Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:21 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: ./Ni.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 11 7 2 289 171 30 Max 12 8 3 297 182 37 Sum 397 283 91 10575 6375 1189 bravais-lattice index = 14 lattice parameter (alat) = 4.9549 a.u. unit-cell volume = 173.6108 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 20.00 number of Kohn-Sham states= 28 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)= 4.954862 celldm(2)= 1.000000 celldm(3)= 1.647979 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 1.647979 ) 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 0.606804 ) PseudoPot. # 1 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 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 ) ( -0.8239893 ) 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 ) ( 0.8239893 ) 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 ) ( -0.8239893 ) 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 ) ( -0.8239893 ) 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 ) ( 0.8239893 ) 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 ) ( 0.8239893 ) 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 ) ( 0.8239893 ) 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 ) ( -0.8239893 ) 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 ) ( 0.8239893 ) 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 ) ( 0.8239893 ) 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 ) ( -0.8239893 ) 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 ) ( -0.8239893 ) 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= 500 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 2) = ( 0.0071429 0.0041239 -0.0000000), wk = 0.0020000 k( 3) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0020000 k( 4) = ( 0.0214286 0.0123718 -0.0000000), wk = 0.0020000 k( 5) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0020000 k( 6) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0020000 k( 7) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0020000 k( 8) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0020000 k( 9) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0020000 k( 10) = ( 0.0642857 0.0371154 -0.0000000), wk = 0.0020000 k( 11) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0020000 k( 12) = ( 0.0785714 0.0453632 -0.0000000), wk = 0.0020000 k( 13) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0020000 k( 14) = ( 0.0928571 0.0536111 -0.0000000), wk = 0.0020000 k( 15) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0020000 k( 16) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0020000 k( 17) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0020000 k( 18) = ( 0.1214286 0.0701068 -0.0000000), wk = 0.0020000 k( 19) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0020000 k( 20) = ( 0.1357143 0.0783547 -0.0000000), wk = 0.0020000 k( 21) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0020000 k( 22) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0020000 k( 23) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0020000 k( 24) = ( 0.1642857 0.0948504 -0.0000000), wk = 0.0020000 k( 25) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0020000 k( 26) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0020000 k( 27) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0020000 k( 28) = ( 0.1928571 0.1113461 -0.0000000), wk = 0.0020000 k( 29) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0020000 k( 30) = ( 0.2071429 0.1195940 -0.0000000), wk = 0.0020000 k( 31) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0020000 k( 32) = ( 0.2214286 0.1278418 -0.0000000), wk = 0.0020000 k( 33) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0020000 k( 34) = ( 0.2357143 0.1360897 -0.0000000), wk = 0.0020000 k( 35) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0020000 k( 36) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0020000 k( 37) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0020000 k( 38) = ( 0.2642857 0.1525854 -0.0000000), wk = 0.0020000 k( 39) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0020000 k( 40) = ( 0.2785714 0.1608333 -0.0000000), wk = 0.0020000 k( 41) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0020000 k( 42) = ( 0.2928571 0.1690811 -0.0000000), wk = 0.0020000 k( 43) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0020000 k( 44) = ( 0.3071429 0.1773290 -0.0000000), wk = 0.0020000 k( 45) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0020000 k( 46) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0020000 k( 47) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0020000 k( 48) = ( 0.3357143 0.1938247 -0.0000000), wk = 0.0020000 k( 49) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0020000 k( 50) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0020000 k( 51) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0020000 k( 52) = ( 0.3642857 0.2103205 -0.0000000), wk = 0.0020000 k( 53) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0020000 k( 54) = ( 0.3785714 0.2185683 -0.0000000), wk = 0.0020000 k( 55) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0020000 k( 56) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0020000 k( 57) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0020000 k( 58) = ( 0.4071429 0.2350640 -0.0000000), wk = 0.0020000 k( 59) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0020000 k( 60) = ( 0.4214286 0.2433119 -0.0000000), wk = 0.0020000 k( 61) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0020000 k( 62) = ( 0.4357143 0.2515598 -0.0000000), wk = 0.0020000 k( 63) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0020000 k( 64) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0020000 k( 65) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0020000 k( 66) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0020000 k( 67) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0020000 k( 68) = ( 0.4785714 0.2763033 -0.0000000), wk = 0.0020000 k( 69) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0020000 k( 70) = ( 0.4928571 0.2845512 -0.0000000), wk = 0.0020000 k( 71) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020000 k( 72) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020000 k( 73) = ( 0.4958333 0.2958920 -0.0000000), wk = 0.0020000 k( 74) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0020000 k( 75) = ( 0.4875000 0.3103258 -0.0000000), wk = 0.0020000 k( 76) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0020000 k( 77) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0020000 k( 78) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0020000 k( 79) = ( 0.4708333 0.3391933 -0.0000000), wk = 0.0020000 k( 80) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0020000 k( 81) = ( 0.4625000 0.3536270 -0.0000000), wk = 0.0020000 k( 82) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0020000 k( 83) = ( 0.4541667 0.3680608 -0.0000000), wk = 0.0020000 k( 84) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0020000 k( 85) = ( 0.4458333 0.3824945 -0.0000000), wk = 0.0020000 k( 86) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0020000 k( 87) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0020000 k( 88) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0020000 k( 89) = ( 0.4291667 0.4113621 -0.0000000), wk = 0.0020000 k( 90) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0020000 k( 91) = ( 0.4208333 0.4257958 -0.0000000), wk = 0.0020000 k( 92) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0020000 k( 93) = ( 0.4125000 0.4402296 -0.0000000), wk = 0.0020000 k( 94) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0020000 k( 95) = ( 0.4041667 0.4546633 -0.0000000), wk = 0.0020000 k( 96) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0020000 k( 97) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0020000 k( 98) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0020000 k( 99) = ( 0.3875000 0.4835309 -0.0000000), wk = 0.0020000 k( 100) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0020000 k( 101) = ( 0.3791667 0.4979646 -0.0000000), wk = 0.0020000 k( 102) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0020000 k( 103) = ( 0.3708333 0.5123984 -0.0000000), wk = 0.0020000 k( 104) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0020000 k( 105) = ( 0.3625000 0.5268321 -0.0000000), wk = 0.0020000 k( 106) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0020000 k( 107) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0020000 k( 108) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0020000 k( 109) = ( 0.3458333 0.5556996 -0.0000000), wk = 0.0020000 k( 110) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0020000 k( 111) = ( 0.3375000 0.5701334 -0.0000000), wk = 0.0020000 k( 112) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020000 k( 113) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020000 k( 114) = ( 0.3291667 0.5701334 -0.0000000), wk = 0.0020000 k( 115) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0020000 k( 116) = ( 0.3208333 0.5556996 -0.0000000), wk = 0.0020000 k( 117) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0020000 k( 118) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0020000 k( 119) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0020000 k( 120) = ( 0.3041667 0.5268321 -0.0000000), wk = 0.0020000 k( 121) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0020000 k( 122) = ( 0.2958333 0.5123984 -0.0000000), wk = 0.0020000 k( 123) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0020000 k( 124) = ( 0.2875000 0.4979646 -0.0000000), wk = 0.0020000 k( 125) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0020000 k( 126) = ( 0.2791667 0.4835309 -0.0000000), wk = 0.0020000 k( 127) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0020000 k( 128) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0020000 k( 129) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0020000 k( 130) = ( 0.2625000 0.4546633 -0.0000000), wk = 0.0020000 k( 131) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0020000 k( 132) = ( 0.2541667 0.4402296 -0.0000000), wk = 0.0020000 k( 133) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0020000 k( 134) = ( 0.2458333 0.4257958 -0.0000000), wk = 0.0020000 k( 135) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0020000 k( 136) = ( 0.2375000 0.4113621 -0.0000000), wk = 0.0020000 k( 137) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0020000 k( 138) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0020000 k( 139) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0020000 k( 140) = ( 0.2208333 0.3824945 -0.0000000), wk = 0.0020000 k( 141) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0020000 k( 142) = ( 0.2125000 0.3680608 -0.0000000), wk = 0.0020000 k( 143) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0020000 k( 144) = ( 0.2041667 0.3536270 -0.0000000), wk = 0.0020000 k( 145) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0020000 k( 146) = ( 0.1958333 0.3391933 -0.0000000), wk = 0.0020000 k( 147) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0020000 k( 148) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0020000 k( 149) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0020000 k( 150) = ( 0.1791667 0.3103258 -0.0000000), wk = 0.0020000 k( 151) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0020000 k( 152) = ( 0.1708333 0.2958920 -0.0000000), wk = 0.0020000 k( 153) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0020000 k( 154) = ( 0.1625000 0.2814583 -0.0000000), wk = 0.0020000 k( 155) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0020000 k( 156) = ( 0.1541667 0.2670245 -0.0000000), wk = 0.0020000 k( 157) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0020000 k( 158) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0020000 k( 159) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0020000 k( 160) = ( 0.1375000 0.2381570 -0.0000000), wk = 0.0020000 k( 161) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0020000 k( 162) = ( 0.1291667 0.2237232 -0.0000000), wk = 0.0020000 k( 163) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0020000 k( 164) = ( 0.1208333 0.2092895 -0.0000000), wk = 0.0020000 k( 165) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0020000 k( 166) = ( 0.1125000 0.1948557 -0.0000000), wk = 0.0020000 k( 167) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0020000 k( 168) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0020000 k( 169) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0020000 k( 170) = ( 0.0958333 0.1659882 -0.0000000), wk = 0.0020000 k( 171) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0020000 k( 172) = ( 0.0875000 0.1515544 -0.0000000), wk = 0.0020000 k( 173) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0020000 k( 174) = ( 0.0791667 0.1371207 -0.0000000), wk = 0.0020000 k( 175) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0020000 k( 176) = ( 0.0708333 0.1226869 -0.0000000), wk = 0.0020000 k( 177) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0020000 k( 178) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0020000 k( 179) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0020000 k( 180) = ( 0.0541667 0.0938194 -0.0000000), wk = 0.0020000 k( 181) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0020000 k( 182) = ( 0.0458333 0.0793857 -0.0000000), wk = 0.0020000 k( 183) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0020000 k( 184) = ( 0.0375000 0.0649519 -0.0000000), wk = 0.0020000 k( 185) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0020000 k( 186) = ( 0.0291667 0.0505182 -0.0000000), wk = 0.0020000 k( 187) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0020000 k( 188) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0020000 k( 189) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0020000 k( 190) = ( 0.0125000 0.0216506 -0.0000000), wk = 0.0020000 k( 191) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0020000 k( 192) = ( 0.0041667 0.0072169 -0.0000000), wk = 0.0020000 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 195) = ( 0.0000000 0.0000000 0.0082001), wk = 0.0020000 k( 196) = ( 0.0000000 0.0000000 0.0164001), wk = 0.0020000 k( 197) = ( 0.0000000 0.0000000 0.0246002), wk = 0.0020000 k( 198) = ( 0.0000000 0.0000000 0.0328002), wk = 0.0020000 k( 199) = ( 0.0000000 0.0000000 0.0410003), wk = 0.0020000 k( 200) = ( 0.0000000 0.0000000 0.0492003), wk = 0.0020000 k( 201) = ( 0.0000000 0.0000000 0.0574004), wk = 0.0020000 k( 202) = ( 0.0000000 0.0000000 0.0656004), wk = 0.0020000 k( 203) = ( 0.0000000 0.0000000 0.0738005), wk = 0.0020000 k( 204) = ( 0.0000000 0.0000000 0.0820005), wk = 0.0020000 k( 205) = ( 0.0000000 0.0000000 0.0902006), wk = 0.0020000 k( 206) = ( 0.0000000 0.0000000 0.0984006), wk = 0.0020000 k( 207) = ( 0.0000000 0.0000000 0.1066007), wk = 0.0020000 k( 208) = ( 0.0000000 0.0000000 0.1148008), wk = 0.0020000 k( 209) = ( 0.0000000 0.0000000 0.1230008), wk = 0.0020000 k( 210) = ( 0.0000000 0.0000000 0.1312009), wk = 0.0020000 k( 211) = ( 0.0000000 0.0000000 0.1394009), wk = 0.0020000 k( 212) = ( 0.0000000 0.0000000 0.1476010), wk = 0.0020000 k( 213) = ( 0.0000000 0.0000000 0.1558010), wk = 0.0020000 k( 214) = ( 0.0000000 0.0000000 0.1640011), wk = 0.0020000 k( 215) = ( 0.0000000 0.0000000 0.1722011), wk = 0.0020000 k( 216) = ( 0.0000000 0.0000000 0.1804012), wk = 0.0020000 k( 217) = ( 0.0000000 0.0000000 0.1886012), wk = 0.0020000 k( 218) = ( 0.0000000 0.0000000 0.1968013), wk = 0.0020000 k( 219) = ( 0.0000000 0.0000000 0.2050013), wk = 0.0020000 k( 220) = ( 0.0000000 0.0000000 0.2132014), wk = 0.0020000 k( 221) = ( 0.0000000 0.0000000 0.2214014), wk = 0.0020000 k( 222) = ( 0.0000000 0.0000000 0.2296015), wk = 0.0020000 k( 223) = ( 0.0000000 0.0000000 0.2378016), wk = 0.0020000 k( 224) = ( 0.0000000 0.0000000 0.2460016), wk = 0.0020000 k( 225) = ( 0.0000000 0.0000000 0.2542017), wk = 0.0020000 k( 226) = ( 0.0000000 0.0000000 0.2624017), wk = 0.0020000 k( 227) = ( 0.0000000 0.0000000 0.2706018), wk = 0.0020000 k( 228) = ( 0.0000000 0.0000000 0.2788018), wk = 0.0020000 k( 229) = ( 0.0000000 0.0000000 0.2870019), wk = 0.0020000 k( 230) = ( 0.0000000 0.0000000 0.2952019), wk = 0.0020000 k( 231) = ( 0.0000000 0.0000000 0.3034020), wk = 0.0020000 k( 232) = ( 0.0000000 0.0000000 0.3034020), wk = 0.0020000 k( 233) = ( 0.0071429 0.0041239 0.3034020), wk = 0.0020000 k( 234) = ( 0.0142857 0.0082479 0.3034020), wk = 0.0020000 k( 235) = ( 0.0214286 0.0123718 0.3034020), wk = 0.0020000 k( 236) = ( 0.0285714 0.0164957 0.3034020), wk = 0.0020000 k( 237) = ( 0.0357143 0.0206197 0.3034020), wk = 0.0020000 k( 238) = ( 0.0428571 0.0247436 0.3034020), wk = 0.0020000 k( 239) = ( 0.0500000 0.0288675 0.3034020), wk = 0.0020000 k( 240) = ( 0.0571429 0.0329914 0.3034020), wk = 0.0020000 k( 241) = ( 0.0642857 0.0371154 0.3034020), wk = 0.0020000 k( 242) = ( 0.0714286 0.0412393 0.3034020), wk = 0.0020000 k( 243) = ( 0.0785714 0.0453632 0.3034020), wk = 0.0020000 k( 244) = ( 0.0857143 0.0494872 0.3034020), wk = 0.0020000 k( 245) = ( 0.0928571 0.0536111 0.3034020), wk = 0.0020000 k( 246) = ( 