609 11.3432 11.3432 11.7799 11.7799 14.2448 14.2448 14.7237 14.7237 k = 0.5000 0.2887 0.3203 ( 2232 PWs) bands (ev): -0.9665 -0.9665 -0.8111 -0.8111 3.9286 3.9286 4.2508 4.2508 7.2097 7.2097 7.2376 7.2376 7.7010 7.7010 7.9646 7.9646 8.9767 8.9767 9.2178 9.2178 9.3270 9.3270 9.3614 9.3614 9.4079 9.4079 9.4901 9.4901 10.3952 10.3952 10.9385 10.9385 11.2718 11.2718 11.8495 11.8495 14.1282 14.1282 14.7435 14.7435 k = 0.5000 0.2887 0.3079 ( 2232 PWs) bands (ev): -0.9877 -0.9877 -0.7948 -0.7948 3.9082 3.9082 4.3102 4.3102 7.2020 7.2020 7.2382 7.2382 7.6630 7.6630 7.9875 7.9875 8.9355 8.9355 9.2239 9.2239 9.3295 9.3295 9.3695 9.3695 9.4072 9.4072 9.5031 9.5031 10.3408 10.3408 11.0173 11.0173 11.2029 11.2029 11.9165 11.9165 14.0107 14.0107 14.7464 14.7464 k = 0.5000 0.2887 0.2956 ( 2244 PWs) bands (ev): -1.0089 -1.0089 -0.7793 -0.7793 3.8921 3.8921 4.3736 4.3736 7.1930 7.1930 7.2384 7.2384 7.6249 7.6249 8.0071 8.0071 8.8930 8.8930 9.2238 9.2238 9.3299 9.3299 9.3765 9.3765 9.4135 9.4135 9.5162 9.5162 10.2894 10.2894 11.0845 11.0845 11.1495 11.1495 11.9795 11.9795 13.8960 13.8960 14.7351 14.7351 k = 0.5000 0.2887 0.2833 ( 2238 PWs) bands (ev): -1.0302 -1.0302 -0.7647 -0.7647 3.8804 3.8804 4.4409 4.4409 7.1823 7.1823 7.2383 7.2383 7.5874 7.5874 8.0231 8.0231 8.8495 8.8495 9.2200 9.2200 9.3278 9.3278 9.3813 9.3813 9.4273 9.4273 9.5296 9.5296 10.2413 10.2413 11.0526 11.0526 11.1995 11.1995 12.0371 12.0371 13.7878 13.7878 14.7125 14.7125 k = 0.5000 0.2887 0.2710 ( 2240 PWs) bands (ev): -1.0512 -1.0512 -0.7511 -0.7511 3.8729 3.8729 4.5119 4.5119 7.1697 7.1697 7.2378 7.2378 7.5507 7.5507 8.0351 8.0351 8.8050 8.8050 9.2137 9.2137 9.3233 9.3233 9.3847 9.3847 9.4448 9.4448 9.5431 9.5431 10.1963 10.1963 10.9895 10.9895 11.2848 11.2848 12.0872 12.0872 13.6900 13.6900 14.6814 14.6814 k = 0.5000 0.2887 0.2587 ( 2240 PWs) bands (ev): -1.0721 -1.0721 -0.7385 -0.7385 3.8695 3.8695 4.5865 4.5865 7.1550 7.1550 7.2369 7.2369 7.5155 7.5155 8.0427 8.0427 8.7597 8.7597 9.2060 9.2060 9.3173 9.3173 9.3875 9.3875 9.4635 9.4635 9.5567 9.5567 10.1543 10.1543 10.9261 10.9261 11.3745 11.3745 12.1276 12.1276 13.6066 13.6066 14.6445 14.6445 k = 0.5000 0.2887 0.2464 ( 2242 PWs) bands (ev): -1.0926 -1.0926 -0.7269 -0.7269 3.8701 3.8701 4.6645 4.6645 7.1377 7.1377 7.2358 7.2358 7.4822 7.4822 8.0457 8.0457 8.7137 8.7137 9.1975 9.1975 9.3107 9.3107 9.3898 9.3898 9.4818 9.4818 9.5705 9.5705 10.1155 10.1155 10.8643 10.8643 11.4667 11.4667 12.1557 12.1557 13.5416 13.5416 14.6037 14.6037 k = 0.5000 0.2887 0.2340 ( 2240 PWs) bands (ev): -1.1127 -1.1127 -0.7163 -0.7163 3.8745 3.8745 4.7459 4.7459 7.1176 7.1176 7.2344 7.2344 7.4513 7.4513 8.0436 8.0436 8.6675 8.6675 