0.1000000 0.0577350 0.3034020), wk = 0.0020000 k( 247) = ( 0.1071429 0.0618590 0.3034020), wk = 0.0020000 k( 248) = ( 0.1142857 0.0659829 0.3034020), wk = 0.0020000 k( 249) = ( 0.1214286 0.0701068 0.3034020), wk = 0.0020000 k( 250) = ( 0.1285714 0.0742307 0.3034020), wk = 0.0020000 k( 251) = ( 0.1357143 0.0783547 0.3034020), wk = 0.0020000 k( 252) = ( 0.1428571 0.0824786 0.3034020), wk = 0.0020000 k( 253) = ( 0.1500000 0.0866025 0.3034020), wk = 0.0020000 k( 254) = ( 0.1571429 0.0907265 0.3034020), wk = 0.0020000 k( 255) = ( 0.1642857 0.0948504 0.3034020), wk = 0.0020000 k( 256) = ( 0.1714286 0.0989743 0.3034020), wk = 0.0020000 k( 257) = ( 0.1785714 0.1030983 0.3034020), wk = 0.0020000 k( 258) = ( 0.1857143 0.1072222 0.3034020), wk = 0.0020000 k( 259) = ( 0.1928571 0.1113461 0.3034020), wk = 0.0020000 k( 260) = ( 0.2000000 0.1154701 0.3034020), wk = 0.0020000 k( 261) = ( 0.2071429 0.1195940 0.3034020), wk = 0.0020000 k( 262) = ( 0.2142857 0.1237179 0.3034020), wk = 0.0020000 k( 263) = ( 0.2214286 0.1278418 0.3034020), wk = 0.0020000 k( 264) = ( 0.2285714 0.1319658 0.3034020), wk = 0.0020000 k( 265) = ( 0.2357143 0.1360897 0.3034020), wk = 0.0020000 k( 266) = ( 0.2428571 0.1402136 0.3034020), wk = 0.0020000 k( 267) = ( 0.2500000 0.1443376 0.3034020), wk = 0.0020000 k( 268) = ( 0.2571429 0.1484615 0.3034020), wk = 0.0020000 k( 269) = ( 0.2642857 0.1525854 0.3034020), wk = 0.0020000 k( 270) = ( 0.2714286 0.1567094 0.3034020), wk = 0.0020000 k( 271) = ( 0.2785714 0.1608333 0.3034020), wk = 0.0020000 k( 272) = ( 0.2857143 0.1649572 0.3034020), wk = 0.0020000 k( 273) = ( 0.2928571 0.1690811 0.3034020), wk = 0.0020000 k( 274) = ( 0.3000000 0.1732051 0.3034020), wk = 0.0020000 k( 275) = ( 0.3071429 0.1773290 0.3034020), wk = 0.0020000 k( 276) = ( 0.3142857 0.1814529 0.3034020), wk = 0.0020000 k( 277) = ( 0.3214286 0.1855769 0.3034020), wk = 0.0020000 k( 278) = ( 0.3285714 0.1897008 0.3034020), wk = 0.0020000 k( 279) = ( 0.3357143 0.1938247 0.3034020), wk = 0.0020000 k( 280) = ( 0.3428571 0.1979487 0.3034020), wk = 0.0020000 k( 281) = ( 0.3500000 0.2020726 0.3034020), wk = 0.0020000 k( 282) = ( 0.3571429 0.2061965 0.3034020), wk = 0.0020000 k( 283) = ( 0.3642857 0.2103205 0.3034020), wk = 0.0020000 k( 284) = ( 0.3714286 0.2144444 0.3034020), wk = 0.0020000 k( 285) = ( 0.3785714 0.2185683 0.3034020), wk = 0.0020000 k( 286) = ( 0.3857143 0.2226922 0.3034020), wk = 0.0020000 k( 287) = ( 0.3928571 0.2268162 0.3034020), wk = 0.0020000 k( 288) = ( 0.4000000 0.2309401 0.3034020), wk = 0.0020000 k( 289) = ( 0.4071429 0.2350640 0.3034020), wk = 0.0020000 k( 290) = ( 0.4142857 0.2391880 0.3034020), wk = 0.0020000 k( 291) = ( 0.4214286 0.2433119 0.3034020), wk = 0.0020000 k( 292) = ( 0.4285714 0.2474358 0.3034020), wk = 0.0020000 k( 293) = ( 0.4357143 0.2515598 0.3034020), wk = 0.0020000 k( 294) = ( 0.4428571 0.2556837 0.3034020), wk = 0.0020000 k( 295) = ( 0.4500000 0.2598076 0.3034020), wk = 0.0020000 k( 296) = ( 0.4571429 0.2639316 0.3034020), wk = 0.0020000 k( 297) = ( 0.4642857 0.2680555 0.3034020), wk = 0.0020000 k( 298) = ( 0.4714286 0.2721794 0.3034020), wk = 0.0020000 k( 299) = ( 0.4785714 0.2763033 0.3034020), wk = 0.0020000 k( 300) = ( 0.4857143 0.2804273 0.3034020), wk = 0.0020000 k( 301) = ( 0.4928571 0.2845512 0.3034020), wk = 0.0020000 k( 302) = ( 0.5000000 0.2886751 0.3034020), wk = 0.0020000 k( 303) = ( 0.5000000 0.2886751 0.3034020), wk = 0.0020000 k( 304) = ( 0.4958333 0.2958920 0.3034020), wk = 0.0020000 k( 305) = ( 0.4916667 0.3031089 0.3034020), wk = 0.0020000 k( 306) = ( 0.4875000 0.3103258 0.3034020), wk = 0.0020000 k( 307) = ( 0.4833333 0.3175426 0.3034020), wk = 0.0020000 k( 308) = ( 0.4791667 0.3247595 0.3034020), wk = 0.0020000 k( 309) = ( 0.4750000 0.3319764 0.3034020), wk = 0.0020000 k( 310) = ( 0.4708333 0.3391933 0.3034020), wk = 0.0020000 k( 311) = ( 0.4666667 0.3464102 0.3034020), wk = 0.0020000 k( 312) = ( 0.4625000 0.3536270 0.3034020), wk = 0.0020000 k( 313) = ( 0.4583333 0.3608439 0.3034020), wk = 0.0020000 k( 314) = ( 0.4541667 0.3680608 0.3034020), wk = 0.0020000 k( 315) = ( 0.4500000 0.3752777 0.3034020), wk = 0.0020000 k( 316) = ( 0.4458333 0.3824945 0.3034020), wk = 0.0020000 k( 317) = ( 0.4416667 0.3897114 0.3034020), wk = 0.0020000 k( 318) = ( 0.4375000 0.3969283 0.3034020), wk = 0.0020000 k( 319) = ( 0.4333333 0.4041452 0.3034020), wk = 0.0020000 k( 320) = ( 0.4291667 0.4113621 0.3034020), wk = 0.0020000 k( 321) = ( 0.4250000 0.4185789 0.3034020), wk = 0.0020000 k( 322) = ( 0.4208333 0.4257958 0.3034020), wk = 0.0020000 k( 323) = ( 0.4166667 0.4330127 0.3034020), wk = 0.0020000 k( 324) = ( 0.4125000 0.4402296 0.3034020), wk = 0.0020000 k( 325) = ( 0.4083333 0.4474465 0.3034020), wk = 0.0020000 k( 326) = ( 0.4041667 0.4546633 0.3034020), wk = 0.0020000 k( 327) = ( 0.4000000 0.4618802 0.3034020), wk = 0.0020000 k( 328) = ( 0.3958333 0.4690971 0.3034020), wk = 0.0020000 k( 329) = ( 0.3916667 0.4763140 0.3034020), wk = 0.0020000 k( 330) = ( 0.3875000 0.4835309 0.3034020), wk = 0.0020000 k( 331) = ( 0.3833333 0.4907477 0.3034020), wk = 0.0020000 k( 332) = ( 0.3791667 0.4979646 0.3034020), wk = 0.0020000 k( 333) = ( 0.3750000 0.5051815 0.3034020), wk = 0.0020000 k( 334) = ( 0.3708333 0.5123984 0.3034020), wk = 0.0020000 k( 335) = ( 0.3666667 0.5196152 0.3034020), wk = 0.0020000 k( 336) = ( 0.3625000 0.5268321 0.3034020), wk = 0.0020000 k( 337) = ( 0.3583333 0.5340490 0.3034020), wk = 0.0020000 k( 338) = ( 0.3541667 0.5412659 0.3034020), wk = 0.0020000 k( 339) = ( 0.3500000 0.5484828 0.3034020), wk = 0.0020000 k( 340) = ( 0.3458333 0.5556996 0.3034020), wk = 0.0020000 k( 341) = ( 0.3416667 0.5629165 0.3034020), wk = 0.0020000 k( 342) = ( 0.3375000 0.5701334 0.3034020), wk = 0.0020000 k( 343) = ( 0.3333333 0.5773503 0.3034020), wk = 0.0020000 k( 344) = ( 0.3333333 0.5773503 0.3034020), wk = 0.0020000 k( 345) = ( 0.3291667 0.5701334 0.3034020), wk = 0.0020000 k( 346) = ( 0.3250000 0.5629165 0.3034020), wk = 0.0020000 k( 347) = ( 0.3208333 0.5556996 0.3034020), wk = 0.0020000 k( 348) = ( 0.3166667 0.5484828 0.3034020), wk = 0.0020000 k( 349) = ( 0.3125000 0.5412659 0.3034020), wk = 0.0020000 k( 350) = ( 0.3083333 0.5340490 0.3034020), wk = 0.0020000 k( 351) = ( 0.3041667 0.5268321 0.3034020), wk = 0.0020000 k( 352) = ( 0.3000000 0.5196152 0.3034020), wk = 0.0020000 k( 353) = ( 0.2958333 0.5123984 0.3034020), wk = 0.0020000 k( 354) = ( 0.2916667 0.5051815 0.3034020), wk = 0.0020000 k( 355) = ( 0.2875000 0.4979646 0.3034020), wk = 0.0020000 k( 356) = ( 0.2833333 0.4907477 0.3034020), wk = 0.0020000 k( 357) = ( 0.2791667 0.4835309 0.3034020), wk = 0.0020000 k( 358) = ( 0.2750000 0.4763140 0.3034020), wk = 0.0020000 k( 359) = ( 0.2708333 0.4690971 0.3034020), wk = 0.0020000 k( 360) = ( 0.2666667 0.4618802 0.3034020), wk = 0.0020000 k( 361) = ( 0.2625000 0.4546633 0.3034020), wk = 0.0020000 k( 362) = ( 0.2583333 0.4474465 0.3034020), wk = 0.0020000 k( 363) = ( 0.2541667 0.4402296 0.3034020), wk = 0.0020000 k( 364) = ( 0.2500000 0.4330127 0.3034020), wk = 0.0020000 k( 365) = ( 0.2458333 0.4257958 0.3034020), wk = 0.0020000 k( 366) = ( 0.2416667 0.4185790 0.3034020), wk = 0.0020000 k( 367) = ( 0.2375000 0.4113621 0.3034020), wk = 0.0020000 k( 368) = ( 0.2333333 0.4041452 0.3034020), wk = 0.0020000 k( 369) = ( 0.2291667 0.3969283 0.3034020), wk = 0.0020000 k( 370) = ( 0.2250000 0.3897114 0.3034020), wk = 0.0020000 k( 371) = ( 0.2208333 0.3824945 0.3034020), wk = 0.0020000 k( 372) = ( 0.2166667 0.3752777 0.3034020), wk = 0.0020000 k( 373) = ( 0.2125000 0.3680608 0.3034020), wk = 0.0020000 k( 374) = ( 0.2083333 0.3608439 0.3034020), wk = 0.0020000 k( 375) = ( 0.2041667 0.3536270 0.3034020), wk = 0.0020000 k( 376) = ( 0.2000000 0.3464102 0.3034020), wk = 0.0020000 k( 377) = ( 0.1958333 0.3391933 0.3034020), wk = 0.0020000 k( 378) = ( 0.1916667 0.3319764 0.3034020), wk = 0.0020000 k( 379) = ( 0.1875000 0.3247595 0.3034020), wk = 0.0020000 k( 380) = ( 0.1833333 0.3175426 0.3034020), wk = 0.0020000 k( 381) = ( 0.1791667 0.3103258 0.3034020), wk = 0.0020000 k( 382) = ( 0.1750000 0.3031089 0.3034020), wk = 0.0020000 k( 383) = ( 0.1708333 0.2958920 0.3034020), wk = 0.0020000 k( 384) = ( 0.1666667 0.2886751 0.3034020), wk = 0.0020000 k( 385) = ( 0.1625000 0.2814583 0.3034020), wk = 0.0020000 k( 386) = ( 0.1583333 0.2742414 0.3034020), wk = 0.0020000 k( 387) = ( 0.1541667 0.2670245 0.3034020), wk = 0.0020000 k( 388) = ( 0.1500000 0.2598076 0.3034020), wk = 0.0020000 k( 389) = ( 0.1458333 0.2525907 0.3034020), wk = 0.0020000 k( 390) = ( 0.1416667 0.2453739 0.3034020), wk = 0.0020000 k( 391) = ( 0.1375000 0.2381570 0.3034020), wk = 0.0020000 k( 392) = ( 0.1333333 0.2309401 0.3034020), wk = 0.0020000 k( 393) = ( 0.1291667 0.2237232 0.3034020), wk = 0.0020000 k( 394) = ( 0.1250000 0.2165064 0.3034020), wk = 0.0020000 k( 395) = ( 0.1208333 0.2092895 0.3034020), wk = 0.0020000 k( 396) = ( 0.1166667 0.2020726 0.3034020), wk = 0.0020000 k( 397) = ( 0.1125000 0.1948557 0.3034020), wk = 0.0020000 k( 398) = ( 0.1083333 0.1876388 0.3034020), wk = 0.0020000 k( 399) = ( 0.1041667 0.1804220 0.3034020), wk = 0.0020000 k( 400) = ( 0.1000000 0.1732051 0.3034020), wk = 0.0020000 k( 401) = ( 0.0958333 0.1659882 0.3034020), wk = 0.0020000 k( 402) = ( 0.0916667 0.1587713 0.3034020), wk = 0.0020000 k( 403) = ( 0.0875000 0.1515544 0.3034020), wk = 0.0020000 k( 404) = ( 0.0833333 0.1443376 0.3034020), wk = 0.0020000 k( 405) = ( 0.0791667 0.1371207 0.3034020), wk = 0.0020000 k( 406) = ( 0.0750000 0.1299038 0.3034020), wk = 0.0020000 k( 407) = ( 0.0708333 0.1226869 0.3034020), wk = 0.0020000 k( 408) = ( 0.0666667 0.1154701 0.3034020), wk = 0.0020000 k( 409) = ( 0.0625000 0.1082532 0.3034020), wk = 0.0020000 k( 410) = ( 0.0583333 0.1010363 0.3034020), wk = 0.0020000 k( 411) = ( 0.0541667 0.0938194 0.3034020), wk = 0.0020000 k( 412) = ( 0.0500000 0.0866025 0.3034020), wk = 0.0020000 k( 413) = ( 0.0458333 0.0793857 0.3034020), wk = 0.0020000 k( 414) = ( 0.0416667 0.0721688 0.3034020), wk = 0.0020000 k( 415) = ( 0.0375000 0.0649519 0.3034020), wk = 0.0020000 k( 416) = ( 0.0333333 0.0577350 0.3034020), wk = 0.0020000 k( 417) = ( 0.0291667 0.0505182 0.3034020), wk = 0.0020000 k( 418) = ( 0.0250000 0.0433013 0.3034020), wk = 0.0020000 k( 419) = ( 0.0208333 0.0360844 0.3034020), wk = 0.0020000 k( 420) = ( 0.0166667 0.0288675 0.3034020), wk = 0.0020000 k( 421) = ( 0.0125000 0.0216506 0.3034020), wk = 0.0020000 k( 422) = ( 0.0083333 0.0144338 0.3034020), wk = 0.0020000 k( 423) = ( 0.0041667 0.0072169 0.3034020), wk = 0.0020000 k( 424) = ( 0.0000000 0.0000000 0.3034020), wk = 0.0020000 k( 425) = ( 0.5000000 0.2886751 0.3034020), wk = 0.0020000 k( 426) = ( 0.5000000 0.2886751 0.2952019), wk = 0.0020000 k( 427) = ( 0.5000000 0.2886751 0.2870019), wk = 0.0020000 k( 428) = ( 0.5000000 0.2886751 0.2788018), wk = 0.0020000 k( 429) = ( 0.5000000 0.2886751 0.2706018), wk = 0.0020000 k( 430) = ( 0.5000000 0.2886751 0.2624017), wk = 0.0020000 k( 431) = ( 0.5000000 0.2886751 0.2542017), wk = 0.0020000 k( 432) = ( 0.5000000 0.2886751 0.2460016), wk = 0.0020000 k( 433) = ( 0.5000000 0.2886751 0.2378016), wk = 0.0020000 k( 434) = ( 0.5000000 0.2886751 0.2296015), wk = 0.0020000 k( 435) = ( 0.5000000 0.2886751 0.2214014), wk = 0.0020000 k( 436) = ( 0.5000000 0.2886751 0.2132014), wk = 0.0020000 k( 437) = ( 0.5000000 0.2886751 0.2050013), wk = 0.0020000 k( 438) = ( 0.5000000 0.2886751 0.1968013), wk = 0.0020000 k( 439) = ( 0.5000000 0.2886751 0.1886012), wk = 0.0020000 k( 440) = ( 0.5000000 0.2886751 0.1804012), wk = 0.0020000 k( 441) = ( 0.5000000 0.2886751 0.1722011), wk = 0.0020000 k( 442) = ( 0.5000000 0.2886751 0.1640011), wk = 0.0020000 k( 443) = ( 0.5000000 0.2886751 0.1558010), wk = 0.0020000 k( 444) = ( 0.5000000 0.2886751 0.1476010), wk = 0.0020000 k( 445) = ( 0.5000000 0.2886751 0.1394009), wk = 0.0020000 k( 446) = ( 0.5000000 0.2886751 0.1312009), wk = 0.0020000 k( 447) = ( 0.5000000 0.2886751 0.1230008), wk = 0.0020000 k( 448) = ( 0.5000000 0.2886751 0.1148008), wk = 0.0020000 k( 449) = ( 0.5000000 0.2886751 0.1066007), wk = 0.0020000 k( 450) = ( 0.5000000 0.2886751 0.0984006), wk = 0.0020000 k( 451) = ( 0.5000000 0.2886751 0.0902006), wk = 0.0020000 k( 452) = ( 0.5000000 0.2886751 0.0820005), wk = 0.0020000 k( 453) = ( 0.5000000 0.2886751 0.0738005), wk = 0.0020000 k( 454) = ( 0.5000000 0.2886751 0.0656004), wk = 0.0020000 k( 455) = ( 0.5000000 0.2886751 0.0574004), wk = 0.0020000 k( 456) = ( 0.5000000 0.2886751 0.0492003), wk = 0.0020000 k( 457) = ( 0.5000000 0.2886751 0.0410003), wk = 0.0020000 k( 458) = ( 0.5000000 0.2886751 0.0328002), wk = 0.0020000 k( 459) = ( 0.5000000 0.2886751 0.0246002), wk = 0.0020000 k( 460) = ( 0.5000000 0.2886751 0.0164001), wk = 0.0020000 k( 461) = ( 0.5000000 0.2886751 0.0082001), wk = 0.0020000 k( 462) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020000 k( 463) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020000 k( 464) = ( 0.3333333 0.5773503 0.0082001), wk = 0.0020000 k( 465) = ( 0.3333333 0.5773503 0.0164001), wk = 0.0020000 k( 466) = ( 0.3333333 0.5773503 0.0246002), wk = 0.0020000 k( 467) = ( 0.3333333 0.5773503 0.0328002), wk = 0.0020000 k( 468) = ( 0.3333333 0.5773503 0.0410003), wk = 0.0020000 k( 469) = ( 0.3333333 0.5773503 0.0492003), wk = 0.0020000 k( 470) = ( 0.3333333 0.5773503 0.0574004), wk = 0.0020000 k( 471) = ( 0.3333333 0.5773503 0.0656004), wk = 0.0020000 k( 472) = ( 0.3333333 0.5773503 0.0738005), wk = 0.0020000 k( 473) = ( 0.3333333 0.5773503 0.0820005), wk = 0.0020000 k( 474) = ( 0.3333333 0.5773503 0.0902006), wk = 0.0020000 k( 475) = ( 0.3333333 0.5773503 0.0984006), wk = 0.0020000 k( 476) = ( 0.3333333 0.5773503 0.1066007), wk = 0.0020000 k( 477) = ( 0.3333333 0.5773503 0.1148008), wk = 0.0020000 k( 478) = ( 0.3333333 0.5773503 0.1230008), wk = 0.0020000 k( 479) = ( 0.3333333 0.5773503 0.1312009), wk = 0.0020000 k( 480) = ( 0.3333333 0.5773503 0.1394009), wk = 0.0020000 k( 481) = ( 0.3333333 0.5773503 0.1476010), wk = 0.0020000 k( 482) = ( 0.3333333 0.5773503 0.1558010), wk = 0.0020000 k( 483) = ( 0.3333333 0.5773503 0.1640011), wk = 0.0020000 k( 484) = ( 0.3333333 0.5773503 0.1722011), wk = 0.0020000 k( 485) = ( 0.3333333 0.5773503 0.1804012), wk = 0.0020000 k( 486) = ( 0.3333333 0.5773503 0.1886012), wk = 0.0020000 k( 487) = ( 0.3333333 0.5773503 0.1968013), wk = 0.0020000 k( 488) = ( 0.3333333 0.5773503 0.2050013), wk = 0.0020000 k( 489) = ( 0.3333333 0.5773503 0.2132014), wk = 0.0020000 k( 490) = ( 0.3333333 0.5773503 0.2214014), wk = 0.0020000 k( 491) = ( 0.3333333 0.5773503 0.2296015), wk = 0.0020000 k( 492) = ( 0.3333333 0.5773503 0.2378016), wk = 0.0020000 k( 493) = ( 0.3333333 0.5773503 0.2460016), wk = 0.0020000 k( 494) = ( 0.3333333 0.5773503 0.2542017), wk = 0.0020000 k( 495) = ( 0.3333333 0.5773503 0.2624017), wk = 0.0020000 k( 496) = ( 0.3333333 0.5773503 0.2706018), wk = 0.0020000 k( 497) = ( 0.3333333 0.5773503 0.2788018), wk = 0.0020000 k( 498) = ( 0.3333333 0.5773503 0.2870019), wk = 0.0020000 k( 499) = ( 0.3333333 0.5773503 0.2952019), wk = 0.0020000 k( 500) = ( 0.3333333 0.5773503 0.3034020), wk = 0.0020000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 2) = ( 0.0071429 -0.0000000 -0.0000000), wk = 0.0020000 k( 3) = ( 0.0142857 -0.0000000 0.0000000), wk = 0.0020000 k( 4) = ( 0.0214286 0.0000000 0.0000000), wk = 0.0020000 k( 5) = ( 0.0285714 0.0000000 0.0000000), wk = 0.0020000 k( 6) = ( 0.0357143 -0.0000000 0.0000000), wk = 0.0020000 k( 7) = ( 0.0428571 0.0000000 0.0000000), wk = 0.0020000 k( 8) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0020000 k( 9) = ( 0.0571429 0.0000000 0.0000000), wk = 0.0020000 k( 10) = ( 0.0642857 0.0000000 0.0000000), wk = 0.0020000 k( 11) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0020000 k( 12) = ( 0.0785714 0.0000000 0.0000000), wk = 0.0020000 k( 13) = ( 0.0857143 0.0000000 -0.0000000), wk = 0.0020000 k( 14) = ( 0.0928571 0.0000000 0.0000000), wk = 0.0020000 k( 15) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0020000 k( 16) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0020000 k( 17) = ( 0.1142857 0.0000000 0.0000000), wk = 0.0020000 k( 18) = ( 0.1214286 -0.0000000 0.0000000), wk = 0.0020000 k( 19) = ( 0.1285714 0.0000000 0.0000000), wk = 0.0020000 k( 20) = ( 0.1357143 0.0000000 0.0000000), wk = 0.0020000 k( 21) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0020000 k( 22) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0020000 k( 23) = ( 0.1571429 0.0000000 0.0000000), wk = 0.0020000 k( 24) = ( 0.1642857 -0.0000000 -0.0000000), wk = 0.0020000 k( 25) = ( 0.1714286 0.0000000 0.0000000), wk = 0.0020000 k( 26) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0020000 k( 27) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0020000 k( 28) = ( 0.1928571 0.0000000 0.0000000), wk = 0.0020000 k( 29) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0020000 k( 30) = ( 0.2071429 0.0000000 0.0000000), wk = 0.0020000 k( 31) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0020000 k( 32) = ( 0.2214286 -0.0000000 -0.0000000), wk = 0.0020000 k( 33) = ( 0.2285714 0.0000000 0.0000000), wk = 0.0020000 k( 34) = ( 