9.1885 9.1885 9.3037 9.3037 9.3916 9.3916 9.4989 9.4989 9.5845 9.5845 10.0797 10.0797 10.8048 10.8048 11.5604 11.5604 12.1695 12.1695 13.4985 13.4985 14.5608 14.5608 k = 0.5000 0.2887 0.2217 ( 2248 PWs) bands (ev): -1.1324 -1.1324 -0.7066 -0.7066 3.8824 3.8824 4.8304 4.8304 7.0945 7.0945 7.2326 7.2326 7.4230 7.4230 8.0361 8.0361 8.6208 8.6208 9.1794 9.1794 9.2967 9.2967 9.3928 9.3928 9.5141 9.5141 9.5986 9.5986 10.0469 10.0469 10.7478 10.7478 11.6548 11.6548 12.1685 12.1685 13.4795 13.4795 14.5170 14.5170 k = 0.5000 0.2887 0.2094 ( 2250 PWs) bands (ev): -1.1514 -1.1514 -0.6980 -0.6980 3.8937 3.8937 4.9178 4.9178 7.0684 7.0684 7.2308 7.2308 7.3978 7.3978 8.0229 8.0229 8.5743 8.5743 9.1702 9.1702 9.2898 9.2898 9.3934 9.3934 9.5273 9.5273 9.6127 9.6127 10.0170 10.0170 10.6936 10.6936 11.7481 11.7481 12.1550 12.1550 13.4848 13.4848 14.4733 14.4733 k = 0.5000 0.2887 0.1971 ( 2258 PWs) bands (ev): -1.1698 -1.1698 -0.6902 -0.6902 3.9080 3.9080 5.0080 5.0080 7.0394 7.0394 7.2287 7.2287 7.3755 7.3755 8.0037 8.0037 8.5281 8.5281 9.1611 9.1611 9.2831 9.2831 9.3933 9.3933 9.5385 9.5385 9.6267 9.6267 9.9900 9.9900 10.6423 10.6423 11.8359 11.8359 12.1356 12.1356 13.5126 13.5126 14.4305 14.4305 k = 0.5000 0.2887 0.1848 ( 2258 PWs) bands (ev): -1.1874 -1.1874 -0.6833 -0.6833 3.9251 3.9251 5.1008 5.1008 7.0081 7.0081 7.2266 7.2266 7.3562 7.3562 7.9782 7.9782 8.4825 8.4825 9.1522 9.1522 9.2766 9.2766 9.3928 9.3928 9.5478 9.5478 9.6403 9.6403 9.9657 9.9657 10.5940 10.5940 11.9048 11.9048 12.1270 12.1270 13.5601 13.5601 14.3892 14.3892 k = 0.5000 0.2887 0.1725 ( 2262 PWs) bands (ev): -1.2042 -1.2042 -0.6772 -0.6772 3.9445 3.9445 5.1958 5.1958 6.9748 6.9748 7.2243 7.2243 7.3394 7.3394 7.9464 7.9464 8.4378 8.4378 9.1435 9.1435 9.2704 9.2704 9.3917 9.3917 9.5553 9.5553 9.6532 9.6532 9.9441 9.9441 10.5489 10.5489 11.9283 11.9283 12.1590 12.1590 13.6238 13.6238 14.3499 14.3499 k = 0.5000 0.2887 0.1601 ( 2274 PWs) bands (ev): -1.2202 -1.2202 -0.6719 -0.6719 3.9660 3.9660 5.2928 5.2928 6.9402 6.9402 7.2217 7.2217 7.3249 7.3249 7.9080 7.9080 8.3942 8.3942 9.1351 9.1351 9.2645 9.2645 9.3901 9.3901 9.5611 9.5611 9.6656 9.6656 9.9249 9.9249 10.5068 10.5068 11.9075 11.9075 12.2334 12.2334 13.7009 13.7009 14.3127 14.3127 k = 0.5000 0.2887 0.1478 ( 2266 PWs) bands (ev): -1.2352 -1.2352 -0.6673 -0.6673 3.9890 3.9890 5.3916 5.3916 6.9051 6.9051 7.2190 7.2190 7.3124 7.3124 7.8632 7.8632 8.3525 8.3525 9.1273 9.1273 9.2591 9.2591 9.3882 9.3882 9.5655 9.5655 9.6772 9.6772 9.9084 9.9084 10.4682 10.4682 11.8689 11.8689 12.3259 12.3259 13.7888 13.7888 14.2781 14.2781 k = 0.5000 0.2887 0.1355 ( 2262 PWs) bands (ev): -1.2492 -1.2492 -0.6634 -0.6634 4.0132 4.0132 