0.2357143 0.0000000 0.0000000), wk = 0.0020000 k( 35) = ( 0.2428571 -0.0000000 0.0000000), wk = 0.0020000 k( 36) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0020000 k( 37) = ( 0.2571429 0.0000000 0.0000000), wk = 0.0020000 k( 38) = ( 0.2642857 0.0000000 0.0000000), wk = 0.0020000 k( 39) = ( 0.2714286 0.0000000 0.0000000), wk = 0.0020000 k( 40) = ( 0.2785714 0.0000000 0.0000000), wk = 0.0020000 k( 41) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0020000 k( 42) = ( 0.2928571 0.0000000 0.0000000), wk = 0.0020000 k( 43) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0020000 k( 44) = ( 0.3071429 -0.0000000 0.0000000), wk = 0.0020000 k( 45) = ( 0.3142857 0.0000000 -0.0000000), wk = 0.0020000 k( 46) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0020000 k( 47) = ( 0.3285714 0.0000000 -0.0000000), wk = 0.0020000 k( 48) = ( 0.3357143 0.0000000 0.0000000), wk = 0.0020000 k( 49) = ( 0.3428571 0.0000000 0.0000000), wk = 0.0020000 k( 50) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0020000 k( 51) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0020000 k( 52) = ( 0.3642857 0.0000000 0.0000000), wk = 0.0020000 k( 53) = ( 0.3714286 0.0000000 -0.0000000), wk = 0.0020000 k( 54) = ( 0.3785714 0.0000000 0.0000000), wk = 0.0020000 k( 55) = ( 0.3857143 0.0000000 -0.0000000), wk = 0.0020000 k( 56) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0020000 k( 57) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0020000 k( 58) = ( 0.4071429 0.0000000 0.0000000), wk = 0.0020000 k( 59) = ( 0.4142857 0.0000000 0.0000000), wk = 0.0020000 k( 60) = ( 0.4214286 0.0000000 0.0000000), wk = 0.0020000 k( 61) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0020000 k( 62) = ( 0.4357143 0.0000000 0.0000000), wk = 0.0020000 k( 63) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0020000 k( 64) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0020000 k( 65) = ( 0.4571429 0.0000000 0.0000000), wk = 0.0020000 k( 66) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0020000 k( 67) = ( 0.4714286 0.0000000 0.0000000), wk = 0.0020000 k( 68) = ( 0.4785714 0.0000000 0.0000000), wk = 0.0020000 k( 69) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0020000 k( 70) = ( 0.4928571 -0.0000000 -0.0000000), wk = 0.0020000 k( 71) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020000 k( 72) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020000 k( 73) = ( 0.4958333 0.0083333 0.0000000), wk = 0.0020000 k( 74) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0020000 k( 75) = ( 0.4875000 0.0250000 0.0000000), wk = 0.0020000 k( 76) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0020000 k( 77) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0020000 k( 78) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0020000 k( 79) = ( 0.4708333 0.0583333 0.0000000), wk = 0.0020000 k( 80) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0020000 k( 81) = ( 0.4625000 0.0750000 0.0000000), wk = 0.0020000 k( 82) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0020000 k( 83) = ( 0.4541667 0.0916667 0.0000000), wk = 0.0020000 k( 84) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0020000 k( 85) = ( 0.4458333 0.1083333 0.0000000), wk = 0.0020000 k( 86) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0020000 k( 87) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0020000 k( 88) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0020000 k( 89) = ( 0.4291667 0.1416667 0.0000000), wk = 0.0020000 k( 90) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0020000 k( 91) = ( 0.4208333 0.1583333 0.0000000), wk = 0.0020000 k( 92) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0020000 k( 93) = ( 0.4125000 0.1750000 0.0000000), wk = 0.0020000 k( 94) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0020000 k( 95) = ( 0.4041667 0.1916667 0.0000000), wk = 0.0020000 k( 96) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0020000 k( 97) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0020000 k( 98) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0020000 k( 99) = ( 0.3875000 0.2250000 -0.0000000), wk = 0.0020000 k( 100) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0020000 k( 101) = ( 0.3791667 0.2416667 -0.0000000), wk = 0.0020000 k( 102) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0020000 k( 103) = ( 0.3708333 0.2583333 0.0000000), wk = 0.0020000 k( 104) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0020000 k( 105) = ( 0.3625000 0.2750000 -0.0000000), wk = 0.0020000 k( 106) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0020000 k( 107) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0020000 k( 108) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0020000 k( 109) = ( 0.3458333 0.3083333 -0.0000000), wk = 0.0020000 k( 110) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0020000 k( 111) = ( 0.3375000 0.3250000 -0.0000000), wk = 0.0020000 k( 112) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020000 k( 113) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020000 k( 114) = ( 0.3291667 0.3291667 0.0000000), wk = 0.0020000 k( 115) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0020000 k( 116) = ( 0.3208333 0.3208333 -0.0000000), wk = 0.0020000 k( 117) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0020000 k( 118) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0020000 k( 119) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0020000 k( 120) = ( 0.3041667 0.3041667 -0.0000000), wk = 0.0020000 k( 121) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0020000 k( 122) = ( 0.2958333 0.2958333 0.0000000), wk = 0.0020000 k( 123) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0020000 k( 124) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0020000 k( 125) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0020000 k( 126) = ( 0.2791667 0.2791667 -0.0000000), wk = 0.0020000 k( 127) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0020000 k( 128) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0020000 k( 129) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0020000 k( 130) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0020000 k( 131) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0020000 k( 132) = ( 0.2541667 0.2541667 -0.0000000), wk = 0.0020000 k( 133) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020000 k( 134) = ( 0.2458333 0.2458333 0.0000000), wk = 0.0020000 k( 135) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0020000 k( 136) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0020000 k( 137) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0020000 k( 138) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0020000 k( 139) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0020000 k( 140) = ( 0.2208333 0.2208333 0.0000000), wk = 0.0020000 k( 141) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0020000 k( 142) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0020000 k( 143) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0020000 k( 144) = ( 0.2041667 0.2041667 0.0000000), wk = 0.0020000 k( 145) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0020000 k( 146) = ( 0.1958333 0.1958333 0.0000000), wk = 0.0020000 k( 147) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0020000 k( 148) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0020000 k( 149) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0020000 k( 150) = ( 0.1791667 0.1791667 -0.0000000), wk = 0.0020000 k( 151) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0020000 k( 152) = ( 0.1708333 0.1708333 -0.0000000), wk = 0.0020000 k( 153) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0020000 k( 154) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0020000 k( 155) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0020000 k( 156) = ( 0.1541667 0.1541667 0.0000000), wk = 0.0020000 k( 157) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0020000 k( 158) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0020000 k( 159) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0020000 k( 160) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0020000 k( 161) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0020000 k( 162) = ( 0.1291667 0.1291667 0.0000000), wk = 0.0020000 k( 163) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0020000 k( 164) = ( 0.1208333 0.1208333 0.0000000), wk = 0.0020000 k( 165) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0020000 k( 166) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0020000 k( 167) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0020000 k( 168) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0020000 k( 169) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0020000 k( 170) = ( 0.0958333 0.0958333 -0.0000000), wk = 0.0020000 k( 171) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0020000 k( 172) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0020000 k( 173) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0020000 k( 174) = ( 0.0791667 0.0791667 0.0000000), wk = 0.0020000 k( 175) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0020000 k( 176) = ( 0.0708333 0.0708333 0.0000000), wk = 0.0020000 k( 177) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0020000 k( 178) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0020000 k( 179) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0020000 k( 180) = ( 0.0541667 0.0541667 0.0000000), wk = 0.0020000 k( 181) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0020000 k( 182) = ( 0.0458333 0.0458333 -0.0000000), wk = 0.0020000 k( 183) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0020000 k( 184) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0020000 k( 185) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0020000 k( 186) = ( 0.0291667 0.0291667 0.0000000), wk = 0.0020000 k( 187) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0020000 k( 188) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0020000 k( 189) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0020000 k( 190) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0020000 k( 191) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0020000 k( 192) = ( 0.0041667 0.0041667 0.0000000), wk = 0.0020000 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 195) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0020000 k( 196) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0020000 k( 197) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0020000 k( 198) = ( 0.0000000 0.0000000 0.0540541), wk = 0.0020000 k( 199) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0020000 k( 200) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0020000 k( 201) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0020000 k( 202) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0020000 k( 203) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0020000 k( 204) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0020000 k( 205) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0020000 k( 206) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0020000 k( 207) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0020000 k( 208) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0020000 k( 209) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0020000 k( 210) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0020000 k( 211) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0020000 k( 212) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0020000 k( 213) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0020000 k( 214) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0020000 k( 215) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0020000 k( 216) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0020000 k( 217) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0020000 k( 218) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0020000 k( 219) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0020000 k( 220) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0020000 k( 221) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0020000 k( 222) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0020000 k( 223) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0020000 k( 224) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0020000 k( 225) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0020000 k( 226) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0020000 k( 227) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0020000 k( 228) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0020000 k( 229) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0020000 k( 230) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0020000 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020000 k( 232) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020000 k( 233) = ( 0.0071429 -0.0000000 0.5000000), wk = 0.0020000 k( 234) = ( 0.0142857 -0.0000000 0.5000000), wk = 0.0020000 k( 235) = ( 0.0214286 0.0000000 0.5000000), wk = 0.0020000 k( 236) = ( 0.0285714 0.0000000 0.5000000), wk = 0.0020000 k( 237) = ( 0.0357143 -0.0000000 0.5000000), wk = 0.0020000 k( 238) = ( 0.0428571 0.0000000 0.5000000), wk = 0.0020000 k( 239) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0020000 k( 240) = ( 0.0571429 0.0000000 0.5000000), wk = 0.0020000 k( 241) = ( 0.0642857 0.0000000 0.5000000), wk = 0.0020000 k( 242) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0020000 k( 243) = ( 0.0785714 0.0000000 0.5000000), wk = 0.0020000 k( 244) = ( 0.0857143 0.0000000 0.5000000), wk = 0.0020000 k( 245) = ( 0.0928571 0.0000000 0.5000000), wk = 0.0020000 k( 246) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0020000 k( 247) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0020000 k( 248) = ( 0.1142857 0.0000000 0.5000000), wk = 0.0020000 k( 249) = ( 0.1214286 -0.0000000 0.5000000), wk = 0.0020000 k( 250) = ( 0.1285714 0.0000000 0.5000000), wk = 0.0020000 k( 251) = ( 0.1357143 0.0000000 0.5000000), wk = 0.0020000 k( 252) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0020000 k( 253) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0020000 k( 254) = ( 0.1571429 0.0000000 0.5000000), wk = 0.0020000 k( 255) = ( 0.1642857 -0.0000000 0.5000000), wk = 0.0020000 k( 256) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0020000 k( 257) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0020000 k( 258) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0020000 k( 259) = ( 0.1928571 0.0000000 0.5000000), wk = 0.0020000 k( 260) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0020000 k( 261) = ( 0.2071429 0.0000000 0.5000000), wk = 0.0020000 k( 262) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0020000 k( 263) = ( 0.2214286 -0.0000000 0.5000000), wk = 0.0020000 k( 264) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0020000 k( 265) = ( 0.2357143 0.0000000 0.5000000), wk = 0.0020000 k( 266) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0020000 k( 267) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020000 k( 268) = ( 0.2571429 0.0000000 0.5000000), wk = 0.0020000 k( 269) = ( 0.2642857 0.0000000 0.5000000), wk = 0.0020000 k( 270) = ( 0.2714286 0.0000000 0.5000000), wk = 0.0020000 k( 271) = ( 0.2785714 0.0000000 0.5000000), wk = 0.0020000 k( 272) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0020000 k( 273) = ( 0.2928571 0.0000000 0.5000000), wk = 0.0020000 k( 274) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0020000 k( 275) = ( 0.3071429 -0.0000000 0.5000000), wk = 0.0020000 k( 276) = ( 0.3142857 0.0000000 0.5000000), wk = 0.0020000 k( 277) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0020000 k( 278) = ( 0.3285714 0.0000000 0.5000000), wk = 0.0020000 k( 279) = ( 0.3357143 0.0000000 0.5000000), wk = 0.0020000 k( 280) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0020000 k( 281) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0020000 k( 282) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0020000 k( 283) = ( 0.3642857 0.0000000 0.5000000), wk = 0.0020000 k( 284) = ( 0.3714286 0.0000000 0.5000000), wk = 0.0020000 k( 285) = ( 0.3785714 0.0000000 0.5000000), wk = 0.0020000 k( 286) = ( 0.3857143 0.0000000 0.5000000), wk = 0.0020000 k( 287) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0020000 k( 288) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0020000 k( 289) = ( 0.4071429 0.0000000 0.5000000), wk = 0.0020000 k( 290) = ( 0.4142857 0.0000000 0.5000000), wk = 0.0020000 k( 291) = ( 0.4214286 0.0000000 0.5000000), wk = 0.0020000 k( 292) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0020000 k( 293) = ( 0.4357143 0.0000000 0.5000000), wk = 0.0020000 k( 294) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0020000 k( 295) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0020000 k( 296) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0020000 k( 297) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0020000 k( 298) = ( 0.4714286 0.0000000 0.5000000), wk = 0.0020000 k( 299) = ( 0.4785714 0.0000000 0.5000000), wk = 0.0020000 k( 300) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0020000 k( 301) = ( 0.4928571 -0.0000000 0.5000000), wk = 0.0020000 k( 302) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 303) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 304) = ( 0.4958333 0.0083333 0.5000000), wk = 0.0020000 k( 305) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0020000 k( 306) = ( 0.4875000 0.0250000 0.5000000), wk = 0.0020000 k( 307) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0020000 k( 308) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0020000 k( 309) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0020000 k( 310) = ( 0.4708333 0.0583333 0.5000000), wk = 0.0020000 k( 311) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0020000 k( 312) = ( 0.4625000 0.0750000 0.5000000), wk = 0.0020000 k( 313) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0020000 k( 314) = ( 0.4541667 0.0916667 0.5000000), wk = 0.0020000 k( 315) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0020000 k( 316) = ( 0.4458333 0.1083333 0.5000000), wk = 0.0020000 k( 317) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0020000 k( 318) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0020000 k( 319) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0020000 k( 320) = ( 0.4291667 0.1416667 0.5000000), wk = 0.0020000 k( 321) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0020000 k( 322) = ( 0.4208333 0.1583333 0.5000000), wk = 0.0020000 k( 323) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0020000 k( 324) = ( 0.4125000 0.1750000 0.5000000), wk = 0.0020000 k( 325) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0020000 k( 326) = ( 0.4041667 0.1916667 0.5000000), wk = 0.0020000 k( 327) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0020000 k( 328) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0020000 k( 329) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0020000 k( 330) = ( 0.3875000 0.2250000 0.5000000), wk = 0.0020000 k( 331) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0020000 k( 332) = ( 0.3791667 0.2416667 0.5000000), wk = 0.0020000 k( 333) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0020000 k( 334) = ( 0.3708333 0.2583333 0.5000000), wk = 0.0020000 k( 335) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0020000 k( 336) = ( 0.3625000 0.2750000 0.5000000), wk = 0.0020000 k( 337) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0020000 k( 338) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0020000 k( 339) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0020000 k( 340) = ( 0.3458333 0.3083333 0.5000000), wk = 0.0020000 k( 341) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0020000 k( 342) = ( 0.3375000 0.3250000 0.5000000), wk = 0.0020000 k( 343) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020000 k( 344) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020000 k( 345) = ( 0.3291667 0.3291667 0.5000000), wk = 0.0020000 k( 346) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0020000 k( 347) = ( 0.3208333 0.3208333 0.5000000), wk = 0.0020000 k( 348) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0020000 k( 349) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0020000 k( 350) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0020000 k( 351) = ( 0.3041667 0.3041667 0.5000000), wk = 0.0020000 k( 352) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0020000 k( 353) = ( 0.2958333 0.2958333 0.5000000), wk = 0.0020000 k( 354) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0020000 k( 355) = ( 0.2875000 0.2875000 0.5000000), wk = 0.0020000 k( 356) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0020000 k( 357) = ( 0.2791667 0.2791667 0.5000000), wk = 0.0020000 k( 358) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0020000 k( 359) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0020000 k( 360) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0020000 k( 361) = ( 0.2625000 0.2625000 0.5000000), wk = 0.0020000 k( 362) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0020000 k( 363) = ( 0.2541667 0.2541667 0.5000000), wk = 0.0020000 k( 364) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020000 k( 365) = ( 0.2458333 0.2458333 0.5000000), wk = 0.0020000 k( 366) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0020000 k( 367) = ( 0.2375000 0.2375000 0.5000000), wk = 0.0020000 k( 368) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0020000 k( 369) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0020000 k( 370) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0020000 k( 371) = ( 0.2208333 0.2208333 0.5000000), wk = 0.0020000 k( 372) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0020000 k( 373) = ( 0.2125000 0.2125000 0.5000000), wk = 0.0020000 k( 374) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0020000 k( 375) = ( 0.2041667 0.2041667 0.5000000), wk = 0.0020000 k( 376) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0020000 k( 377) = ( 0.1958333 0.1958333 0.5000000), wk = 0.0020000 k( 378) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0020000 k( 379) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0020000 k( 380) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0020000 k( 381) = ( 0.1791667 0.1791667 0.5000000), wk = 0.0020000 k( 382) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0020000 k( 383) = ( 0.1708333 0.1708333 0.5000000), wk = 0.0020000 k( 384) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0020000 k( 385) = ( 0.1625000 0.1625000 0.5000000), wk = 0.0020000 k( 386) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0020000 k( 387) = ( 0.1541667 0.1541667 0.5000000), wk = 0.0020000 k( 388) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0020000 k( 389) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0020000 k( 390) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0020000 k( 391) = ( 0.1375000 0.1375000 0.5000000), wk = 0.0020000 k( 392) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0020000 k( 393) = ( 0.1291667 0.1291667 0.5000000), wk = 0.0020000 k( 394) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0020000 k( 395) = ( 0.1208333 0.1208333 0.5000000), wk = 0.0020000 k( 396) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0020000 k( 397) = ( 0.1125000 0.1125000 0.5000000), wk = 0.0020000 k( 398) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0020000 k( 399) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0020000 k( 400) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0020000 k( 401) = ( 0.0958333 0.0958333 0.5000000), wk = 0.0020000 k( 402) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0020000 k( 403) = ( 0.0875000 0.0875000 0.5000000), wk = 0.0020000 k( 404) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0020000 k( 405) = ( 0.0791667 0.0791667 0.5000000), wk = 0.0020000 k( 406) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0020000 k( 407) = ( 0.0708333 0.0708333 0.5000000), wk = 0.0020000 k( 408) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0020000 k( 409) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0020000 k( 410) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0020000 k( 411) = ( 0.0541667 0.0541667 0.5000000), wk = 0.0020000 k( 412) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0020000 k( 413) = ( 0.0458333 0.0458333 0.5000000), wk = 0.0020000 k( 414) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0020000 k( 415) = ( 0.0375000 0.0375000 0.5000000), wk = 0.0020000 k( 416) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0020000 k( 417) = ( 0.0291667 0.0291667 0.5000000), wk = 0.0020000 k( 418) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0020000 k( 419) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0020000 k( 420) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0020000 k( 421) = ( 0.0125000 0.0125000 0.5000000), wk = 0.0020000 k( 422) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0020000 k( 423) = ( 0.0041667 0.0041667 0.5000000), wk = 0.0020000 k( 424) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020000 k( 425) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 426) = ( 0.5000000 0.0000000 0.4864865), wk = 0.0020000 k( 427) = ( 0.5000000 0.0000000 0.4729730), wk = 0.0020000 k( 428) = ( 0.5000000 0.0000000 0.4594595), wk = 0.0020000 k( 429) = ( 0.5000000 0.0000000 0.4459459), wk = 0.0020000 k( 430) = ( 0.5000000 0.0000000 0.4324324), wk = 0.0020000 k( 431) = ( 0.5000000 0.0000000 0.4189189), wk = 0.0020000 k( 432) = ( 0.5000000 0.0000000 0.4054054), wk = 0.0020000 k( 433) = ( 0.5000000 0.0000000 0.3918919), wk = 0.0020000 k( 434) = ( 0.5000000 0.0000000 0.3783784), wk = 0.0020000 k( 435) = ( 0.5000000 0.0000000 0.3648649), wk = 0.0020000 k( 436) = ( 0.5000000 0.0000000 0.3513514), wk = 0.0020000 k( 437) = ( 0.5000000 0.0000000 0.3378378), wk = 0.0020000 k( 438) = ( 0.5000000 0.0000000 0.3243243), wk = 0.0020000 k( 439) = ( 0.5000000 0.0000000 0.3108108), wk = 0.0020000 k( 440) = ( 0.5000000 0.0000000 0.2972973), wk = 0.0020000 k( 441) = ( 0.5000000 0.0000000 0.2837838), wk = 0.0020000 k( 442) = ( 0.5000000 0.0000000 0.2702703), wk = 0.0020000 k( 443) = ( 0.5000000 0.0000000 0.2567568), wk = 0.0020000 k( 444) = ( 0.5000000 0.0000000 0.2432432), wk = 0.0020000 k( 445) = ( 0.5000000 0.0000000 0.2297297), wk = 0.0020000 k( 446) = ( 0.5000000 0.0000000 0.2162162), wk = 0.0020000 k( 447) = ( 0.5000000 0.0000000 0.2027027), wk = 0.0020000 k( 448) = ( 0.5000000 0.0000000 0.1891892), wk = 0.0020000 k( 449) = ( 0.5000000 0.0000000 0.1756757), wk = 0.0020000 k( 450) = ( 0.5000000 0.0000000 0.1621622), wk = 0.0020000 k( 451) = ( 0.5000000 0.0000000 0.1486486), wk = 0.0020000 k( 452) = ( 0.5000000 0.0000000 0.1351351), wk = 0.0020000 k( 453) = ( 0.5000000 0.0000000 0.1216216), wk = 0.0020000 k( 454) = ( 0.5000000 0.0000000 0.1081081), wk = 0.0020000 k( 455) = ( 0.5000000 0.0000000 0.0945946), wk = 0.0020000 k( 456) = ( 0.5000000 0.0000000 0.0810811), wk = 0.0020000 k( 457) = ( 0.5000000 0.0000000 0.0675676), wk = 0.0020000 k( 458) = ( 0.5000000 0.0000000 0.0540540), wk = 0.0020000 k( 459) = ( 0.5000000 0.0000000 0.0405405), wk = 0.0020000 k( 460) = ( 0.5000000 0.0000000 0.0270270), wk = 0.0020000 k( 461) = ( 0.5000000 0.0000000 0.0135135), wk = 0.0020000 k( 462) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020000 k( 463) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020000 k( 464) = ( 0.3333333 0.3333333 0.0135135), wk = 0.0020000 k( 465) = ( 0.3333333 0.3333333 0.0270270), wk = 0.0020000 k( 466) = ( 0.3333333 0.3333333 0.0405405), wk = 0.0020000 k( 467) = ( 0.3333333 0.3333333 0.0540540), wk = 0.0020000 k( 468) = ( 0.3333333 0.3333333 0.0675676), wk = 0.0020000 k( 469) = ( 0.3333333 0.3333333 0.0810811), wk = 0.0020000 k( 470) = ( 0.3333333 0.3333333 0.0945946), wk = 0.0020000 k( 471) = ( 0.3333333 0.3333333 0.1081081), wk = 0.0020000 k( 472) = ( 0.3333333 0.3333333 0.1216216), wk = 0.0020000 k( 473) = ( 0.3333333 0.3333333 0.1351351), wk = 0.0020000 k( 474) = ( 0.3333333 0.3333333 0.1486486), wk = 0.0020000 k( 475) = ( 0.3333333 0.3333333 0.1621622), wk = 0.0020000 k( 476) = ( 0.3333333 0.3333333 0.1756757), wk = 0.0020000 k( 477) = ( 0.3333333 0.3333333 0.1891892), wk = 0.0020000 k( 478) = ( 0.3333333 0.3333333 0.2027027), wk = 0.0020000 k( 479) = ( 0.3333333 0.3333333 0.2162162), wk = 0.0020000 k( 480) = ( 0.3333333 0.3333333 0.2297297), wk = 0.0020000 k( 481) = ( 0.3333333 0.3333333 0.2432432), wk = 0.0020000 k( 482) = ( 0.3333333 0.3333333 0.2567568), wk = 0.0020000 k( 483) = ( 0.3333333 0.3333333 0.2702703), wk = 0.0020000 k( 484) = ( 0.3333333 0.3333333 0.2837838), wk = 0.0020000 k( 485) = ( 0.3333333 0.3333333 0.2972973), wk = 0.0020000 k( 486) = ( 0.3333333 0.3333333 0.3108108), wk = 0.0020000 k( 487) = ( 0.3333333 0.3333333 0.3243243), wk = 0.0020000 k( 488) = ( 0.3333333 0.3333333 0.3378378), wk = 0.0020000 k( 489) = ( 0.3333333 0.3333333 0.3513514), wk = 0.0020000 k( 490) = ( 0.3333333 0.3333333 0.3648649), wk = 0.0020000 k( 491) = ( 0.3333333 0.3333333 0.3783784), wk = 0.0020000 k( 492) = ( 0.3333333 0.3333333 0.3918919), wk = 0.0020000 k( 493) = ( 0.3333333 0.3333333 0.4054054), wk = 0.0020000 k( 494) = ( 0.3333333 0.3333333 0.4189189), wk = 0.0020000 k( 495) = ( 0.3333333 0.3333333 0.4324324), wk = 0.0020000 k( 496) = ( 0.3333333 0.3333333 0.4459460), wk = 0.0020000 k( 497) = ( 0.3333333 0.3333333 0.4594595), wk = 0.0020000 k( 498) = ( 0.3333333 0.3333333 0.4729730), wk = 0.0020000 k( 499) = ( 0.3333333 0.3333333 0.4864865), wk = 0.0020000 k( 500) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020000 Dense grid: 10575 G-vectors FFT dimensions: ( 25, 25, 40) Smooth grid: 6375 G-vectors FFT dimensions: ( 24, 24, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 56, 28) NL pseudopotentials 0.03 Mb ( 28, 68) Each V/rho on FFT grid 0.02 Mb ( 1250) Each G-vector array 0.00 Mb ( 297) G-vector shells 0.00 Mb ( 154) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 56, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 68, 2, 28) The potential is recalculated from file : ./Ni.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.2 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.4 secs Computing kpt #: 17 total cpu time spent up to now is 3.5 secs Computing kpt #: 18 total cpu time spent up to now is 3.6 secs Computing kpt #: 19 total cpu time spent up to now is 3.7 secs Computing kpt #: 20 total cpu time spent up to now is 3.7 secs Computing kpt #: 21 total cpu time spent up to now is 3.8 secs Computing kpt #: 22 total cpu time spent up to now is 3.9 secs Computing kpt #: 23 total cpu time spent up to now is 4.0 secs Computing kpt #: 24 total cpu time spent up to now is 4.1 secs Computing kpt #: 25 total cpu time spent up to now is 4.1 secs Computing kpt #: 26 total cpu time spent up to now is 4.2 secs Computing kpt #: 27 total cpu time spent up to now is 4.3 secs Computing kpt #: 28 total cpu time spent up to now is 4.4 secs Computing kpt #: 29 total cpu time spent up to now is 4.5 secs Computing kpt #: 30 total cpu time spent up to now is 4.5 secs Computing kpt #: 31 total cpu time spent up to now is 4.6 secs Computing kpt #: 32 total cpu time spent up to now is 4.7 secs Computing kpt #: 33 total cpu time spent up to now is 4.7 secs Computing kpt #: 34 total cpu time spent up to now is 4.8 secs Computing kpt #: 35 total cpu time spent up to now is 4.9 secs Computing kpt #: 36 total cpu time spent up to now is 4.9 secs Computing kpt #: 37 total cpu time spent up to now is 5.0 secs Computing kpt #: 38 total cpu time spent up to now is 5.1 secs Computing kpt #: 39 total cpu time spent up to now is 5.2 secs Computing kpt #: 40 total cpu time spent up to now is 5.2 secs Computing kpt #: 41 total cpu time spent up to now is 5.3 secs Computing kpt #: 42 total cpu time spent up to now is 5.4 secs Computing kpt #: 43 total cpu time spent up to now is 5.4 secs Computing kpt #: 44 total cpu time spent up to now is 5.5 secs Computing kpt #: 45 total cpu time spent up to now is 5.6 secs Computing kpt #: 46 total cpu time spent up to now is 5.6 secs Computing kpt #: 47 total cpu time spent up to now is 5.7 secs Computing kpt #: 48 total cpu time spent up to now is 5.8 secs Computing kpt #: 49 total cpu time spent up to now is 5.9 secs Computing kpt #: 50 total cpu time spent up to now is 5.9 secs Computing kpt #: 51 total cpu time spent up to now is 6.0 secs Computing kpt #: 52 total cpu time spent up to now is 6.1 secs Computing kpt #: 53 total cpu time spent up to now is 6.1 secs Computing kpt #: 54 total cpu time spent up to now is 6.2 secs Computing kpt #: 55 total cpu time spent up to now is 6.3 secs Computing kpt #: 56 total cpu time spent up to now is 6.4 secs Computing kpt #: 57 total cpu time spent up to now is 6.4 secs Computing kpt #: 58 total cpu time spent up to now is 6.5 secs Computing kpt #: 59 total cpu time spent up to now is 6.6 secs Computing kpt #: 60 total cpu time spent up to now is 6.7 secs Computing kpt #: 61 total cpu time spent up to now is 6.8 secs Computing kpt #: 62 total cpu time spent up to now is 6.9 secs Computing kpt #: 63 total cpu time spent up to now is 7.0 secs Computing kpt #: 64 total cpu time spent up to now is 7.1 secs Computing kpt #: 65 total cpu time spent up to now is 7.1 secs Computing kpt #: 66 total cpu time spent up to now is 7.2 secs Computing kpt #: 67 total cpu time spent up to now is 7.3 secs Computing kpt #: 68 total cpu time spent up to now is 7.4 secs Computing kpt #: 69 total cpu time spent up to now is 7.5 secs Computing kpt #: 70 total cpu time spent up to now is 7.6 secs Computing kpt #: 71 total cpu time spent up to now is 7.6 secs Computing kpt #: 72 total cpu time spent up to now is 7.7 secs Computing kpt #: 73 total cpu time spent up to now is 7.8 secs Computing kpt #: 74 total cpu time spent up to now is 7.9 secs Computing kpt #: 75 total cpu time spent up to now is 7.9 secs Computing kpt #: 76 total cpu time spent up to now is 8.0 secs Computing kpt #: 77 total cpu time spent up to now is 8.1 secs Computing kpt #: 78 total cpu time spent up to now is 8.2 secs Computing kpt #: 79 total cpu time spent up to now is 8.3 secs