5.4917 5.4917 6.8701 6.8701 7.2161 7.2161 7.3017 7.3017 7.8121 7.8121 8.3128 8.3128 9.1200 9.1200 9.2539 9.2539 9.3859 9.3859 9.5686 9.5686 9.6879 9.6879 9.8939 9.8939 10.4327 10.4327 11.8257 11.8257 12.4248 12.4248 13.8855 13.8855 14.2463 14.2463 k = 0.5000 0.2887 0.1232 ( 2264 PWs) bands (ev): -1.2622 -1.2622 -0.6600 -0.6600 4.0380 4.0380 5.5926 5.5926 6.8361 6.8361 7.2127 7.2127 7.2924 7.2924 7.7550 7.7550 8.2752 8.2752 9.1131 9.1131 9.2492 9.2492 9.3834 9.3834 9.5708 9.5708 9.6975 9.6975 9.8814 9.8814 10.4004 10.4004 11.7829 11.7829 12.5255 12.5255 13.9892 13.9892 14.2178 14.2178 k = 0.5000 0.2887 0.1109 ( 2264 PWs) bands (ev): -1.2740 -1.2740 -0.6572 -0.6572 4.0628 4.0628 5.6938 5.6938 6.8039 6.8039 7.2087 7.2087 7.2844 7.2844 7.6925 7.6925 8.2402 8.2402 9.1067 9.1067 9.2449 9.2449 9.3808 9.3808 9.5720 9.5720 9.7063 9.7063 9.8708 9.8708 10.3714 10.3714 11.7427 11.7427 12.6258 12.6258 14.0961 14.0961 14.1952 14.1952 k = 0.5000 0.2887 0.0985 ( 2264 PWs) bands (ev): -1.2848 -1.2848 -0.6549 -0.6549 4.0873 4.0873 5.7945 5.7945 6.7744 6.7744 7.2037 7.2037 7.2775 7.2775 7.6254 7.6254 8.2083 8.2083 9.1009 9.1009 9.2408 9.2408 9.3782 9.3782 9.5726 9.5726 9.7141 9.7141 9.8619 9.8619 10.3455 10.3455 11.7063 11.7063 12.7241 12.7241 14.1540 14.1540 14.2301 14.2301 k = 0.5000 0.2887 0.0862 ( 2268 PWs) bands (ev): -1.2943 -1.2943 -0.6530 -0.6530 4.1106 4.1106 5.8935 5.8935 6.7490 6.7490 7.1969 7.1969 7.2716 7.2716 7.5553 7.5553 8.1793 8.1793 9.0957 9.0957 9.2373 9.2373 9.3757 9.3757 9.5726 9.5726 9.7209 9.7209 9.8543 9.8543 10.3229 10.3229 11.6741 11.6741 12.8188 12.8188 14.1396 14.1396 14.3447 14.3447 k = 0.5000 0.2887 0.0739 ( 2262 PWs) bands (ev): -1.3027 -1.3027 -0.6514 -0.6514 4.1324 4.1324 5.9893 5.9893 6.7291 6.7291 7.1870 7.1870 7.2668 7.2668 7.4842 7.4842 8.1538 8.1538 9.0912 9.0912 9.2343 9.2343 9.3733 9.3733 9.5725 9.5725 9.7267 9.7267 9.8483 9.8483 10.3034 10.3034 11.6464 11.6464 12.9082 12.9082 14.1227 14.1227 14.4687 14.4687 k = 0.5000 0.2887 0.0616 ( 2266 PWs) bands (ev): -1.3098 -1.3098 -0.6502 -0.6502 4.1520 4.1520 6.0796 6.0796 6.7168 6.7168 7.1708 7.1708 7.2628 7.2628 7.4163 7.4163 8.1318 8.1318 9.0874 9.0874 9.2317 9.2317 9.3713 9.3713 9.5719 9.5719 9.7316 9.7316 9.8433 9.8433 10.2869 10.2869 11.6232 11.6232 12.9901 12.9901 14.1079 14.1079 14.5964 14.5964 k = 0.5000 0.2887 0.0493 ( 2268 PWs) bands (ev): -1.3157 -1.3157 -0.6492 -0.6492 4.1689 4.1689 6.1610 6.1610 6.7149 6.7149 7.1432 7.1432 7.2596 7.2596 7.3580 7.3580 8.1136 8.1136 9.0842 9.0842 9.2295 9.2295 9.3694 9.3694 9.5714 9.5714 9.7356 9.7356 9.8396 9.8396 10.2736 10.2736 11.6043 11.6043 13.0623 13.0623 14.0957 14.0957 14.7260 14.7260 k = 0.5000 0.2887 0.0370 ( 2270 PWs) bands (ev): -1.3202 -1.3202 -0.6486 -0.6486 4.1826 4.1826 6.2291 6.2291 6.7266 6.7266 7.0994 7.0994 7.2572 7.2572 7.3162 7.3162 8.0993 8.0993 9.0818 9.0818 9.2278 9.2278 9.3679 9.3679 9.5709 9.5709 9.7386 9.7386 9.8369 9.8369 10.2632 10.2632 11.5899 11.5899 13.1223 13.1223 14.0862 14.0862 14.8549 14.8549 k = 0.5000 0.2887 0.0246 ( 2274 PWs) bands (ev): -1.3235 -1.3235 -0.6481 -0.6481 4.1927 4.1927 6.2795 6.2795 6.7534 6.7534 7.0418 7.0418 7.2557 7.2557 7.2918 7.2918 8.0889 8.0889 9.0799 9.0799 9.2266 9.2266 9.3668 9.3668 9.5705 9.5705 9.7408 9.7408 9.8349 9.8349 10.2558 10.2558 11.5797 11.5797 13.1676 13.1676 14.0794 14.0794 14.9775 14.9775 k = 0.5000 0.2887 0.0123 ( 2278 PWs) bands (ev): -1.3255 -1.3255 -0.6478 -0.6478 4.1989 4.1989 6.3096 6.3096 6.7908 6.7908 6.9830 6.9830 7.2548 7.2548 7.2799 7.2799 8.0826 8.0826 9.0788 9.0788 9.2259 9.2259 9.3661 9.3661 9.5702 9.5702 9.7420 9.7420 9.8337 9.8337 10.2514 10.2514 11.5736 11.5736 13.1958 13.1958 14.0754 14.0754 15.0794 15.0794 k = 0.5000 0.2887-0.0000 ( 2278 PWs) bands (ev): -1.3261 -1.3261 -0.6477 -0.6477 4.2010 4.2010 6.3195 6.3195 6.8140 6.8140 6.9524 6.9524 7.2546 7.2546 7.2764 7.2764 8.0806 8.0806 9.0784 9.0784 9.2256 9.2256 9.3659 9.3659 9.5701 9.5701 9.7424 9.7424 9.8333 9.8333 10.2499 10.2499 11.5716 11.5716 13.2054 13.2054 14.0741 14.0741 15.1241 15.1241 k = 0.3333 0.5774-0.0000 ( 2250 PWs) bands (ev): -0.8085 -0.8085 -0.8081 -0.8081 3.8686 3.8686 5.8453 5.8453 6.1572 6.1572 7.0623 7.0623 7.1192 7.1192 7.7524 7.7524 8.6503 8.6503 9.1407 9.1407 9.3157 9.3157 9.4657 9.4657 9.7418 9.7418 9.8109 9.8109 10.0681 10.0681 10.1900 10.1900 10.8265 10.8265 10.8622 10.8622 13.1043 13.1043 17.0731 17.0731 k = 0.3333 0.5774 0.0123 ( 2244 PWs) bands (ev): -0.8082 -0.8082 -0.8078 -0.8078 3.8701 3.8701 5.8400 5.8400 6.1501 6.1501 7.0681 7.0681 7.1240 7.1240 7.7465 7.7465 8.6510 8.6510 9.1409 9.1409 9.3158 9.3158 9.4671 9.4671 9.7415 9.7415 9.8106 9.8106 10.0659 10.0659 10.1875 10.1875 10.8325 10.8325 10.8689 10.8689 13.1111 13.1111 17.0737 17.0737 k = 0.3333 0.5774 0.0246 ( 2244 PWs) bands (ev): -0.8075 -0.8075 -0.8070 -0.8070 3.8747 3.8747 5.8242 5.8242 6.1296 6.1296 7.0847 7.0847 7.1378 7.1378 7.7291 7.7291 8.6531 8.6531 9.1415 9.1415 9.3159 9.3159 9.4708 9.4708 9.7404 9.7404 9.8095 9.8095 10.0594 10.0594 10.1801 10.1801 10.8498 10.8498 10.8883 10.8883 13.1315 13.1315 17.0756 17.0756 k = 0.3333 0.5774 0.0370 ( 2238 PWs) bands (ev): -0.8062 -0.8062 -0.8057 -0.8057 3.8823 3.8823 5.7989 5.7989 6.0973 6.0973 7.1100 7.1100 7.1600 7.1600 7.7012 7.7012 8.6566 8.6566 9.1424 9.1424 9.3161 9.3161 9.4766 9.4766 9.7386 9.7386 9.8077 9.8077 10.0492 10.0492 10.1686 10.1686 