Computing kpt #: 80 total cpu time spent up to now is 8.3 secs Computing kpt #: 81 total cpu time spent up to now is 8.4 secs Computing kpt #: 82 total cpu time spent up to now is 8.5 secs Computing kpt #: 83 total cpu time spent up to now is 8.6 secs Computing kpt #: 84 total cpu time spent up to now is 8.6 secs Computing kpt #: 85 total cpu time spent up to now is 8.7 secs Computing kpt #: 86 total cpu time spent up to now is 8.8 secs Computing kpt #: 87 total cpu time spent up to now is 8.9 secs Computing kpt #: 88 total cpu time spent up to now is 9.0 secs Computing kpt #: 89 total cpu time spent up to now is 9.1 secs Computing kpt #: 90 total cpu time spent up to now is 9.2 secs Computing kpt #: 91 total cpu time spent up to now is 9.3 secs Computing kpt #: 92 total cpu time spent up to now is 9.4 secs Computing kpt #: 93 total cpu time spent up to now is 9.5 secs Computing kpt #: 94 total cpu time spent up to now is 9.6 secs Computing kpt #: 95 total cpu time spent up to now is 9.7 secs Computing kpt #: 96 total cpu time spent up to now is 9.9 secs Computing kpt #: 97 total cpu time spent up to now is 10.0 secs Computing kpt #: 98 total cpu time spent up to now is 10.1 secs Computing kpt #: 99 total cpu time spent up to now is 10.2 secs Computing kpt #: 100 total cpu time spent up to now is 10.3 secs Computing kpt #: 101 total cpu time spent up to now is 10.5 secs Computing kpt #: 102 total cpu time spent up to now is 10.6 secs Computing kpt #: 103 total cpu time spent up to now is 10.7 secs Computing kpt #: 104 total cpu time spent up to now is 10.8 secs Computing kpt #: 105 total cpu time spent up to now is 10.9 secs Computing kpt #: 106 total cpu time spent up to now is 11.1 secs Computing kpt #: 107 total cpu time spent up to now is 11.2 secs Computing kpt #: 108 total cpu time spent up to now is 11.3 secs Computing kpt #: 109 total cpu time spent up to now is 11.4 secs Computing kpt #: 110 total cpu time spent up to now is 11.5 secs Computing kpt #: 111 total cpu time spent up to now is 11.6 secs Computing kpt #: 112 total cpu time spent up to now is 11.7 secs Computing kpt #: 113 total cpu time spent up to now is 11.7 secs Computing kpt #: 114 total cpu time spent up to now is 11.8 secs Computing kpt #: 115 total cpu time spent up to now is 11.9 secs Computing kpt #: 116 total cpu time spent up to now is 12.0 secs Computing kpt #: 117 total cpu time spent up to now is 12.2 secs Computing kpt #: 118 total cpu time spent up to now is 12.3 secs Computing kpt #: 119 total cpu time spent up to now is 12.4 secs Computing kpt #: 120 total cpu time spent up to now is 12.5 secs Computing kpt #: 121 total cpu time spent up to now is 12.7 secs Computing kpt #: 122 total cpu time spent up to now is 12.8 secs Computing kpt #: 123 total cpu time spent up to now is 12.9 secs Computing kpt #: 124 total cpu time spent up to now is 13.0 secs Computing kpt #: 125 total cpu time spent up to now is 13.1 secs Computing kpt #: 126 total cpu time spent up to now is 13.2 secs Computing kpt #: 127 total cpu time spent up to now is 13.3 secs Computing kpt #: 128 total cpu time spent up to now is 13.5 secs Computing kpt #: 129 total cpu time spent up to now is 13.6 secs Computing kpt #: 130 total cpu time spent up to now is 13.7 secs Computing kpt #: 131 total cpu time spent up to now is 13.8 secs Computing kpt #: 132 total cpu time spent up to now is 13.9 secs Computing kpt #: 133 total cpu time spent up to now is 14.0 secs Computing kpt #: 134 total cpu time spent up to now is 14.1 secs Computing kpt #: 135 total cpu time spent up to now is 14.2 secs Computing kpt #: 136 total cpu time spent up to now is 14.3 secs Computing kpt #: 137 total cpu time spent up to now is 14.4 secs Computing kpt #: 138 total cpu time spent up to now is 14.4 secs Computing kpt #: 139 total cpu time spent up to now is 14.5 secs Computing kpt #: 140 total cpu time spent up to now is 14.6 secs Computing kpt #: 141 total cpu time spent up to now is 14.7 secs Computing kpt #: 142 total cpu time spent up to now is 14.8 secs Computing kpt #: 143 total cpu time spent up to now is 14.9 secs Computing kpt #: 144 total cpu time spent up to now is 15.0 secs Computing kpt #: 145 total cpu time spent up to now is 15.1 secs Computing kpt #: 146 total cpu time spent up to now is 15.2 secs Computing kpt #: 147 total cpu time spent up to now is 15.3 secs Computing kpt #: 148 total cpu time spent up to now is 15.4 secs Computing kpt #: 149 total cpu time spent up to now is 15.5 secs Computing kpt #: 150 total cpu time spent up to now is 15.6 secs Computing kpt #: 151 total cpu time spent up to now is 15.7 secs Computing kpt #: 152 total cpu time spent up to now is 15.8 secs Computing kpt #: 153 total cpu time spent up to now is 15.9 secs Computing kpt #: 154 total cpu time spent up to now is 16.0 secs Computing kpt #: 155 total cpu time spent up to now is 16.1 secs Computing kpt #: 156 total cpu time spent up to now is 16.2 secs Computing kpt #: 157 total cpu time spent up to now is 16.3 secs Computing kpt #: 158 total cpu time spent up to now is 16.4 secs Computing kpt #: 159 total cpu time spent up to now is 16.5 secs Computing kpt #: 160 total cpu time spent up to now is 16.6 secs Computing kpt #: 161 total cpu time spent up to now is 16.8 secs Computing kpt #: 162 total cpu time spent up to now is 16.9 secs Computing kpt #: 163 total cpu time spent up to now is 17.0 secs Computing kpt #: 164 total cpu time spent up to now is 17.1 secs Computing kpt #: 165 total cpu time spent up to now is 17.2 secs Computing kpt #: 166 total cpu time spent up to now is 17.4 secs Computing kpt #: 167 total cpu time spent up to now is 17.5 secs Computing kpt #: 168 total cpu time spent up to now is 17.6 secs Computing kpt #: 169 total cpu time spent up to now is 17.7 secs Computing kpt #: 170 total cpu time spent up to now is 17.8 secs Computing kpt #: 171 total cpu time spent up to now is 17.9 secs Computing kpt #: 172 total cpu time spent up to now is 18.1 secs Computing kpt #: 173 total cpu time spent up to now is 18.2 secs Computing kpt #: 174 total cpu time spent up to now is 18.3 secs Computing kpt #: 175 total cpu time spent up to now is 18.4 secs Computing kpt #: 176 total cpu time spent up to now is 18.6 secs Computing kpt #: 177 total cpu time spent up to now is 18.7 secs Computing kpt #: 178 total cpu time spent up to now is 18.9 secs Computing kpt #: 179 total cpu time spent up to now is 19.0 secs Computing kpt #: 180 total cpu time spent up to now is 19.2 secs Computing kpt #: 181 total cpu time spent up to now is 19.4 secs Computing kpt #: 182 total cpu time spent up to now is 19.5 secs Computing kpt #: 183 total cpu time spent up to now is 19.7 secs Computing kpt #: 184 total cpu time spent up to now is 19.9 secs Computing kpt #: 185 total cpu time spent up to now is 20.0 secs Computing kpt #: 186 total cpu time spent up to now is 20.2 secs Computing kpt #: 187 total cpu time spent up to now is 20.4 secs Computing kpt #: 188 total cpu time spent up to now is 20.6 secs Computing kpt #: 189 total cpu time spent up to now is 20.8 secs Computing kpt #: 190 total cpu time spent up to now is 21.0 secs Computing kpt #: 191 total cpu time spent up to now is 21.2 secs Computing kpt #: 192 total cpu time spent up to now is 21.4 secs Computing kpt #: 193 total cpu time spent up to now is 21.6 secs Computing kpt #: 194 total cpu time spent up to now is 21.8 secs Computing kpt #: 195 total cpu time spent up to now is 22.0 secs Computing kpt #: 196 total cpu time spent up to now is 22.3 secs Computing kpt #: 197 total cpu time spent up to now is 22.5 secs Computing kpt #: 198 total cpu time spent up to now is 22.6 secs Computing kpt #: 199 total cpu time spent up to now is 22.8 secs Computing kpt #: 200 total cpu time spent up to now is 23.0 secs Computing kpt #: 201 total cpu time spent up to now is 23.2 secs Computing kpt #: 202 total cpu time spent up to now is 23.4 secs Computing kpt #: 203 total cpu time spent up to now is 23.6 secs Computing kpt #: 204 total cpu time spent up to now is 23.8 secs Computing kpt #: 205 total cpu time spent up to now is 24.0 secs Computing kpt #: 206 total cpu time spent up to now is 24.1 secs Computing kpt #: 207 total cpu time spent up to now is 24.3 secs Computing kpt #: 208 total cpu time spent up to now is 24.4 secs Computing kpt #: 209 total cpu time spent up to now is 24.5 secs Computing kpt #: 210 total cpu time spent up to now is 24.6 secs Computing kpt #: 211 total cpu time spent up to now is 24.7 secs Computing kpt #: 212 total cpu time spent up to now is 24.8 secs Computing kpt #: 213 total cpu time spent up to now is 24.9 secs Computing kpt #: 214 total cpu time spent up to now is 25.0 secs Computing kpt #: 215 total cpu time spent up to now is 25.1 secs Computing kpt #: 216 total cpu time spent up to now is 25.2 secs Computing kpt #: 217 total cpu time spent up to now is 25.3 secs Computing kpt #: 218 total cpu time spent up to now is 25.4 secs Computing kpt #: 219 total cpu time spent up to now is 25.5 secs Computing kpt #: 220 total cpu time spent up to now is 25.6 secs Computing kpt #: 221 total cpu time spent up to now is 25.7 secs Computing kpt #: 222 total cpu time spent up to now is 25.8 secs Computing kpt #: 223 total cpu time spent up to now is 25.8 secs Computing kpt #: 224 total cpu time spent up to now is 25.9 secs Computing kpt #: 225 total cpu time spent up to now is 26.0 secs Computing kpt #: 226 total cpu time spent up to now is 26.1 secs Computing kpt #: 227 total cpu time spent up to now is 26.2 secs Computing kpt #: 228 total cpu time spent up to now is 26.2 secs Computing kpt #: 229 total cpu time spent up to now is 26.3 secs Computing kpt #: 230 total cpu time spent up to now is 26.4 secs Computing kpt #: 231 total cpu time spent up to now is 26.5 secs Computing kpt #: 232 total cpu time spent up to now is 26.5 secs Computing kpt #: 233 total cpu time spent up to now is 26.6 secs Computing kpt #: 234 total cpu time spent up to now is 26.7 secs Computing kpt #: 235 total cpu time spent up to now is 26.8 secs Computing kpt #: 236 total cpu time spent up to now is 26.8 secs Computing kpt #: 237 total cpu time spent up to now is 26.9 secs Computing kpt #: 238 total cpu time spent up to now is 27.0 secs Computing kpt #: 239 total cpu time spent up to now is 27.1 secs Computing kpt #: 240 total cpu time spent up to now is 27.1 secs Computing kpt #: 241 total cpu time spent up to now is 27.2 secs Computing kpt #: 242 total cpu time spent up to now is 27.3 secs Computing kpt #: 243 total cpu time spent up to now is 27.4 secs Computing kpt #: 244 total cpu time spent up to now is 27.4 secs Computing kpt #: 245 total cpu time spent up to now is 27.5 secs Computing kpt #: 246 total cpu time spent up to now is 27.6 secs Computing kpt #: 247 total cpu time spent up to now is 27.7 secs Computing kpt #: 248 total cpu time spent up to now is 27.7 secs Computing kpt #: 249 total cpu time spent up to now is 27.8 secs Computing kpt #: 250 total cpu time spent up to now is 27.9 secs Computing kpt #: 251 total cpu time spent up to now is 28.0 secs Computing kpt #: 252 total cpu time spent up to now is 28.1 secs Computing kpt #: 253 total cpu time spent up to now is 28.2 secs Computing kpt #: 254 total cpu time spent up to now is 28.3 secs Computing kpt #: 255 total cpu time spent up to now is 28.3 secs Computing kpt #: 256 total cpu time spent up to now is 28.4 secs Computing kpt #: 257 total cpu time spent up to now is 28.5 secs Computing kpt #: 258 total cpu time spent up to now is 28.6 secs Computing kpt #: 259 total cpu time spent up to now is 28.7 secs Computing kpt #: 260 total cpu time spent up to now is 28.8 secs Computing kpt #: 261 total cpu time spent up to now is 28.9 secs Computing kpt #: 262 total cpu time spent up to now is 29.0 secs Computing kpt #: 263 total cpu time spent up to now is 29.1 secs Computing kpt #: 264 total cpu time spent up to now is 29.2 secs Computing kpt #: 265 total cpu time spent up to now is 29.3 secs Computing kpt #: 266 total cpu time spent up to now is 29.4 secs Computing kpt #: 267 total cpu time spent up to now is 29.5 secs Computing kpt #: 268 total cpu time spent up to now is 29.6 secs Computing kpt #: 269 total cpu time spent up to now is 29.7 secs Computing kpt #: 270 total cpu time spent up to now is 29.8 secs Computing kpt #: 271 total cpu time spent up to now is 29.9 secs Computing kpt #: 272 total cpu time spent up to now is 30.0 secs Computing kpt #: 273 total cpu time spent up to now is 30.1 secs Computing kpt #: 274 total cpu time spent up to now is 30.1 secs Computing kpt #: 275 total cpu time spent up to now is 30.2 secs Computing kpt #: 276 total cpu time spent up to now is 30.3 secs Computing kpt #: 277 total cpu time spent up to now is 30.4 secs Computing kpt #: 278 total cpu time spent up to now is 30.5 secs Computing kpt #: 279 total cpu time spent up to now is 30.5 secs Computing kpt #: 280 total cpu time spent up to now is 30.6 secs Computing kpt #: 281 total cpu time spent up to now is 30.7 secs Computing kpt #: 282 total cpu time spent up to now is 30.7 secs Computing kpt #: 283 total cpu time spent up to now is 30.8 secs Computing kpt #: 284 total cpu time spent up to now is 30.9 secs Computing kpt #: 285 total cpu time spent up to now is 31.0 secs Computing kpt #: 286 total cpu time spent up to now is 31.0 secs Computing kpt #: 287 total cpu time spent up to now is 31.1 secs Computing kpt #: 288 total cpu time spent up to now is 31.2 secs Computing kpt #: 289 total cpu time spent up to now is 31.2 secs Computing kpt #: 290 total cpu time spent up to now is 31.3 secs Computing kpt #: 291 total cpu time spent up to now is 31.4 secs Computing kpt #: 292 total cpu time spent up to now is 31.4 secs Computing kpt #: 293 total cpu time spent up to now is 31.5 secs Computing kpt #: 294 total cpu time spent up to now is 31.6 secs Computing kpt #: 295 total cpu time spent up to now is 31.7 secs Computing kpt #: 296 total cpu time spent up to now is 31.7 secs Computing kpt #: 297 total cpu time spent up to now is 31.8 secs Computing kpt #: 298 total cpu time spent up to now is 31.9 secs Computing kpt #: 299 total cpu time spent up to now is 32.0 secs Computing kpt #: 300 total cpu time spent up to now is 32.1 secs Computing kpt #: 301 total cpu time spent up to now is 32.2 secs Computing kpt #: 302 total cpu time spent up to now is 32.2 secs Computing kpt #: 303 total cpu time spent up to now is 32.3 secs Computing kpt #: 304 total cpu time spent up to now is 32.4 secs Computing kpt #: 305 total cpu time spent up to now is 32.5 secs Computing kpt #: 306 total cpu time spent up to now is 32.5 secs Computing kpt #: 307 total cpu time spent up to now is 32.6 secs Computing kpt #: 308 total cpu time spent up to now is 32.7 secs Computing kpt #: 309 total cpu time spent up to now is 32.7 secs Computing kpt #: 310 total cpu time spent up to now is 32.8 secs Computing kpt #: 311 total cpu time spent up to now is 32.9 secs Computing kpt #: 312 total cpu time spent up to now is 32.9 secs Computing kpt #: 313 total cpu time spent up to now is 33.0 secs Computing kpt #: 314 total cpu time spent up to now is 33.1 secs Computing kpt #: 315 total cpu time spent up to now is 33.1 secs Computing kpt #: 316 total cpu time spent up to now is 33.2 secs Computing kpt #: 317 total cpu time spent up to now is 33.3 secs Computing kpt #: 318 total cpu time spent up to now is 33.3 secs Computing kpt #: 319 total cpu time spent up to now is 33.4 secs Computing kpt #: 320 total cpu time spent up to now is 33.5 secs Computing kpt #: 321 total cpu time spent up to now is 33.6 secs Computing kpt #: 322 total cpu time spent up to now is 33.6 secs Computing kpt #: 323 total cpu time spent up to now is 33.7 secs Computing kpt #: 324 total cpu time spent up to now is 33.8 secs Computing kpt #: 325 total cpu time spent up to now is 33.9 secs Computing kpt #: 326 total cpu time spent up to now is 33.9 secs Computing kpt #: 327 total cpu time spent up to now is 34.0 secs Computing kpt #: 328 total cpu time spent up to now is 34.1 secs Computing kpt #: 329 total cpu time spent up to now is 34.2 secs Computing kpt #: 330 total cpu time spent up to now is 34.3 secs Computing kpt #: 331 total cpu time spent up to now is 34.3 secs Computing kpt #: 332 total cpu time spent up to now is 34.4 secs Computing kpt #: 333 total cpu time spent up to now is 34.5 secs Computing kpt #: 334 total cpu time spent up to now is 34.6 secs Computing kpt #: 335 total cpu time spent up to now is 34.7 secs Computing kpt #: 336 total cpu time spent up to now is 34.8 secs Computing kpt #: 337 total cpu time spent up to now is 34.8 secs Computing kpt #: 338 total cpu time spent up to now is 34.9 secs Computing kpt #: 339 total cpu time spent up to now is 35.0 secs Computing kpt #: 340 total cpu time spent up to now is 35.1 secs Computing kpt #: 341 total cpu time spent up to now is 35.2 secs Computing kpt #: 342 total cpu time spent up to now is 35.3 secs Computing kpt #: 343 total cpu time spent up to now is 35.4 secs Computing kpt #: 344 total cpu time spent up to now is 35.5 secs Computing kpt #: 345 total cpu time spent up to now is 35.6 secs Computing kpt #: 346 total cpu time spent up to now is 35.7 secs Computing kpt #: 347 total cpu time spent up to now is 35.8 secs Computing kpt #: 348 total cpu time spent up to now is 35.8 secs Computing kpt #: 349 total cpu time spent up to now is 35.9 secs Computing kpt #: 350 total cpu time spent up to now is 36.0 secs Computing kpt #: 351 total cpu time spent up to now is 36.1 secs Computing kpt #: 352 total cpu time spent up to now is 36.2 secs Computing kpt #: 353 total cpu time spent up to now is 36.3 secs Computing kpt #: 354 total cpu time spent up to now is 36.4 secs Computing kpt #: 355 total cpu time spent up to now is 36.5 secs Computing kpt #: 356 total cpu time spent up to now is 36.6 secs Computing kpt #: 357 total cpu time spent up to now is 36.7 secs Computing kpt #: 358 total cpu time spent up to now is 36.8 secs Computing kpt #: 359 total cpu time spent up to now is 36.9 secs Computing kpt #: 360 total cpu time spent up to now is 37.0 secs Computing kpt #: 361 total cpu time spent up to now is 37.1 secs Computing kpt #: 362 total cpu time spent up to now is 37.2 secs Computing kpt #: 363 total cpu time spent up to now is 37.3 secs Computing kpt #: 364 total cpu time spent up to now is 37.4 secs Computing kpt #: 365 total cpu time spent up to now is 37.5 secs Computing kpt #: 366 total cpu time spent up to now is 37.6 secs Computing kpt #: 367 total cpu time spent up to now is 37.7 secs Computing kpt #: 368 total cpu time spent up to now is 37.8 secs Computing kpt #: 369 total cpu time spent up to now is 37.9 secs Computing kpt #: 370 total cpu time spent up to now is 38.0 secs Computing kpt #: 371 total cpu time spent up to now is 38.1 secs Computing kpt #: 372 total cpu time spent up to now is 38.2 secs Computing kpt #: 373 total cpu time spent up to now is 38.3 secs Computing kpt #: 374 total cpu time spent up to now is 38.4 secs Computing kpt #: 375 total cpu time spent up to now is 38.5 secs Computing kpt #: 376 total cpu time spent up to now is 38.6 secs Computing kpt #: 377 total cpu time spent up to now is 38.7 secs Computing kpt #: 378 total cpu time spent up to now is 38.9 secs Computing kpt #: 379 total cpu time spent up to now is 39.0 secs Computing kpt #: 380 total cpu time spent up to now is 39.1 secs Computing kpt #: 381 total cpu time spent up to now is 39.2 secs Computing kpt #: 382 total cpu time spent up to now is 39.3 secs Computing kpt #: 383 total cpu time spent up to now is 39.5 secs Computing kpt #: 384 total cpu time spent up to now is 39.6 secs Computing kpt #: 385 total cpu time spent up to now is 39.7 secs Computing kpt #: 386 total cpu time spent up to now is 39.8 secs Computing kpt #: 387 total cpu time spent up to now is 39.9 secs Computing kpt #: 388 total cpu time spent up to now is 40.1 secs Computing kpt #: 389 total cpu time spent up to now is 40.2 secs Computing kpt #: 390 total cpu time spent up to now is 40.3 secs Computing kpt #: 391 total cpu time spent up to now is 40.4 secs Computing kpt #: 392 total cpu time spent up to now is 40.5 secs Computing kpt #: 393 total cpu time spent up to now is 40.6 secs Computing kpt #: 394 total cpu time spent up to now is 40.7 secs Computing kpt #: 395 total cpu time spent up to now is 40.8 secs Computing kpt #: 396 total cpu time spent up to now is 40.9 secs Computing kpt #: 397 total cpu time spent up to now is 41.0 secs Computing kpt #: 398 total cpu time spent up to now is 41.0 secs Computing kpt #: 399 total cpu time spent up to now is 41.1 secs Computing kpt #: 400 total cpu time spent up to now is 41.2 secs Computing kpt #: 401 total cpu time spent up to now is 41.3 secs Computing kpt #: 402 total cpu time spent up to now is 41.4 secs Computing kpt #: 403 total cpu time spent up to now is 41.5 secs Computing kpt #: 404 total cpu time spent up to now is 41.5 secs Computing kpt #: 405 total cpu time spent up to now is 41.6 secs Computing kpt #: 406 total cpu time spent up to now is 41.7 secs Computing kpt #: 407 total cpu time spent up to now is 41.8 secs Computing kpt #: 408 total cpu time spent up to now is 41.9 secs Computing kpt #: 409 total cpu time spent up to now is 41.9 secs Computing kpt #: 410 total cpu time spent up to now is 42.0 secs Computing kpt #: 411 total cpu time spent up to now is 42.1 secs Computing kpt #: 412 total cpu time spent up to now is 42.2 secs Computing kpt #: 413 total cpu time spent up to now is 42.2 secs Computing kpt #: 414 total cpu time spent up to now is 42.3 secs Computing kpt #: 415 total cpu time spent up to now is 42.4 secs Computing kpt #: 416 total cpu time spent up to now is 42.5 secs Computing kpt #: 417 total cpu time spent up to now is 42.5 secs Computing kpt #: 418 total cpu time spent up to now is 42.6 secs Computing kpt #: 419 total cpu time spent up to now is 42.7 secs Computing kpt #: 420 total cpu time spent up to now is 42.8 secs Computing kpt #: 421 total cpu time spent up to now is 42.8 secs Computing kpt #: 422 total cpu time spent up to now is 42.9 secs Computing kpt #: 423 total cpu time spent up to now is 43.0 secs Computing kpt #: 424 total cpu time spent up to now is 43.1 secs Computing kpt #: 425 total cpu time spent up to now is 43.1 secs Computing kpt #: 426 total cpu time spent up to now is 43.2 secs Computing kpt #: 427 total cpu time spent up to now is 43.3 secs Computing kpt #: 428 total cpu time spent up to now is 43.3 secs Computing kpt #: 429 total cpu time spent up to now is 43.4 secs Computing kpt #: 430 total cpu time spent up to now is 43.5 secs Computing kpt #: 431 total cpu time spent up to now is 43.6 secs Computing kpt #: 432 total cpu time spent up to now is 43.6 secs Computing kpt #: 433 total cpu time spent up to now is 43.7 secs Computing kpt #: 434 total cpu time spent up to now is 43.8 secs Computing kpt #: 435 total cpu time spent up to now is 43.8 secs Computing kpt #: 436 total cpu time spent up to now is 43.9 secs Computing kpt #: 437 total cpu time spent up to now is 44.0 secs Computing kpt #: 438 total cpu time spent up to now is 44.1 secs Computing kpt #: 439 total cpu time spent up to now is 44.1 secs Computing kpt #: 440 total cpu time spent up to now is 44.2 secs Computing kpt #: 441 total cpu time spent up to now is 44.3 secs Computing kpt #: 442 total cpu time spent up to now is 44.3 secs Computing kpt #: 443 total cpu time spent up to now is 44.4 secs Computing kpt #: 444 total cpu time spent up to now is 44.5 secs Computing kpt #: 445 total cpu time spent up to now is 44.5 secs Computing kpt #: 446 total cpu time spent up to now is 44.6 secs Computing kpt #: 447 total cpu time spent up to now is 44.7 secs Computing kpt #: 448 total cpu time spent up to now is 44.8 secs Computing kpt #: 449 total cpu time spent up to now is 44.8 secs Computing kpt #: 450 total cpu time spent up to now is 44.9 secs Computing kpt #: 451 total cpu time spent up to now is 45.0 secs Computing kpt #: 452 total cpu time spent up to now is 45.1 secs Computing kpt #: 453 total cpu time spent up to now is 45.1 secs Computing kpt #: 454 total cpu time spent up to now is 45.2 secs Computing kpt #: 455 total cpu time spent up to now is 45.3 secs Computing kpt #: 456 total cpu time spent up to now is 45.4 secs Computing kpt #: 457 total cpu time spent up to now is 45.5 secs Computing kpt #: 458 total cpu time spent up to now is 45.5 secs Computing kpt #: 459 total cpu time spent up to now is 45.6 secs Computing kpt #: 460 total cpu time spent up to now is 45.7 secs Computing kpt #: 461 total cpu time spent up to now is 45.8 secs Computing kpt #: 462 total cpu time spent up to now is 45.9 secs Computing kpt #: 463 total cpu time spent up to now is 46.0 secs Computing kpt #: 464 total cpu time spent up to now is 46.0 secs Computing kpt #: 465 total cpu time spent up to now is 46.1 secs Computing kpt #: 466 total cpu time spent up to now is 46.2 secs Computing kpt #: 467 total cpu time spent up to now is 46.3 secs Computing kpt #: 468 total cpu time spent up to now is 46.4 secs Computing kpt #: 469 total cpu time spent up to now is 46.5 secs Computing kpt #: 470 total cpu time spent up to now is 46.6 secs Computing kpt #: 471 total cpu time spent up to now is 46.7 secs Computing kpt #: 472 total cpu time spent up to now is 46.8 secs Computing kpt #: 473 total cpu time spent up to now is 46.9 secs Computing kpt #: 474 total cpu time spent up to now is 47.0 secs Computing kpt #: 475 total cpu time spent up to now is 47.1 secs Computing kpt #: 476 total cpu time spent up to now is 47.2 secs Computing kpt #: 477 total cpu time spent up to now is 47.3 secs Computing kpt #: 478 total cpu time spent up to now is 47.5 secs Computing kpt #: 479 total cpu time spent up to now is 47.6 secs Computing kpt #: 480 total cpu time spent up to now is 47.7 secs Computing kpt #: 481 total cpu time spent up to now is 47.8 secs Computing kpt #: 482 total cpu time spent up to now is 47.9 secs Computing kpt #: 483 total cpu time spent up to now is 48.0 secs Computing kpt #: 484 total cpu time spent up to now is 48.1 secs Computing kpt #: 485 total cpu time spent up to now is 48.2 secs Computing kpt #: 486 total cpu time spent up to now is 48.3 secs Computing kpt #: 487 total cpu time spent up to now is 48.5 secs Computing kpt #: 488 total cpu time spent up to now is 48.6 secs Computing kpt #: 489 total cpu time spent up to now is 48.7 secs Computing kpt #: 490 total cpu time spent up to now is 48.8 secs Computing kpt #: 491 total cpu time spent up to now is 48.9 secs Computing kpt #: 492 total cpu time spent up to now is 49.0 secs Computing kpt #: 493 total cpu time spent up to now is 49.1 secs Computing kpt #: 494 total cpu time spent up to now is 49.2 secs Computing kpt #: 495 total cpu time spent up to now is 49.3 secs Computing kpt #: 496 total cpu time spent up to now is 49.4 secs Computing kpt #: 497 total cpu time spent up to now is 49.5 secs Computing kpt #: 498 total cpu time spent up to now is 49.6 secs Computing kpt #: 499 total cpu time spent up to now is 49.7 secs Computing kpt #: 500 total cpu time spent up to now is 49.8 secs ethr = 5.00E-08, avg # of iterations = 16.1 total cpu time spent up to now is 49.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 785 PWs) bands (ev): 2.7933 2.7933 7.0146 7.0146 9.1630 9.1630 9.1681 9.1681 9.3478 9.3478 9.3590 9.3590 9.5598 9.5598 9.7882 9.7882 9.8794 9.8794 10.5085 10.5085 10.6158 10.6158 10.6286 10.6286 15.4809 15.4809 32.1291 32.1291 k = 0.0071 0.0041-0.0000 ( 785 PWs) bands (ev): 2.7949 2.7949 7.0156 7.0156 9.1571 9.1571 9.1740 9.1740 9.3483 9.3483 9.3591 9.3591 9.5599 9.5599 9.7878 9.7878 9.8789 9.8789 10.4804 10.4804 10.5804 10.5804 10.6940 10.6940 15.4812 15.4812 32.1044 32.1044 k = 0.0143 0.0082-0.0000 ( 785 PWs) bands (ev): 2.7996 2.7996 7.0186 7.0186 9.1490 9.1490 9.1820 9.1820 9.3496 9.3496 9.3593 9.3593 9.5602 9.5602 9.7865 9.7865 9.8773 9.8773 10.4157 10.4157 10.5693 10.5693 10.7756 10.7756 15.4822 15.4822 32.0174 32.0174 k = 0.0214 0.0124-0.0000 ( 785 PWs) bands (ev): 2.8075 2.8075 7.0237 7.0237 9.1406 9.1406 9.1903 9.1903 9.3518 9.3518 9.3597 9.3597 9.5608 9.5608 9.7844 9.7844 9.8747 9.8747 10.3422 10.3422 10.5669 10.5669 10.8615 10.8615 15.4839 15.4839 31.8462 31.8462 k = 0.0286 0.0165-0.0000 ( 785 PWs) bands (ev): 2.8186 2.8186 7.0308 7.0308 9.1318 9.1318 9.1988 9.1988 9.3547 9.3547 9.3602 9.3602 9.5617 9.5617 9.7813 9.7813 9.8707 9.8707 10.2679 10.2679 10.5668 10.5668 10.9500 10.9500 15.4862 15.4862 31.6037 31.6037 k = 0.0357 0.0206-0.0000 ( 785 PWs) bands (ev): 2.8328 2.8328 7.0399 7.0399 9.1226 9.1226 9.2077 9.2077 9.3581 9.3581 9.3613 9.3613 9.5630 9.5630 9.7771 9.7771 9.8653 9.8653 10.1953 10.1953 10.5676 10.5676 11.0406 11.0406 15.4892 15.4892 31.3206 31.3206 k = 0.0429 0.0247-0.0000 ( 781 PWs) bands (ev): 2.8502 2.8502 7.0510 7.0510 9.1132 9.1132 9.2170 9.2170 9.3601 9.3601 9.3647 9.3647 9.5650 9.5650 9.7716 9.7716 9.8580 9.8580 10.1256 10.1256 10.5689 10.5689 11.1331 11.1331 15.4929 15.4929 31.0160 31.0160 k = 0.0500 0.0289-0.0000 ( 781 PWs) bands (ev): 2.8707 2.8707 7.0640 7.0640 9.1030 9.1030 9.2268 9.2268 9.3605 9.3605 9.3703 9.3703 9.5676 9.5676 9.7640 9.7640 9.8481 9.8481 10.0603 10.0603 10.5706 10.5706 11.2272 11.2272 15.4974 15.4974 30.6991 30.6991 k = 0.0571 0.0330-0.0000 ( 781 PWs) bands (ev): 2.8943 2.8943 7.0788 7.0788 9.0923 9.0923 9.2369 9.2369 9.3603 9.3603 9.3769 9.3769 9.5708 9.5708 9.7534 9.7534 9.8347 9.8347 10.0021 10.0021 10.5726 10.5726 11.3231 11.3231 15.5025 15.5025 30.3750 30.3750 k = 0.0643 0.0371-0.0000 ( 785 PWs) bands (ev): 2.9211 2.9211 7.0955 7.0955 9.0809 9.0809 9.2473 9.2473 9.3595 9.3595 9.3844 9.3844 9.5748 9.5748 9.7367 9.7367 9.8170 9.8170 9.9543 9.9543 10.5748 10.5748 11.4205 11.4205 15.5084 15.5084 30.0466 30.0466 k = 0.0714 0.0412-0.0000 ( 789 PWs) bands (ev): 2.9510 2.9510 7.1140 7.1140 9.0687 9.0687 9.2579 9.2579 9.3583 9.3583 9.3927 9.3927 9.5797 9.5797 9.7097 9.7097 9.7979 9.7979 9.9192 9.9192 10.5773 10.5773 11.5196 11.5196 15.5151 15.5151 29.7155 29.7155 k = 0.0786 0.0454-0.0000 ( 791 PWs) bands (ev): 2.9839 2.9839 7.1342 7.1342 9.0561 9.0561 9.2685 9.2685 9.3566 9.3566 9.4021 9.4021 9.5858 9.5858 9.6698 9.6698 9.7815 9.7815 9.8952 9.8952 10.5800 10.5800 11.6202 11.6202 15.5226 15.5226 29.3830 29.3830 k = 0.0857 0.0495-0.0000 ( 789 PWs) bands (ev): 3.0199 3.0199 7.1562 7.1562 9.0430 9.0430 9.2789 9.2789 9.3545 9.3545 9.4125 9.4125 9.5927 9.5927 9.6212 9.6212 9.7686 9.7686 9.8780 9.8780 10.5829 10.5829 11.7223 11.7223 15.5309 15.5309 29.0499 29.0499 k = 0.0929 0.0536-0.0000 ( 789 PWs) bands (ev): 3.0590 3.0590 7.1797 7.1797 9.0292 9.0292 9.2882 9.2882 9.3518 9.3518 9.4235 9.4235 9.5674 9.5674 9.6020 9.6020 9.7580 9.7580 9.8645 9.8645 10.5860 10.5860 11.8261 11.8261 15.5400 15.5400 28.7166 28.7166 k = 0.1000 0.0577-0.0000 ( 789 PWs) bands (ev): 3.1011 3.1011 7.2048 7.2048 9.0148 9.0148 9.2955 9.2955 9.3483 9.3483 9.4352 9.4352 9.5157 9.5157 9.6112 9.6112 9.7485 9.7485 9.8530 9.8530 10.5892 10.5892 11.9313 11.9313 15.5501 15.5501 28.3836 28.3836 k = 0.1071 0.0619-0.0000 ( 789 PWs) bands (ev): 3.1463 3.1463 7.2313 7.2313 8.9998 8.9998 9.2994 9.2994 9.3417 9.3417 9.4449 9.4449 9.4723 9.4723 9.6216 9.6216 9.7397 9.7397 9.8426 9.8426 10.5925 10.5925 12.0380 12.0380 15.5610 15.5610 28.0511 28.0511 k = 0.1143 0.0660-0.0000 ( 785 PWs) bands (ev): 3.1944 3.1944 7.2591 7.2591 8.9844 8.9844 9.2978 9.2978 9.3259 9.3259 9.4319 9.4319 9.4676 9.4676 9.6328 9.6328 9.7314 9.7314 9.8327 9.8327 10.5960 10.5960 12.1464 12.1464 15.5730 15.5730 27.7196 27.7196 k = 0.1214 0.0701-0.0000 ( 785 PWs) bands (ev): 3.2455 3.2455 7.2882 7.2882 8.9686 8.9686 9.2786 9.2786 9.3068 9.3068 9.4221 9.4221 9.4812 9.4812 9.6444 9.6444 9.7237 9.7237 9.8234 9.8234 10.5995 10.5995 12.2561 12.2561 15.5859 15.5859 27.3892 27.3892 k = 0.1286 0.0742-0.0000 ( 785 PWs) bands (ev): 3.2995 3.2995 7.3183 7.3183 8.9523 8.9523 9.2353 9.2353 9.2980 9.2980 9.4255 9.4255 9.4971 9.4971 9.6557 9.6557 9.7172 9.7172 9.8146 9.8146 10.6031 10.6031 12.3674 12.3674 15.5998 15.5998 27.0600 27.0600 k = 0.1357 0.0784-0.0000 ( 783 PWs) bands (ev): 3.3565 3.3565 7.3495 7.3495 8.9358 8.9358 9.1849 9.1849 9.2905 9.2905 9.4352 9.4352 9.5141 9.5141 9.6652 9.6652 9.7130 9.7130 9.8067 9.8067 10.6067 10.6067 12.4802 12.4802 15.6149 15.6149 26.7323 26.7323 k = 0.1429 0.0825-0.0000 ( 783 PWs) bands (ev): 3.4163 3.4163 7.3814 7.3814 8.9188 8.9188 9.1328 9.1328 9.2822 9.2822 9.4478 9.4478 9.5323 9.5323 9.6704 9.6704 9.7133 9.7133 9.8002 9.8002 10.6103 10.6103 12.5945 12.5945 15.6311 15.6311 26.4061 26.4061 k = 0.1500 0.0866-0.0000 ( 783 PWs) bands (ev): 3.4789 3.4789 7.4141 7.4141 8.9016 8.9016 9.0808 9.0808 9.2732 9.2732 9.4616 9.4616 9.5514 9.5514 9.6703 9.6703 9.7181 9.7181 9.7962 9.7962 10.6139 10.6139 12.7102 12.7102 15.6484 15.6484 26.0815 26.0815 k = 0.1571 0.0907-0.0000 ( 783 PWs) bands (ev): 3.5444 3.5444 7.4472 7.4472 8.8841 8.8841 9.0296 9.0296 9.2638 9.2638 9.4756 9.4756 9.5713 9.5713 9.6668 9.6668 9.7241 9.7241 9.7964 9.7964 10.6175 10.6175 12.8274 12.8274 15.6670 15.6670 25.7588 25.7588 k = 0.1643 0.0949-0.0000 ( 785 PWs) bands (ev): 3.6126 3.6126 7.4806 7.4806 8.8660 8.8660 8.9797 8.9797 9.2538 9.2538 9.4889 9.4889 9.5919 9.5919 9.6623 9.6623 9.7279 9.7279 9.8025 9.8025 10.6211 10.6211 12.9461 12.9461 15.6869 15.6869 25.4379 25.4379 k = 0.1714 0.0990-0.0000 ( 785 PWs) bands (ev): 3.6835 3.6835 7.5142 7.5142 8.8471 8.8471 8.9320 8.9320 9.2438 9.2438 9.5008 9.5008 9.6129 9.6129 9.6581 9.6581 9.7292 9.7292 9.8145 9.8145 10.6247 10.6247 13.0663 13.0663 15.7081 15.7081 25.1189 25.1189 k = 0.1786 0.1031-0.0000 ( 789 PWs) bands (ev): 3.7571 3.7571 7.5476 7.5476 8.8258 8.8258 8.8879 8.8879 9.2335 9.2335 9.5102 9.5102 9.6338 9.6338 9.6544 9.6544 9.7302 9.7302 9.8308 9.8308 10.6280 10.6280 13.1879 13.1879 15.7306 15.7306 24.8021 24.8021 k = 0.1857 0.1072-0.0000 ( 789 PWs) bands (ev): 3.8332 3.8332 7.5807 7.5807 8.7989 8.7989 8.8512 8.8512 9.2234 9.2234 