10.8783 10.8783 10.9198 10.9198 13.1654 13.1654 17.0788 17.0788 k = 0.3333 0.5774 0.0493 ( 2238 PWs) bands (ev): -0.8044 -0.8044 -0.8039 -0.8039 3.8929 3.8929 5.7652 5.7652 6.0553 6.0553 7.1412 7.1412 7.1892 7.1892 7.6643 7.6643 8.6614 8.6614 9.1437 9.1437 9.3164 9.3164 9.4839 9.4839 9.7361 9.7361 9.8053 9.8053 10.0361 10.0361 10.1541 10.1541 10.9167 10.9167 10.9622 10.9622 13.2125 13.2125 17.0833 17.0833 k = 0.3333 0.5774 0.0616 ( 2238 PWs) bands (ev): -0.8022 -0.8022 -0.8015 -0.8015 3.9066 3.9066 5.7245 5.7245 6.0061 6.0061 7.1744 7.1744 7.2242 7.2242 7.6209 7.6209 8.6677 8.6677 9.1452 9.1452 9.3166 9.3166 9.4920 9.4920 9.7332 9.7332 9.8021 9.8021 10.0208 10.0208 10.1376 10.1376 10.9645 10.9645 11.0142 11.0142 13.2723 13.2723 17.0890 17.0890 k = 0.3333 0.5774 0.0739 ( 2256 PWs) bands (ev): -0.7995 -0.7995 -0.7987 -0.7987 3.9234 3.9234 5.6782 5.6782 5.9515 5.9515 7.2044 7.2044 7.2635 7.2635 7.5757 7.5757 8.6750 8.6750 9.1470 9.1470 9.3166 9.3166 9.5002 9.5002 9.7294 9.7294 9.7979 9.7979 10.0042 10.0042 10.1199 10.1199 11.0206 11.0206 11.0751 11.0751 13.3446 13.3446 17.0960 17.0960 k = 0.3333 0.5774 0.0862 ( 2256 PWs) bands (ev): -0.7964 -0.7964 -0.7955 -0.7955 3.9431 3.9431 5.6277 5.6277 5.8932 5.8932 7.2230 7.2230 7.3059 7.3059 7.5363 7.5363 8.6841 8.6841 9.1491 9.1491 9.3166 9.3166 9.5079 9.5079 9.7256 9.7256 9.7935 9.7935 9.9869 9.9869 10.1018 10.1018 11.0845 11.0845 11.1437 11.1437 13.4288 13.4288 17.1041 17.1041 k = 0.3333 0.5774 0.0985 ( 2262 PWs) bands (ev): -0.7929 -0.7929 -0.7918 -0.7918 3.9658 3.9658 5.5741 5.5741 5.8326 5.8326 7.2182 7.2182 7.3502 7.3502 7.5146 7.5146 8.6944 8.6944 9.1515 9.1515 9.3164 9.3164 9.5143 9.5143 9.7216 9.7216 9.7884 9.7884 9.9694 9.9694 10.0837 10.0837 11.1553 11.1553 11.2195 11.2195 13.5242 13.5242 17.1134 17.1134 k = 0.3333 0.5774 0.1109 ( 2262 PWs) bands (ev): -0.7891 -0.7891 -0.7877 -0.7877 3.9916 3.9916 5.5185 5.5185 5.7707 5.7707 7.1828 7.1828 7.3957 7.3957 7.5182 7.5182 8.7062 8.7062 9.1542 9.1542 9.3160 9.3160 9.5194 9.5194 9.7175 9.7175 9.7828 9.7828 9.9520 9.9520 10.0659 10.0659 11.2326 11.2326 11.3019 11.3019 13.6305 13.6305 17.1238 17.1238 k = 0.3333 0.5774 0.1232 ( 2250 PWs) bands (ev): -0.7849 -0.7849 -0.7833 -0.7833 4.0203 4.0203 5.4616 5.4616 5.7084 5.7084 7.1221 7.1221 7.4413 7.4413 7.5416 7.5416 8.7197 8.7197 9.1570 9.1570 9.3153 9.3153 9.5224 9.5224 9.7137 9.7137 9.7768 9.7768 9.9351 9.9351 10.0487 10.0487 11.3158 11.3158 11.3903 11.3903 13.7468 13.7468 17.1352 17.1352 k = 0.3333 0.5774 0.1355 ( 2268 PWs) bands (ev): -0.7804 -0.7804 -0.7787 -0.7787 4.0519 4.0519 5.4044 5.4044 5.6463 5.6463 7.0460 7.0460 7.4864 7.4864 7.5755 7.5755 8.7339 8.7339 9.1599 9.1599 