9.5166 9.5166 9.6499 9.6499 9.6556 9.6556 9.7340 9.7340 9.8500 9.8500 10.6315 10.6315 13.3110 13.3110 15.7546 15.7546 24.4875 24.4875 k = 0.1929 0.1113-0.0000 ( 793 PWs) bands (ev): 3.9120 3.9120 7.6131 7.6131 8.7634 8.7634 8.8241 8.8241 9.2135 9.2135 9.5193 9.5193 9.6464 9.6464 9.6749 9.6749 9.7429 9.7429 9.8712 9.8712 10.6349 10.6349 13.4355 13.4355 15.7800 15.7800 24.1751 24.1751 k = 0.2000 0.1155-0.0000 ( 797 PWs) bands (ev): 3.9931 3.9931 7.6447 7.6447 8.7229 8.7229 8.8044 8.8044 9.2038 9.2038 9.5186 9.5186 9.6406 9.6406 9.6946 9.6946 9.7578 9.7578 9.8937 9.8937 10.6382 10.6382 13.5615 13.5615 15.8069 15.8069 23.8651 23.8651 k = 0.2071 0.1196-0.0000 ( 793 PWs) bands (ev): 4.0767 4.0767 7.6752 7.6752 8.6811 8.6811 8.7883 8.7883 9.1946 9.1946 9.5154 9.5154 9.6332 9.6332 9.7151 9.7151 9.7779 9.7779 9.9174 9.9174 10.6416 10.6416 13.6889 13.6889 15.8354 15.8354 23.5577 23.5577 k = 0.2143 0.1237-0.0000 ( 793 PWs) bands (ev): 4.1627 4.1627 7.7043 7.7043 8.6393 8.6393 8.7743 8.7743 9.1860 9.1860 9.5097 9.5097 9.6240 9.6240 9.7368 9.7368 9.8016 9.8016 9.9419 9.9419 10.6449 10.6449 13.8178 13.8178 15.8654 15.8654 23.2528 23.2528 k = 0.2214 0.1278-0.0000 ( 797 PWs) bands (ev): 4.2508 4.2508 7.7316 7.7316 8.5981 8.5981 8.7619 8.7619 9.1781 9.1781 9.5024 9.5024 9.6137 9.6137 9.7602 9.7602 9.8275 9.8275 9.9670 9.9670 10.6478 10.6478 13.9480 13.9480 15.8969 15.8969 22.9507 22.9507 k = 0.2286 0.1320-0.0000 ( 797 PWs) bands (ev): 4.3412 4.3412 7.7570 7.7570 8.5579 8.5579 8.7511 8.7511 9.1711 9.1711 9.4940 9.4940 9.6026 9.6026 9.7853 9.7853 9.8551 9.8551 9.9927 9.9927 10.6509 10.6509 14.0797 14.0797 15.9301 15.9301 22.6515 22.6515 k = 0.2357 0.1361-0.0000 ( 797 PWs) bands (ev): 4.4336 4.4336 7.7801 7.7801 8.5187 8.5187 8.7417 8.7417 9.1651 9.1651 9.4849 9.4849 9.5909 9.5909 9.8119 9.8119 9.8838 9.8838 10.0190 10.0190 10.6539 10.6539 14.2128 14.2128 15.9648 15.9648 22.3554 22.3554 k = 0.2429 0.1402-0.0000 ( 797 PWs) bands (ev): 4.5279 4.5279 7.8008 7.8008 8.4807 8.4807 8.7339 8.7339 9.1603 9.1603 9.4753 9.4753 9.5789 9.5789 9.8401 9.8401 9.9133 9.9133 10.0457 10.0457 10.6569 10.6569 14.3473 14.3473 16.0010 16.0010 22.0625 22.0625 k = 0.2500 0.1443-0.0000 ( 803 PWs) bands (ev): 4.6241 4.6241 7.8189 7.8189 8.4437 8.4437 8.7274 8.7274 9.1566 9.1566 9.4654 9.4654 9.5666 9.5666 9.8695 9.8695 9.9434 9.9434 10.0724 10.0724 10.6597 10.6597 14.4832 14.4832 16.0386 16.0386 21.7731 21.7731 k = 0.2571 0.1485-0.0000 ( 803 PWs) bands (ev): 4.7219 4.7219 7.8344 7.8344 8.4079 8.4079 8.7223 8.7223 9.1547 9.1547 9.4552 9.4552 9.5539 9.5539 9.9003 9.9003 9.9740 9.9740 10.0998 10.0998 10.6626 10.6626 14.6204 14.6204 16.0776 16.0776 21.4874 21.4874 k = 0.2643 0.1526-0.0000 ( 799 PWs) bands (ev): 4.8214 4.8214 7.8469 7.8469 8.3734 8.3734 8.7186 8.7186 9.1540 9.1540 9.4454 9.4454 9.5415 9.5415 9.9327 9.9327 10.0050 10.0050 10.1277 10.1277 10.6654 10.6654 14.7590 14.7590 16.1178 16.1178 21.2058 21.2058 k = 0.2714 0.1567-0.0000 ( 799 PWs) bands (ev): 4.9222 4.9222 7.8564 7.8564 8.3400 8.3400 8.7161 8.7161 9.1548 9.1548 9.4356 9.4356 9.5289 9.5289 9.9663 9.9663 10.0362 10.0362 10.1556 10.1556 10.6681 10.6681 14.8989 14.8989 16.1588 16.1588 20.9287 20.9287 k = 0.2786 0.1608-0.0000 ( 799 PWs) bands (ev): 5.0243 5.0243 7.8631 7.8631 8.3078 8.3078 8.7147 8.7147 9.1571 9.1571 9.4261 9.4261 9.5165 9.5165 10.0012 10.0012 10.0677 10.0677 10.1837 10.1837 10.6707 10.6707 15.0401 15.0401 16.2005 16.2005 20.6564 20.6564 k = 0.2857 0.1650-0.0000 ( 803 PWs) bands (ev): 5.1275 5.1275 7.8672 7.8672 8.2767 8.2767 8.7142 8.7142 9.1608 9.1608 9.4169 9.4169 9.5039 9.5039 10.0372 10.0372 10.0990 10.0990 10.2118 10.2118 10.6733 10.6733 15.1826 15.1826 16.2423 16.2423 20.3897 20.3897 k = 0.2929 0.1691-0.0000 ( 807 PWs) bands (ev): 5.2315 5.2315 7.8686 7.8686 8.2468 8.2468 8.7145 8.7145 9.1658 9.1658 9.4083 9.4083 9.4916 9.4916 10.0742 10.0742 10.1306 10.1306 10.2402 10.2402 10.6758 10.6758 15.3264 15.3264 16.2836 16.2836 20.1293 20.1293 k = 0.3000 0.1732-0.0000 ( 805 PWs) bands (ev): 5.3361 5.3361 7.8676 7.8676 8.2182 8.2182 8.7161 8.7161 9.1720 9.1720 9.4005 9.4005 9.4796 9.4796 10.1123 10.1123 10.1621 10.1621 10.2689 10.2689 10.6783 10.6783 15.4714 15.4714 16.3235 16.3235 19.8763 19.8763 k = 0.3071 0.1773-0.0000 ( 805 PWs) bands (ev): 5.4412 5.4412 7.8646 7.8646 8.1905 8.1905 8.7180 8.7180 9.1789 9.1789 9.3935 9.3935 9.4677 9.4677 10.1510 10.1510 10.1942 10.1942 10.2979 10.2979 10.6808 10.6808 15.6176 15.6176 16.3609 16.3609 19.6318 19.6318 k = 0.3143 0.1815-0.0000 ( 805 PWs) bands (ev): 5.5463 5.5463 7.8597 7.8597 8.1640 8.1640 8.7207 8.7207 9.1862 9.1862 9.3875 9.3875 9.4561 9.4561 10.1896 10.1896 10.2270 10.2270 10.3274 10.3274 10.6833 10.6833 15.7649 15.7649 16.3943 16.3943 19.3977 19.3977 k = 0.3214 0.1856-0.0000 ( 805 PWs) bands (ev): 5.6514 5.6514 7.8532 7.8532 8.1387 8.1387 8.7240 8.7240 9.1935 9.1935 9.3828 9.3828 9.4448 9.4448 10.2272 10.2272 10.2610 10.2610 10.3577 10.3577 10.6858 10.6858 15.9133 15.9133 16.4213 16.4213 19.1761 19.1761 k = 0.3286 0.1897-0.0000 ( 805 PWs) bands (ev): 5.7560 5.7560 7.8453 7.8453 8.1144 8.1144 8.7282 8.7282 9.2004 9.2004 9.3796 9.3796 9.4340 9.4340 10.2624 10.2624 10.2970 10.2970 10.3894 10.3894 10.6885 10.6885 16.0627 16.0627 16.4394 16.4394 18.9702 18.9702 k = 0.3357 0.1938-0.0000 ( 805 PWs) bands (ev): 5.8599 5.8599 7.8361 7.8361 8.0912 8.0912 8.7332 8.7332 9.2062 9.2062 9.3778 9.3778 9.4239 9.4239 10.2948 10.2948 10.3342 10.3342 10.4232 10.4232 10.6913 10.6913 16.2127 16.2127 16.4451 16.4451 18.7835 18.7835 k = 0.3429 0.1979-0.0000 ( 805 PWs) bands (ev): 5.9626 5.9626 7.8259 7.8259 8.0692 8.0692 8.7392 8.7392 9.2107 9.2107 9.3774 9.3774 9.4149 9.4149 10.3250 10.3250 10.3709 10.3709 10.4605 10.4605 10.6945 10.6945 16.3614 16.3614 16.4362 16.4362 18.6204 18.6204 k = 0.3500 0.2021-0.0000 ( 805 PWs) bands (ev): 6.0639 6.0639 7.8149 7.8149 8.0482 8.0482 8.7462 8.7462 9.2137 9.2137 9.3772 9.3772 9.4081 9.4081 10.3534 10.3534 10.4055 10.4055 10.5021 10.5021 10.6983 10.6983 16.3968 16.3968 16.5200 16.5201 18.4855 18.4855 k = 0.3571 0.2062-0.0000 ( 805 PWs) bands (ev): 6.1633 6.1633 7.8033 7.8033 8.0282 8.0282 8.7545 8.7545 9.2150 9.2150 9.3752 9.3752 9.4054 9.4054 10.3805 10.3805 10.4370 10.4370 10.5477 10.5477 10.7032 10.7032 16.3401 16.3401 16.6716 16.6716 18.3826 18.3826 k = 0.3643 0.2103-0.0000 ( 805 PWs) bands (ev): 6.2604 6.2604 7.7911 7.7911 8.0093 8.0093 8.7640 8.7640 9.2148 9.2148 9.3701 9.3701 9.4078 9.4078 10.4063 10.4063 10.4656 10.4656 10.5957 10.5957 10.7109 10.7109 16.2555 16.2555 16.8248 16.8248 18.3134 18.3134 k = 0.3714 0.2144-0.0000 ( 805 PWs) bands (ev): 6.3549 6.3549 7.7785 7.7785 7.9915 7.9915 8.7749 8.7749 9.2133 9.2133 9.3631 9.3631 9.4138 9.4138 10.4310 10.4310 10.4919 10.4919 10.6407 10.6407 10.7261 10.7261 16.1445 16.1445 16.9787 16.9787 18.2773 18.2773 k = 0.3786 0.2186-0.0000 ( 805 PWs) bands (ev): 6.4463 6.4463 7.7656 7.7656 7.9747 7.9747 8.7872 8.7872 9.2108 9.2108 9.3554 9.3554 9.4218 9.4218 10.4544 10.4544 10.5160 10.5160 10.6718 10.6718 10.7595 10.7595 16.0106 16.0106 17.1330 17.1330 18.2711 18.2711 k = 0.3857 0.2227-0.0000 ( 803 PWs) bands (ev): 6.5342 6.5342 7.7526 7.7526 7.9590 7.9590 8.8011 8.8011 9.2077 9.2077 9.3475 9.3475 9.4309 9.4309 10.4767 10.4767 10.5384 10.5384 10.6871 10.6871 10.8127 10.8127 15.8582 15.8582 17.2873 17.2873 18.2904 18.2904 k = 0.3929 0.2268-0.0000 ( 803 PWs) bands (ev): 6.6184 6.6184 7.7394 7.7394 7.9443 7.9443 8.8164 8.8164 9.2040 9.2040 9.3398 9.3398 9.4403 9.4403 10.4978 10.4978 10.5590 10.5590 10.6957 10.6957 10.8768 10.8768 15.6920 15.6920 17.4414 17.4414 18.3305 18.3305 k = 0.4000 0.2309-0.0000 ( 801 PWs) bands (ev): 6.6984 6.6984 7.7262 7.7262 7.9305 7.9305 8.8331 8.8331 9.2000 9.2000 9.3324 9.3324 9.4498 9.4498 10.5177 10.5177 10.5777 10.5777 10.7021 10.7021 10.9473 10.9473 15.5161 15.5161 17.5950 17.5950 18.3872 18.3872 k = 0.4071 0.2351-0.0000 ( 797 PWs) bands (ev): 6.7739 6.7739 7.7130 7.7130 7.9180 7.9180 8.8510 8.8510 9.1959 9.1959 9.3253 9.3253 9.4590 9.4590 10.5364 10.5364 10.5947 10.5947 10.7082 10.7082 11.0226 11.0226 15.3342 15.3342 17.7476 17.7476 18.4569 18.4569 k = 0.4143 0.2392-0.0000 ( 797 PWs) bands (ev): 6.8447 6.8447 7.6998 7.6998 7.9062 7.9062 8.8698 8.8698 9.1918 9.1918 9.3186 9.3186 9.4678 9.4678 10.5538 10.5538 10.6095 10.6095 10.7142 10.7142 11.1022 11.1022 15.1490 15.1490 17.8988 17.8988 18.5366 18.5366 k = 0.4214 0.2433-0.0000 ( 799 PWs) bands (ev): 6.9105 6.9105 7.6869 7.6869 7.8954 7.8954 8.8894 8.8894 9.1877 9.1877 9.3123 9.3123 9.4759 9.4759 10.5699 10.5699 10.6222 10.6222 10.7207 10.7207 11.1856 11.1856 14.9629 14.9629 18.0480 18.0480 18.6238 18.6238 k = 0.4286 0.2474-0.0000 ( 802 PWs) bands (ev): 6.9712 6.9712 7.6740 7.6740 7.8855 7.8855 8.9095 8.9095 9.1836 9.1836 9.3063 9.3063 9.4833 9.4833 10.5846 10.5846 10.6326 10.6326 10.7276 10.7276 11.2729 11.2729 14.7778 14.7778 18.1943 18.1943 18.7164 18.7164 k = 0.4357 0.2516-0.0000 ( 802 PWs) bands (ev): 7.0268 7.0268 7.6613 7.6613 7.8766 7.8766 8.9296 8.9296 9.1799 9.1799 9.3010 9.3010 9.4900 9.4900 10.5980 10.5980 10.6412 10.6412 10.7349 10.7349 11.3635 11.3635 14.5956 14.5956 18.3367 18.3367 18.8123 18.8123 k = 0.4429 0.2557-0.0000 ( 804 PWs) bands (ev): 7.0770 7.0770 7.6489 7.6489 7.8685 7.8685 8.9493 8.9493 9.1765 9.1765 9.2962 9.2962 9.4958 9.4958 10.6101 10.6101 10.6480 10.6480 10.7424 10.7424 11.4568 11.4568 14.4179 14.4179 18.4741 18.4741 18.9095 18.9095 k = 0.4500 0.2598-0.0000 ( 804 PWs) bands (ev): 7.1221 7.1221 7.6369 7.6369 7.8615 7.8615 8.9682 8.9682 9.1734 9.1734 9.2919 9.2919 9.5009 9.5009 10.6209 10.6209 10.6532 10.6532 10.7498 10.7498 11.5518 11.5518 14.2466 14.2466 18.6049 18.6049 19.0058 19.0058 k = 0.4571 0.2639-0.0000 ( 812 PWs) bands (ev): 7.1618 7.1618 7.6253 7.6253 7.8552 7.8552 8.9857 8.9857 9.1705 9.1705 9.2880 9.2880 9.5051 9.5051 10.6301 10.6301 10.6571 10.6571 10.7567 10.7567 11.6472 11.6472 14.0837 14.0837 18.7271 18.7271 19.0990 19.0990 k = 0.4643 0.2681-0.0000 ( 810 PWs) bands (ev): 7.1961 7.1961 7.6147 7.6147 7.8503 7.8503 9.0016 9.0016 9.1681 9.1681 9.2849 9.2849 9.5086 9.5086 10.6381 10.6381 10.6601 10.6601 10.7630 10.7630 11.7409 11.7409 13.9321 13.9321 18.8385 18.8385 19.1863 19.1863 k = 0.4714 0.2722-0.0000 ( 810 PWs) bands (ev): 7.2249 7.2249 7.6050 7.6050 7.8462 7.8462 9.0154 9.0154 9.1661 9.1661 9.2822 9.2822 9.5113 9.5113 10.6448 10.6448 10.6623 10.6623 10.7684 10.7684 11.8298 11.8298 13.7952 13.7952 18.9362 18.9362 19.2647 19.2647 k = 0.4786 0.2763-0.0000 ( 810 PWs) bands (ev): 7.2478 7.2478 7.5968 7.5968 7.8429 7.8429 9.0265 9.0265 9.1644 9.1644 9.2801 9.2801 9.5134 9.5134 10.6501 10.6501 10.6637 10.6637 10.7728 10.7728 11.9096 11.9096 13.6778 13.6778 19.0170 19.0170 19.3309 19.3309 k = 0.4857 0.2804-0.0000 ( 806 PWs) bands (ev): 7.2646 7.2646 7.5906 7.5906 7.8412 7.8412 9.0348 9.0348 9.1632 9.1632 9.2786 9.2786 9.5148 9.5148 10.6540 10.6540 10.6646 10.6646 10.7760 10.7760 11.9743 11.9743 13.5860 13.5860 19.0779 19.0779 19.3814 19.3814 k = 0.4929 0.2846-0.0000 ( 802 PWs) bands (ev): 7.2750 7.2750 7.5865 7.5865 7.8399 7.8399 9.0398 9.0398 9.1626 9.1626 9.2778 9.2778 9.5157 9.5157 10.6566 10.6566 10.6650 10.6650 10.7780 10.7780 12.0172 12.0172 13.5268 13.5268 19.1158 19.1158 19.4132 19.4132 k = 0.5000 0.2887-0.0000 ( 802 PWs) bands (ev): 7.2784 7.2784 7.5851 7.5851 7.8394 7.8394 9.0415 9.0415 9.1624 9.1624 9.2775 9.2775 9.5159 9.5159 10.6575 10.6575 10.6651 10.6651 10.7786 10.7786 12.0323 12.0323 13.5062 13.5062 19.1286 19.1286 19.4240 19.4240 k = 0.5000 0.2887-0.0000 ( 802 PWs) bands (ev): 7.2784 7.2784 7.5851 7.5851 7.8394 7.8394 9.0415 9.0415 9.1624 9.1624 9.2775 9.2775 9.5159 9.5159 10.6575 10.6575 10.6651 10.6651 10.7786 10.7786 12.0323 12.0323 13.5062 13.5062 19.1286 19.1286 19.4240 19.4240 k = 0.4958 0.2959-0.0000 ( 802 PWs) bands (ev): 7.2794 7.2794 7.5859 7.5859 7.8397 7.8397 9.0402 9.0402 9.1622 9.1622 9.2773 9.2773 9.5160 9.5160 10.6575 10.6575 10.6647 10.6647 10.7779 10.7779 12.0346 12.0346 13.5076 13.5076 19.1307 19.1307 19.4258 19.4258 k = 0.4917 0.3031-0.0000 ( 802 PWs) bands (ev): 7.2823 7.2823 7.5883 7.5883 7.8406 7.8406 9.0361 9.0361 9.1615 9.1615 9.2768 9.2768 9.5163 9.5163 10.6573 10.6573 10.6636 10.6636 10.7758 10.7758 12.0416 12.0416 13.5116 13.5116 19.1370 19.1370 19.4310 19.4310 k = 0.4875 0.3103-0.0000 ( 804 PWs) bands (ev): 7.2871 7.2871 7.5921 7.5921 7.8420 7.8420 9.0294 9.0294 9.1605 9.1605 9.2759 9.2759 9.5166 9.5166 10.6570 10.6570 10.6618 10.6618 10.7722 10.7722 12.0533 12.0533 13.5183 13.5183 19.1475 19.1475 19.4397 19.4397 k = 0.4833 0.3175-0.0000 ( 808 PWs) bands (ev): 7.2938 7.2938 7.5976 7.5976 7.8438 7.8438 9.0202 9.0202 9.1589 9.1589 9.2744 9.2744 9.5173 9.5173 10.6563 10.6563 10.6594 10.6594 10.7673 10.7673 12.0696 12.0696 13.5276 13.5276 19.1622 19.1622 19.4518 19.4518 k = 0.4792 0.3248-0.0000 ( 806 PWs) bands (ev): 7.3026 7.3026 7.6043 7.6043 7.8464 7.8464 9.0086 9.0086 9.1570 9.1570 9.2727 9.2727 9.5183 9.5183 10.6545 10.6545 10.6576 10.6576 10.7614 10.7614 12.0904 12.0904 13.5395 13.5395 19.1810 19.1810 19.4674 19.4674 k = 0.4750 0.3320-0.0000 ( 806 PWs) bands (ev): 7.3131 7.3131 7.6128 7.6128 7.8494 7.8494 8.9947 8.9947 9.1546 9.1546 9.2707 9.2707 9.5193 9.5193 10.6506 10.6506 10.6564 10.6564 10.7543 10.7543 12.1157 12.1157 13.5540 13.5540 19.2040 19.2040 19.4864 19.4864 k = 0.4708 0.3392-0.0000 ( 806 PWs) bands (ev): 7.3255 7.3255 7.6228 7.6228 7.8530 7.8530 8.9787 8.9787 9.1518 9.1518 9.2683 9.2683 9.5206 9.5206 10.6457 10.6457 10.6552 10.6552 10.7464 10.7464 12.1454 12.1454 13.5708 13.5708 19.2311 19.2311 19.5089 19.5089 k = 0.4667 0.3464-0.0000 ( 810 PWs) bands (ev): 7.3396 7.3396 7.6336 7.6336 7.8570 7.8570 8.9607 8.9607 9.1484 9.1484 9.2655 9.2655 9.5221 9.5221 10.6398 10.6398 10.6536 10.6536 10.7377 10.7377 12.1794 12.1794 13.5901 13.5901 19.2622 19.2622 19.5349 19.5349 k = 0.4625 0.3536-0.0000 ( 808 PWs) bands (ev): 7.3556 7.3556 7.6465 7.6465 7.8610 7.8610 8.9411 8.9411 9.1447 9.1447 9.2625 9.2625 9.5241 9.5241 10.6332 10.6332 10.6516 10.6516 10.7287 10.7287 12.2175 12.2175 13.6116 13.6116 19.2973 19.2973 19.5643 19.5643 k = 0.4583 0.3608-0.0000 ( 808 PWs) bands (ev): 7.3731 7.3731 7.6606 7.6606 7.8660 7.8660 8.9198 8.9198 9.1404 9.1404 9.2590 9.2590 9.5262 9.5262 10.6256 10.6256 10.6489 10.6489 10.7196 10.7196 12.2598 12.2598 13.6353 13.6353 19.3364 19.3364 19.5971 19.5971 k = 0.4542 0.3681-0.0000 ( 808 PWs) bands (ev): 7.3922 7.3922 7.6761 7.6761 7.8715 7.8715 8.8972 8.8972 9.1356 9.1356 9.2552 9.2552 9.5285 9.5285 10.6169 10.6169 10.6454 10.6454 10.7106 10.7106 12.3060 12.3060 13.6612 13.6612 19.3794 19.3794 19.6333 19.6333 k = 0.4500 0.3753-0.0000 ( 808 PWs) bands (ev): 7.4127 7.4127 7.6927 7.6927 7.8774 7.8774 8.8734 8.8734 9.1304 9.1304 9.2511 9.2511 9.5311 9.5311 10.6073 10.6073 10.6412 10.6412 10.7020 10.7020 12.3560 12.3560 13.6890 13.6890 19.4262 19.4262 19.6729 19.6729 k = 0.4458 0.3825-0.0000 ( 804 PWs) bands (ev): 7.4348 7.4348 7.7106 7.7106 7.8837 7.8837 8.8486 8.8486 9.1248 9.1248 9.2468 9.2468 9.5344 9.5344 10.5966 10.5966 10.6361 10.6361 10.6941 10.6941 12.4097 12.4097 13.7188 13.7188 19.4769 19.4769 19.7160 19.7160 k = 0.4417 0.3897-0.0000 ( 803 PWs) bands (ev): 7.4580 7.4580 7.7297 7.7297 7.8903 7.8903 8.8229 8.8229 9.1187 9.1187 9.2421 9.2421 9.5376 9.5376 10.5850 10.5850 10.6303 10.6303 10.6867 10.6867 12.4670 12.4670 13.7505 13.7505 19.5312 19.5312 19.7623 19.7623 k = 0.4375 0.3969-0.0000 ( 803 PWs) bands (ev): 7.4825 7.4825 7.7496 7.7496 7.8973 7.8973 8.7965 8.7965 9.1123 9.1123 9.2372 9.2372 9.5412 9.5412 10.5725 10.5725 10.6239 10.6239 10.6800 10.6800 12.5277 12.5277 13.7839 13.7839 19.5891 19.5891 19.8120 19.8120 k = 0.4333 0.4041-0.0000 ( 803 PWs) bands (ev): 7.5081 7.5081 7.7704 7.7704 7.9044 7.9044 8.7695 8.7695 9.1057 9.1057 9.2322 9.2322 9.5452 9.5452 10.5590 10.5590 10.6170 10.6170 10.6737 10.6737 12.5917 12.5917 13.8191 13.8191 19.6504 19.6504 19.8650 19.8650 k = 0.4292 0.4114-0.0000 ( 803 PWs) bands (ev): 7.5346 7.5346 7.7920 7.7920 7.9119 7.9119 8.7422 8.7422 9.0987 9.0987 9.2267 9.2267 9.5495 9.5495 10.5451 10.5451 10.6099 10.6099 10.6678 10.6678 12.6590 12.6590 13.8560 13.8560 19.7150 19.7150 19.9212 19.9212 k = 0.4250 0.4186-0.0000 ( 803 PWs) bands (ev): 7.5619 7.5619 7.8143 7.8143 7.9196 7.9196 8.7145 8.7145 9.0915 9.0915 9.2209 9.2209 9.5542 9.5542 10.5309 10.5309 10.6027 10.6027 10.6620 10.6620 12.7294 12.7294 13.8945 13.8945 19.7823 19.7823 19.9805 19.9805 k = 0.4208 0.4258-0.0000 ( 801 PWs) bands (ev): 7.5899 7.5899 7.8375 7.8375 7.9274 7.9274 8.6867 8.6867 9.0839 9.0839 9.2149 9.2149 9.5592 9.5592 10.5167 10.5167 10.5957 10.5957 10.6562 10.6562 12.8028 12.8028 13.9346 13.9346 19.8502 19.8502 20.0421 20.0421 k = 0.4167 0.4330-0.0000 ( 801 PWs) bands (ev): 7.6185 7.6185 7.8609 7.8609 7.9354 7.9354 8.6589 8.6589 9.0765 9.0765 9.2087 9.2087 9.5647 9.5647 10.5023 10.5023 10.5885 10.5885 10.6503 10.6503 12.8791 12.8791 13.9763 13.9763 19.8934 19.8934 20.0217 20.0217 k = 0.4125 0.4402-0.0000 ( 801 PWs) bands (ev): 7.6474 7.6474 7.8847 7.8847 7.9434 7.9434 8.6313 8.6313 9.0690 9.0690 9.2022 9.2022 9.5704 9.5704 10.4884 10.4884 10.5815 10.5815 10.6443 10.6443 12.9583 12.9583 14.0195 