9.3141 9.3141 9.5232 9.5232 9.7099 9.7099 9.7703 9.7703 9.9186 9.9186 10.0319 10.0319 11.4045 11.4045 11.4843 11.4843 13.8725 13.8725 17.1476 17.1476 k = 0.3333 0.5774 0.1478 ( 2268 PWs) bands (ev): -0.7757 -0.7757 -0.7737 -0.7737 4.0864 4.0864 5.3473 5.3473 5.5852 5.5852 6.9606 6.9606 7.5308 7.5308 7.6141 7.6141 8.7494 8.7494 9.1629 9.1629 9.3125 9.3125 9.5220 9.5220 9.7064 9.7064 9.7635 9.7635 9.9032 9.9032 10.0160 10.0160 11.4982 11.4982 11.5835 11.5835 14.0070 14.0070 17.1608 17.1608 k = 0.3333 0.5774 0.1601 ( 2265 PWs) bands (ev): -0.7708 -0.7708 -0.7686 -0.7686 4.1238 4.1238 5.2910 5.2910 5.5253 5.5253 6.8695 6.8695 7.5739 7.5739 7.6542 7.6542 8.7660 8.7660 9.1660 9.1660 9.3105 9.3105 9.5186 9.5186 9.7035 9.7035 9.7565 9.7565 9.8885 9.8885 10.0008 10.0008 11.5965 11.5965 11.6874 11.6874 14.1496 14.1496 17.1748 17.1748 k = 0.3333 0.5774 0.1725 ( 2262 PWs) bands (ev): -0.7658 -0.7658 -0.7633 -0.7633 4.1640 4.1640 5.2359 5.2359 5.4673 5.4673 6.7747 6.7747 7.6153 7.6153 7.6942 7.6942 8.7838 8.7838 9.1690 9.1690 9.3079 9.3079 9.5131 9.5131 9.7010 9.7010 9.7494 9.7494 9.8747 9.8747 9.9863 9.9863 11.6988 11.6988 11.7955 11.7955 14.2997 14.2997 17.1894 17.1894 k = 0.3333 0.5774 0.1848 ( 2259 PWs) bands (ev): -0.7607 -0.7607 -0.7579 -0.7579 4.2070 4.2070 5.1824 5.1824 5.4113 5.4113 6.6774 6.6774 7.6549 7.6549 7.7332 7.7332 8.8027 8.8027 9.1720 9.1720 9.3048 9.3048 9.5054 9.5054 9.6991 9.6991 9.7424 9.7424 9.8617 9.8617 9.9723 9.9723 11.8046 11.8046 11.9073 11.9073 14.4566 14.4566 17.2044 17.2044 k = 0.3333 0.5774 0.1971 ( 2259 PWs) bands (ev): -0.7556 -0.7556 -0.7526 -0.7526 4.2527 4.2527 5.1309 5.1309 5.3579 5.3579 6.5785 6.5785 7.6923 7.6923 7.7706 7.7706 8.8226 8.8226 9.1750 9.1750 9.3011 9.3011 9.4957 9.4957 9.6979 9.6979 9.7355 9.7355 9.8494 9.8494 9.9590 9.9590 11.9132 11.9132 12.0222 12.0222 14.6196 14.6196 17.2195 17.2195 k = 0.3333 0.5774 0.2094 ( 2250 PWs) bands (ev): -0.7505 -0.7505 -0.7472 -0.7472 4.3010 4.3010 5.0818 5.0818 5.3072 5.3072 6.4788 6.4788 7.7275 7.7275 7.8061 7.8061 8.8436 8.8436 9.1778 9.1778 9.2970 9.2970 9.4843 9.4843 9.6975 9.6975 9.7289 9.7289 9.8379 9.8379 9.9461 9.9461 12.0241 12.0241 12.1396 12.1396 14.7880 14.7880 17.2342 17.2342 k = 0.3333 0.5774 0.2217 ( 2250 PWs) bands (ev): -0.7455 -0.7455 -0.7419 -0.7419 4.3519 4.3519 5.0352 5.0352 5.2597 5.2597 6.3788 6.3788 7.7603 7.7603 7.8393 7.8393 8.8653 8.8653 9.1805 9.1805 9.2924 9.2924 9.4710 9.4710 9.6978 9.6978 9.7227 9.7227 9.8270 9.8270 9.9338 9.9338 12.1363 12.1363 12.2586 12.2586 14.9613 14.9613 17.2478 17.2478 k = 0.3333 0.5774 0.2340 ( 2247 PWs) bands (ev): -0.7407 -0.7407 -0.7368 -0.7368 4.4051 4.4051 4.9915 4.9915 5.2155 5.2155 6.2788 6.2788 7.7906 7.7906 7.8702 7.8702 8.8879 8.8879 9.1830 9.1830 9.2874 9.2874 9.4562 9.4562 9.6989 9.6989 9.7171 9.7171 9.8168 9.8168 9.9219 9.9219 12.2489 12.2489 12.3784 12.3784 15.1386 15.1386 17.2592 17.2592 k = 0.3333 0.5774 0.2464 ( 2259 PWs) bands (ev): -0.7360 -0.7360 -0.7319 -0.7319 4.4605 4.4605 4.9508 4.9508 5.1751 5.1751 6.1794 6.1794 7.8184 7.8184 7.8987 7.8987 8.9109 8.9109 9.1853 9.1853 9.2819 9.2819 9.4401 9.4401 9.7007 9.7007 9.7120 9.7120 9.8071 9.8071 9.9104 9.9104 12.3610 12.3610 12.4978 12.4978 15.3191 15.3191 17.2652 17.2652 k = 0.3333 0.5774 0.2587 ( 2259 PWs) bands (ev): -0.7316 -0.7316 -0.7273 -0.7273 4.5178 4.5178 4.9135 4.9135 5.1387 5.1387 6.0809 6.0809 7.8436 7.8436 7.9246 7.9246 8.9347 8.9347 9.1873 9.1873 9.2760 9.2760 9.4229 9.4229 9.7031 9.7031 9.7075 9.7075 9.7982 9.7982 9.8994 9.8994 12.4712 12.4712 12.6157 12.6157 15.5020 15.5020 17.2553 17.2553 k = 0.3333 0.5774 0.2710 ( 2253 PWs) bands (ev): -0.7275 -0.7275 -0.7230 -0.7230 4.5766 4.5766 4.8796 4.8796 5.1070 5.1070 5.9836 5.9836 7.8663 7.8663 7.9480 7.9480 8.9591 8.9591 9.1893 9.1893 9.2698 9.2698 9.4049 9.4049 9.7037 9.7037 9.7062 9.7062 9.7900 9.7900 9.8891 9.8891 12.5782 12.5782 12.7306 12.7306 15.6861 15.6861 17.1980 17.1980 k = 0.3333 0.5774 0.2833 ( 2247 PWs) bands (ev): -0.7238 -0.7238 -0.7190 -0.7190 4.6360 4.6360 4.8494 4.8494 5.0805 5.0805 5.8879 5.8879 7.8863 7.8863 7.9687 7.9687 8.9839 8.9839 9.1909 9.1909 9.2631 9.2631 9.3866 9.3866 9.7006 9.7006 9.7096 9.7096 9.7825 9.7825 9.8794 9.8794 12.6802 12.6802 12.8408 12.8408 15.8699 15.8699 17.0873 17.0896 k = 0.3333 0.5774 0.2956 ( 2244 PWs) bands (ev): -0.7204 -0.7204 -0.7155 -0.7155 4.6948 4.6948 4.8229 4.8229 5.0605 5.0605 5.7942 5.7942 7.9037 7.9037 7.9868 7.9868 9.0091 9.0091 9.1923 9.1923 9.2555 9.2555 9.3684 9.3684 9.6981 9.6981 9.7134 9.7134 9.7756 9.7756 9.8703 9.8703 12.7755 12.7755 12.9441 12.9441 16.0517 16.0517 16.9669 16.9712 k = 0.3333 0.5774 0.3079 ( 2247 PWs) bands (ev): -0.7175 -0.7175 -0.7124 -0.7124 4.7507 4.7507 4.8003 4.8003 5.0491 5.0491 5.7029 5.7029 7.9183 7.9183 8.0020 8.0020 9.0341 9.0341 9.1934 9.1934 9.2467 9.2467 9.3512 9.3512 9.6961 9.6961 9.7172 9.7172 9.7696 9.7696 9.8620 9.8620 12.8619 12.8619 13.0384 13.0384 16.2288 16.2288 16.8598 16.8598 k = 0.3333 0.5774 0.3203 ( 2247 PWs) bands (ev): -0.7151 -0.7151 -0.7099 -0.7099 4.7816 4.7816 4.7995 4.7995 5.0496 5.0496 5.6149 5.6149 7.9304 7.9304 8.0146 8.0146 9.0590 9.0590 9.1944 9.1944 9.2362 9.2362 9.3359 9.3359 9.6948 9.6948 9.7210 9.7210 9.7644 9.7644 9.8547 9.8547 12.9370 12.9370 13.1209 13.1209 16.3970 16.3970 16.7632 16.7633 k = 0.3333 0.5774 0.3326 ( 2247 PWs) bands (ev): -0.7132 -0.7132 -0.7079 -0.7079 4.7671 4.7671 4.8362 4.8362 5.0663 5.0663 5.5314 5.5314 7.9398 7.9398 8.0244 8.0244 9.0832 9.0832 9.1951 9.1951 9.2237 9.2237 9.3233 9.3233 9.6938 9.6938 9.7243 9.7243 9.7602 9.7602 9.8486 9.8486 12.9987 12.9987 13.1891 13.1891 16.5449 16.5449 16.6906 16.6907 k = 0.3333 0.5774 0.3449 ( 2250 PWs) bands (ev): -0.7118 -0.7118 -0.7064 -0.7064 4.7566 4.7566 4.8581 4.8581 5.0988 5.0988 5.4554 5.4554 7.9464 7.9464 8.0314 8.0314 9.1060 9.1060 9.1956 9.1956 9.2092 9.2092 9.3142 9.3142 9.6932 9.6932 9.7270 9.7270 9.7571 9.7571 9.8439 9.8439 13.0447 13.0447 13.2401 13.2401 16.5936 16.5936 16.6345 16.6345 k = 0.3333 0.5774 0.3572 ( 2244 PWs) bands (ev): -0.7110 -0.7110 -0.7055 -0.7055 4.7503 4.7503 4.8683 4.8683 5.1367 5.1367 5.3942 5.3942 7.9505 7.9505 8.0357 8.0357 9.1253 9.1253 9.1949 9.1949 9.1959 9.1959 9.3089 9.3089 9.6930 9.6930 9.7288 9.7288 9.7553 9.7553 9.8411 9.8411 13.0732 13.0732 13.2718 13.2718 16.5670 16.5670 16.5999 16.6000 k = 0.3333 0.5774 0.3695 ( 2238 PWs) bands (ev): -0.7107 -0.7107 -0.7052 -0.7052 4.7482 4.7482 4.8711 4.8711 5.1560 5.1560 5.3677 5.3677 7.9519 7.9519 8.0371 8.0371 9.1343 9.1343 9.1876 9.1876 9.1961 9.1961 9.3071 9.3071 9.6929 9.6929 9.7295 9.7295 9.7547 9.7547 9.8401 9.8401 13.0828 13.0828 13.2826 13.2826 16.5558 16.5558 16.5883 16.5883 Writing output data file NiTe.save init_run : 0.40s CPU 0.50s WALL ( 1 calls) electrons : 81.12s CPU 83.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 81.11s CPU 83.02s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 351 calls) cegterg : 74.18s CPU 75.63s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 36.43s CPU 37.38s WALL ( 6522 calls) s_psi : 3.20s CPU 3.35s WALL ( 6522 calls) g_psi : 0.11s CPU 0.10s WALL ( 5795 calls) cdiaghg : 33.01s CPU 33.60s WALL ( 6146 calls) cegterg:over : 2.54s CPU 2.57s WALL ( 5795 calls) cegterg:upda : 1.63s CPU 1.69s WALL ( 5795 calls) cegterg:last : 1.01s CPU 1.03s WALL ( 1087 calls) cdiaghg:chol : 1.74s CPU 1.79s WALL ( 6146 calls) cdiaghg:inve : 1.06s CPU 1.09s WALL ( 6146 calls) cdiaghg:para : 1.72s CPU 1.87s WALL ( 12292 calls) Called by h_psi: h_psi:vloc : 29.52s CPU 30.36s WALL ( 6522 calls) h_psi:vnl : 6.85s CPU 6.94s WALL ( 6522 calls) add_vuspsi : 3.86s CPU 3.86s WALL ( 6522 calls) General routines calbec : 2.96s CPU 3.07s WALL ( 6522 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.46s CPU 28.24s WALL ( 605748 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.12s WALL ( 702 calls) Parallel routines fft_scatter : 13.43s CPU 14.06s WALL ( 605771 calls) PWSCF : 1m31.98s CPU 1m46.01s WALL This run was terminated on: 20:57:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=