14.0195 19.7065 19.7065 20.0253 20.0253 k = 0.4083 0.4474-0.0000 ( 801 PWs) bands (ev): 7.6767 7.6767 7.9086 7.9086 7.9514 7.9514 8.6038 8.6038 9.0616 9.0616 9.1955 9.1955 9.5766 9.5766 10.4747 10.4747 10.5747 10.5747 10.6380 10.6380 13.0402 13.0402 14.0644 14.0644 19.4486 19.4486 20.1006 20.1006 k = 0.4042 0.4547-0.0000 ( 801 PWs) bands (ev): 7.7061 7.7061 7.9326 7.9326 7.9594 7.9594 8.5767 8.5767 9.0543 9.0543 9.1887 9.1887 9.5833 9.5833 10.4615 10.4615 10.5682 10.5682 10.6315 10.6315 13.1248 13.1248 14.1108 14.1108 19.1870 19.1870 20.1828 20.1828 k = 0.4000 0.4619-0.0000 ( 805 PWs) bands (ev): 7.7354 7.7354 7.9563 7.9563 7.9673 7.9673 8.5499 8.5499 9.0472 9.0472 9.1815 9.1815 9.5902 9.5902 10.4488 10.4488 10.5618 10.5618 10.6246 10.6246 13.2120 13.2120 14.1588 14.1588 18.9255 18.9255 20.2687 20.2687 k = 0.3958 0.4691-0.0000 ( 805 PWs) bands (ev): 7.7645 7.7645 7.9737 7.9737 7.9813 7.9813 8.5238 8.5238 9.0405 9.0405 9.1743 9.1743 9.5975 9.5975 10.4372 10.4372 10.5559 10.5559 10.6175 10.6175 13.3018 13.3018 14.2085 14.2085 18.6651 18.6651 20.3572 20.3572 k = 0.3917 0.4763-0.0000 ( 801 PWs) bands (ev): 7.7934 7.7934 7.9818 7.9818 8.0042 8.0042 8.4983 8.4983 9.0342 9.0342 9.1670 9.1670 9.6051 9.6051 10.4266 10.4266 10.5503 10.5503 10.6102 10.6102 13.3942 13.3942 14.2599 14.2599 18.4062 18.4062 20.4478 20.4478 k = 0.3875 0.4835-0.0000 ( 801 PWs) bands (ev): 7.8215 7.8215 7.9890 7.9890 8.0268 8.0268 8.4736 8.4736 9.0281 9.0281 9.1596 9.1596 9.6127 9.6127 10.4172 10.4172 10.5449 10.5449 10.6027 10.6027 13.4890 13.4890 14.3130 14.3130 18.1494 18.1494 20.5400 20.5400 k = 0.3833 0.4907-0.0000 ( 801 PWs) bands (ev): 7.8491 7.8491 7.9958 7.9958 8.0486 8.0486 8.4498 8.4498 9.0227 9.0227 9.1521 9.1521 9.6206 9.6206 10.4089 10.4089 10.5400 10.5400 10.5948 10.5948 13.5861 13.5861 14.3679 14.3679 17.8947 17.8947 20.6330 20.6330 k = 0.3792 0.4980-0.0000 ( 801 PWs) bands (ev): 7.8760 7.8760 8.0022 8.0022 8.0692 8.0692 8.4272 8.4272 9.0179 9.0179 9.1447 9.1447 9.6286 9.6286 10.4019 10.4019 10.5353 10.5353 10.5867 10.5867 13.6857 13.6857 14.4247 14.4247 17.6425 17.6425 20.7263 20.7263 k = 0.3750 0.5052-0.0000 ( 801 PWs) bands (ev): 7.9018 7.9018 8.0081 8.0081 8.0884 8.0884 8.4058 8.4058 9.0137 9.0137 9.1372 9.1372 9.6365 9.6365 10.3964 10.3964 10.5310 10.5310 10.5785 10.5785 13.7876 13.7876 14.4834 14.4834 17.3930 17.3930 20.8191 20.8191 k = 0.3708 0.5124-0.0000 ( 801 PWs) bands (ev): 7.9267 7.9267 8.0134 8.0134 8.1056 8.1056 8.3860 8.3860 9.0103 9.0103 9.1298 9.1298 9.6442 9.6442 10.3924 10.3924 10.5269 10.5269 10.5701 10.5701 13.8918 13.8918 14.5443 14.5443 17.1464 17.1464 20.9107 20.9107 k = 0.3667 0.5196-0.0000 ( 801 PWs) bands (ev): 7.9504 7.9504 8.0183 8.0183 8.1206 8.1206 8.3682 8.3682 9.0075 9.0075 9.1226 9.1226 9.6516 9.6516 10.3898 10.3898 10.5231 10.5231 10.5618 10.5618 13.9981 13.9981 14.6072 14.6072 16.9029 16.9029 21.0003 21.0003 k = 0.3625 0.5268-0.0000 ( 805 PWs) bands (ev): 7.9728 7.9728 8.0226 8.0226 8.1326 8.1326 8.3527 8.3527 9.0052 9.0052 9.1155 9.1155 9.6586 9.6586 10.3888 10.3888 10.5193 10.5193 10.5536 10.5536 14.1065 14.1065 14.6724 14.6724 16.6629 16.6629 21.0870 21.0870 k = 0.3583 0.5340-0.0000 ( 805 PWs) bands (ev): 7.9939 7.9939 8.0264 8.0264 8.1412 8.1412 8.3401 8.3401 9.0038 9.0038 9.1089 9.1089 9.6650 9.6650 10.3894 10.3894 10.5154 10.5154 10.5459 10.5459 14.2169 14.2169 14.7400 14.7400 16.4266 16.4266 21.1699 21.1699 k = 0.3542 0.5413-0.0000 ( 801 PWs) bands (ev): 8.0133 8.0133 8.0299 8.0299 8.1460 8.1460 8.3309 8.3309 9.0032 9.0032 9.1028 9.1028 9.6707 9.6707 10.3913 10.3913 10.5112 10.5112 10.5391 10.5391 14.3289 14.3289 14.8100 14.8100 16.1944 16.1944 21.2474 21.2474 k = 0.3500 0.5485-0.0000 ( 801 PWs) bands (ev): 8.0288 8.0288 8.0349 8.0349 8.1467 8.1467 8.3248 8.3248 9.0031 9.0031 9.0973 9.0973 9.6755 9.6755 10.3945 10.3945 10.5064 10.5064 10.5335 10.5335 14.4420 14.4420 14.8826 14.8826 15.9672 15.9672 21.3177 21.3177 k = 0.3458 0.5557-0.0000 ( 801 PWs) bands (ev): 8.0331 8.0331 8.0487 8.0487 8.1440 8.1440 8.3215 8.3215 9.0033 9.0033 9.0925 9.0925 9.6794 9.6794 10.3984 10.3984 10.5011 10.5011 10.5295 10.5295 14.5551 14.5551 14.9579 14.9579 15.7460 15.7460 21.3782 21.3782 k = 0.3417 0.5629-0.0000 ( 801 PWs) bands (ev): 8.0347 8.0347 8.0620 8.0620 8.1391 8.1391 8.3202 8.3202 9.0038 9.0038 9.0888 9.0888 9.6823 9.6823 10.4025 10.4025 10.4958 10.4958 10.5269 10.5269 14.6653 14.6653 15.0359 15.0359 15.5341 15.5341 21.4260 21.4260 k = 0.3375 0.5701-0.0000 ( 801 PWs) bands (ev): 8.0356 8.0356 8.0718 8.0718 8.1339 8.1339 8.3201 8.3201 9.0043 9.0043 9.0863 9.0863 9.6841 9.6841 10.4059 10.4059 10.4917 10.4917 10.5254 10.5254 14.7637 14.7637 15.1167 15.1167 15.3404 15.3404 21.4574 21.4574 k = 0.3333 0.5774-0.0000 ( 801 PWs) bands (ev): 8.0358 8.0358 8.0756 8.0756 8.1315 8.1315 8.3202 8.3202 9.0045 9.0045 9.0855 9.0855 9.6846 9.6846 10.4074 10.4074 10.4901 10.4901 10.5250 10.5250 14.8148 14.8148 15.1985 15.1985 15.2026 15.2026 21.4686 21.4686 k = 0.3333 0.5774-0.0000 ( 801 PWs) bands (ev): 8.0358 8.0358 8.0756 8.0756 8.1315 8.1315 8.3202 8.3202 9.0045 9.0045 9.0855 9.0855 9.6846 9.6846 10.4074 10.4074 10.4901 10.4901 10.5250 10.5250 14.8148 14.8148 15.1985 15.1985 15.2026 15.2026 21.4686 21.4686 k = 0.3292 0.5701-0.0000 ( 801 PWs) bands (ev): 8.0356 8.0356 8.0718 8.0718 8.1341 8.1341 8.3199 8.3199 9.0043 9.0043 9.0864 9.0864 9.6841 9.6841 10.4057 10.4057 10.4919 10.4919 10.5254 10.5254 14.7433 14.7433 15.1902 15.1902 15.2874 15.2874 21.4564 21.4564 k = 0.3250 0.5629-0.0000 ( 801 PWs) bands (ev): 8.0348 8.0348 8.0619 8.0619 8.1404 8.1404 8.3186 8.3186 9.0034 9.0034 9.0892 9.0892 9.6823 9.6823 10.4007 10.4007 10.4971 10.4971 10.5269 10.5269 14.5823 14.5823 15.2763 15.2763 15.3773 15.3773 21.4186 21.4186 k = 0.3208 0.5557-0.0000 ( 801 PWs) bands (ev): 8.0335 8.0335 8.0486 8.0486 8.1483 8.1483 8.3161 8.3161 9.0019 9.0019 9.0940 9.0940 9.6793 9.6793 10.3929 10.3929 10.5044 10.5044 10.5299 10.5299 14.3979 14.3979 15.3928 15.3928 15.4705 15.4705 21.3549 21.3549 k = 0.3167 0.5485-0.0000 ( 805 PWs) bands (ev): 8.0291 8.0291 8.0354 8.0354 8.1564 8.1564 8.3119 8.3119 8.9998 8.9998 9.1004 9.1004 9.6751 9.6751 10.3830 10.3830 10.5117 10.5117 10.5352 10.5352 14.2092 14.2092 15.5206 15.5206 15.5670 15.5670 21.2669 21.2669 k = 0.3125 0.5413-0.0000 ( 805 PWs) bands (ev): 8.0132 8.0132 8.0317 8.0317 8.1643 8.1643 8.3064 8.3064 8.9975 8.9975 9.1085 9.1085 9.6699 9.6699 10.3716 10.3716 10.5175 10.5175 10.5440 10.5440 14.0219 14.0219 15.6525 15.6525 15.6689 15.6689 21.1575 21.1575 k = 0.3083 0.5340-0.0000 ( 805 PWs) bands (ev): 7.9934 7.9934 8.0297 8.0297 8.1717 8.1717 8.2995 8.2995 8.9950 8.9950 9.1179 9.1179 9.6635 9.6635 10.3592 10.3592 10.5217 10.5217 10.5554 10.5554 13.8378 13.8378 15.7660 15.7660 15.7967 15.7967 21.0297 21.0297 k = 0.3042 0.5268-0.0000 ( 805 PWs) bands (ev): 7.9714 7.9714 8.0277 8.0277 8.1787 8.1787 8.2914 8.2914 8.9926 8.9926 9.1285 9.1285 9.6561 9.6561 10.3460 10.3460 10.5251 10.5251 10.5683 10.5683 13.6580 13.6580 15.8722 15.8722 15.9384 15.9384 20.8863 20.8863 k = 0.3000 0.5196-0.0000 ( 801 PWs) bands (ev): 7.9467 7.9467 8.0262 8.0262 8.1851 8.1851 8.2824 8.2824 8.9905 8.9905 9.1402 9.1402 9.6477 9.6477 10.3322 10.3322 10.5281 10.5281 10.5816 10.5816 13.4828 13.4828 15.9808 15.9808 16.0840 16.0840 20.7293 20.7293 k = 0.2958 0.5124-0.0000 ( 801 PWs) bands (ev): 7.9190 7.9190 8.0244 8.0244 8.1909 8.1909 8.2727 8.2727 8.9884 8.9884 9.1527 9.1527 9.6385 9.6385 10.3178 10.3178 10.5310 10.5310 10.5948 10.5948 13.3129 13.3129 16.0919 16.0919 16.2327 16.2327 20.5612 20.5612 k = 0.2917 0.5052-0.0000 ( 801 PWs) bands (ev): 7.8878 7.8878 8.0227 8.0227 8.1962 8.1962 8.2629 8.2629 8.9867 8.9867 9.1659 9.1659 9.6282 9.6282 10.3030 10.3030 10.5340 10.5340 10.6075 10.6075 13.1482 13.1482 16.2055 16.2055 16.3845 16.3845 20.3853 20.3853 k = 0.2875 0.4980-0.0000 ( 801 PWs) bands (ev): 7.8525 7.8525 8.0212 8.0212 8.2010 8.2010 8.2534 8.2534 8.9854 8.9854 9.1797 9.1797 9.6172 9.6172 10.2878 10.2878 10.5370 10.5370 10.6193 10.6193 12.9892 12.9892 16.3213 16.3213 16.5390 16.5390 20.2048 20.2048 k = 0.2833 0.4907-0.0000 ( 801 PWs) bands (ev): 7.8126 7.8126 8.0200 8.0200 8.2052 8.2052 8.2446 8.2446 8.9846 8.9846 9.1941 9.1941 9.6054 9.6054 10.2723 10.2723 10.5401 10.5401 10.6300 10.6300 12.8358 12.8358 16.4387 16.4387 16.6964 16.6964 20.0221 20.0221 k = 0.2792 0.4835-0.0000 ( 803 PWs) bands (ev): 7.7678 7.7678 8.0192 8.0192 8.2088 8.2088 8.2369 8.2369 8.9843 8.9843 9.2088 9.2088 9.5928 9.5928 10.2565 10.2565 10.5433 10.5433 10.6392 10.6392 12.6882 12.6882 16.5573 16.5573 16.8566 16.8566 19.8383 19.8383 k = 0.2750 0.4763-0.0000 ( 803 PWs) bands (ev): 7.7178 7.7178 8.0188 8.0188 8.2116 8.2116 8.2309 8.2309 8.9845 8.9845 9.2240 9.2240 9.5796 9.5796 10.2404 10.2404 10.5466 10.5466 10.6472 10.6472 12.5465 12.5465 16.6762 16.6762 17.0194 17.0194 19.6542 19.6542 k = 0.2708 0.4691-0.0000 ( 799 PWs) bands (ev): 7.6624 7.6624 8.0190 8.0190 8.2132 8.2132 8.2273 8.2273 8.9853 8.9853 9.2394 9.2394 9.5658 9.5658 10.2241 10.2241 10.5500 10.5500 10.6537 10.6537 12.4106 12.4106 16.7943 16.7943 17.1850 17.1850 19.4703 19.4703 k = 0.2667 0.4619-0.0000 ( 799 PWs) bands (ev): 7.6016 7.6016 8.0195 8.0195 8.2131 8.2131 8.2263 8.2264 8.9867 8.9867 9.2550 9.2550 9.5516 9.5516 10.2076 10.2076 10.5534 10.5534 10.6584 10.6584 12.2806 12.2806 16.9102 16.9102 17.3532 17.3532 19.2869 19.2869 k = 0.2625 0.4547-0.0000 ( 799 PWs) bands (ev): 7.5354 7.5354 8.0207 8.0207 8.2123 8.2123 8.2273 8.2273 8.9887 8.9887 9.2707 9.2707 9.5368 9.5368 10.1909 10.1909 10.5568 10.5568 10.6611 10.6611 12.1563 12.1563 17.0219 17.0219 17.5241 17.5241 19.1043 19.1043 k = 0.2583 0.4474-0.0000 ( 803 PWs) bands (ev): 7.4638 7.4638 8.0226 8.0226 8.2118 8.2118 8.2290 8.2290 8.9913 8.9913 9.2863 9.2863 9.5216 9.5216 10.1739 10.1739 10.5602 10.5602 10.6618 10.6618 12.0376 12.0376 17.1269 17.1269 17.6976 17.6976 18.9226 18.9226 k = 0.2542 0.4402-0.0000 ( 803 PWs) bands (ev): 7.3873 7.3873 8.0252 8.0252 8.2122 8.2122 8.2312 8.2312 8.9947 8.9947 9.3018 9.3018 9.5063 9.5063 10.1568 10.1568 10.5637 10.5637 10.6605 10.6605 11.9246 11.9246 17.2217 17.2217 17.8736 17.8736 18.7421 18.7421 k = 0.2500 0.4330-0.0000 ( 803 PWs) bands (ev): 7.3061 7.3061 8.0286 8.0286 8.2133 8.2133 8.2336 8.2336 8.9986 8.9986 9.3171 9.3171 9.4910 9.4910 10.1396 10.1396 10.5671 10.5671 10.6571 10.6571 11.8168 11.8168 17.3024 17.3024 18.0520 18.0520 18.5630 18.5630 k = 0.2458 0.4258-0.0000 ( 805 PWs) bands (ev): 7.2203 7.2203 8.0328 8.0328 8.2151 8.2151 8.2363 8.2363 9.0031 9.0031 9.3317 9.3317 9.4760 9.4760 10.1222 10.1222 10.5705 10.5705 10.6516 10.6516 11.7142 11.7142 17.3646 17.3646 18.2306 18.2306 18.3876 18.3876 k = 0.2417 0.4186-0.0000 ( 809 PWs) bands (ev): 7.1304 7.1304 8.0377 8.0377 8.2169 8.2169 8.2397 8.2397 9.0083 9.0083 9.3453 9.3453 9.4617 9.4617 10.1046 10.1046 10.5738 10.5738 10.6439 10.6439 11.6166 11.6166 17.4047 17.4047 18.2037 18.2037 18.4216 18.4216 k = 0.2375 0.4114-0.0000 ( 809 PWs) bands (ev): 7.0367 7.0367 8.0436 8.0436 8.2185 8.2185 8.2442 8.2442 9.0142 9.0142 9.3570 9.3570 9.4493 9.4493 10.0871 10.0871 10.5771 10.5771 10.6341 10.6341 11.5237 11.5237 17.4205 17.4205 18.0301 18.0301 18.6065 18.6065 k = 0.2333 0.4041-0.0000 ( 809 PWs) bands (ev): 6.9395 6.9395 8.0505 8.0505 8.2194 8.2194 8.2502 8.2502 9.0208 9.0208 9.3648 9.3648 9.4406 9.4406 10.0694 10.0694 10.5804 10.5804 10.6221 10.6221 11.4352 11.4352 17.4123 17.4123 17.8567 17.8567 18.7952 18.7952 k = 0.2292 0.3969-0.0000 ( 809 PWs) bands (ev): 6.8393 6.8393 8.0583 8.0583 8.2192 8.2192 8.2576 8.2576 9.0280 9.0280 9.3662 9.3662 9.4382 9.4382 10.0517 10.0517 10.5834 10.5834 10.6081 10.6081 11.3510 11.3510 17.3827 17.3827 17.6850 17.6850 18.9867 18.9867 k = 0.2250 0.3897-0.0000 ( 805 PWs) bands (ev): 6.7363 6.7363 8.0672 8.0672 8.2181 8.2181 8.2665 8.2665 9.0359 9.0359 9.3608 9.3608 9.4431 9.4431 10.0342 10.0342 10.5857 10.5857 10.5928 10.5928 11.2707 11.2707 17.3350 17.3350 17.5158 17.5158 19.1808 19.1808 k = 0.2208 0.3825-0.0000 ( 805 PWs) bands (ev): 6.6310 6.6310 8.0769 8.0769 8.2161 8.2161 8.2764 8.2764 9.0443 9.0443 9.3507 9.3507 9.4525 9.4525 10.0165 10.0165 10.5730 10.5730 10.5900 10.5900 11.1941 11.1941 17.2691 17.2691 17.3536 17.3536 19.3774 19.3774 k = 0.2167 0.3753-0.0000 ( 805 PWs) bands (ev): 6.5236 6.5236 8.0876 8.0876 8.2129 8.2129 8.2877 8.2877 9.0532 9.0532 9.3382 9.3382 9.4644 9.4644 9.9989 9.9989 10.5529 10.5529 10.5926 10.5926 11.1209 11.1209 17.1563 17.1563 17.2312 17.2312 19.5765 19.5765 k = 0.2125 0.3681-0.0000 ( 805 PWs) bands (ev): 6.4146 6.4146 8.0994 8.0994 8.2087 8.2087 8.3000 8.3000 9.0627 9.0627 9.3250 9.3250 9.4773 9.4773 9.9812 9.9812 10.5308 10.5308 10.5952 10.5952 11.0510 11.0510 16.9987 16.9987 17.1492 17.1492 19.7779 19.7779 k = 0.2083 0.3608-0.0000 ( 805 PWs) bands (ev): 6.3042 6.3042 8.1120 8.1120 8.2036 8.2036 8.3133 8.3133 9.0726 9.0726 9.3119 9.3119 9.4906 9.4906 9.9636 9.9636 10.5068 10.5068 10.5976 10.5976 10.9840 10.9840 16.8358 16.8358 17.0708 17.0708 19.9817 19.9817 k = 0.2042 0.3536-0.0000 ( 803 PWs) bands (ev): 6.1929 6.1929 8.1252 8.1252 8.1977 8.1977 8.3276 8.3276 9.0831 9.0831 9.2992 9.2992 9.5040 9.5040 9.9462 9.9462 10.4810 10.4810 10.5998 10.5998 10.9199 10.9199 16.6731 16.6731 16.9921 16.9921 20.1877 20.1877 k = 0.2000 0.3464-0.0000 ( 801 PWs) bands (ev): 6.0808 6.0808 8.1382 8.1382 8.1918 8.1918 8.3427 8.3427 9.0938 9.0938 9.2873 9.2873 9.5173 9.5173 9.9291 9.9291 10.4535 10.4535 10.6016 10.6016 10.8585 10.8585 16.5116 16.5116 16.9137 16.9137 20.3961 20.3961 k = 0.1958 0.3392-0.0000 ( 805 PWs) bands (ev): 5.9683 5.9683 8.1482 8.1482 8.1885 8.1885 8.3584 8.3584 9.1046 9.1046 9.2766 9.2766 9.5304 9.5304 9.9119 9.9119 10.4243 10.4243 10.6029 10.6029 10.7998 10.7998 16.3513 16.3513 16.8361 16.8361 20.6067 20.6067 k = 0.1917 0.3320-0.0000 ( 805 PWs) bands (ev): 5.8556 5.8556 8.1496 8.1496 8.1936 8.1936 8.3751 8.3751 9.1154 9.1154 9.2673 9.2673 9.5431 9.5431 9.8950 9.8950 10.3940 10.3940 10.6032 10.6032 10.7441 10.7441 16.1926 16.1926 16.7600 16.7600 20.8196 20.8196 k = 0.1875 0.3248-0.0000 ( 805 PWs) bands (ev): 5.7430 5.7430 8.1417 8.1417 8.2076 8.2076 8.3924 8.3924 9.1261 9.1261 9.2598 9.2598 9.5554 9.5554 9.8784 9.8784 10.3623 10.3623 10.6010 10.6010 10.6927 10.6927 16.0354 16.0354 16.6858 16.6858 21.0350 21.0350 k = 0.1833 0.3175-0.0000 ( 805 PWs) bands (ev): 5.6308 5.6308 8.1288 8.1288 8.2260 8.2260 8.4104 8.4104 9.1363 9.1363 9.2544 9.2544 9.5672 9.5672 9.8621 9.8621 10.3295 10.3295 10.5906 10.5906 10.6512 10.6512 15.8797 15.8797 16.6139 16.6139 21.2528 21.2528 k = 0.1792 0.3103-0.0000 ( 805 PWs) bands (ev): 5.5191 5.5191 8.1131 8.1131 8.2468 8.2468 8.4289 8.4289 9.1456 9.1456 9.2515 9.2515 9.5785 9.5785 9.8463 9.8463 10.2957 10.2957 10.5604 10.5604 10.6311 10.6311 15.7256 15.7256 16.5444 16.5444 21.4733 21.4733 k = 0.1750 0.3031-0.0000 ( 805 PWs) bands (ev): 5.4082 5.4082 8.0951 8.0951 8.2694 8.2694 8.4481 8.4481 9.1538 9.1538 9.2516 9.2516 9.5890 9.5890 9.8310 9.8310 10.2610 10.2610 10.5170 10.5170 10.6256 10.6256 15.5731 15.5731 16.4776 16.4776 21.6965 21.6965 k = 0.1708 0.2959-0.0000 ( 801 PWs) bands (ev): 5.2982 5.2982 8.0751 8.0751 8.2935 8.2935 8.4677 8.4677 9.1608 9.1608 9.2549 9.2549 9.5988 9.5988 9.8165 9.8165 10.2255 10.2255 10.4712 10.4712 10.6241 10.6241 15.4222 15.4222 16.4136 16.4136 21.9224 21.9224 k = 0.1667 0.2887-0.0000 ( 801 PWs) bands (ev): 5.1893 5.1893 8.0531 8.0531 8.3192 8.3192 8.4879 8.4879 9.1663 9.1663 9.2612 9.2612 9.6074 9.6074 9.8028 9.8028 10.1895 10.1895 10.4251 10.4251 10.6239 10.6239 15.2729 15.2729 16.3524 16.3524 22.1509 22.1509 k = 0.1625 0.2815-0.0000 ( 801 PWs) bands (ev): 5.0817 5.0817 8.0292 8.0292 8.3462 8.3462 8.5084 8.5084 9.1707 9.1707 9.2701 9.2701 9.6148 9.6148 9.7902 9.7902 10.1532 10.1532 10.3799 10.3799 10.6240 10.6240 15.1251 15.1251 16.2940 16.2940 22.3819 22.3819 k = 0.1583 0.2742-0.0000 ( 801 PWs) bands (ev): 4.9756 4.9756 8.0036 8.0036 8.3747 8.3747 8.5293 8.5293 9.1746 9.1746 9.2812 9.2812 9.6207 9.6207 9.7791 9.7791 10.1166 10.1166 10.3357 10.3357 10.6242 10.6242 14.9790 14.9790 16.2384 16.2384 22.6155 22.6155 k = 0.1542 0.2670-0.0000 ( 801 PWs) bands (ev): 4.8710 4.8710 7.9763 7.9763 8.4045 8.4045 8.5506 8.5506 9.1784 9.1784 9.2938 9.2938 9.6246 9.6246 9.7699 9.7699 10.0798 10.0798 10.2926 10.2926 10.6244 10.6244 14.8344 14.8344 16.1856 16.1856 22.8514 22.8514 k = 0.1500 0.2598-0.0000 ( 801 PWs) bands (ev): 4.7681 4.7681 7.9474 7.9474 8.4358 8.4358 8.5722 8.5722 9.1825 9.1825 9.3075 9.3075 9.6262 9.6262 9.7629 9.7629 10.0431 10.0431 10.2506 10.2506 10.6245 10.6245 14.6915 14.6915 16.1355 16.1355 23.0898 23.0898 k = 0.1458 0.2526-0.0000 ( 797 PWs) bands (ev): 4.6670 4.6670 7.9173 7.9173 8.4684 8.4684 8.5945 8.5945 9.1870 9.1870 9.3220 9.3220 9.6255 9.6255 9.7583 9.7583 10.0065 10.0065 10.2098 10.2098 10.6245 10.6245 14.5501 14.5501 16.0880 16.0880 23.3305 23.3305 k = 0.1417 0.2454-0.0000 ( 797 PWs) bands (ev): 4.5679 4.5679 7.8857 7.8857 8.5022 8.5022 8.6166 8.6166 9.1921 9.1921 9.3369 9.3369 9.6223 9.6223 9.7562 9.7562 9.9703 9.9703 10.1701 10.1701 10.6244 10.6244 14.4104 14.4104 16.0432 16.0432 23.5734 23.5734 k = 0.1375 0.2382-0.0000 ( 797 PWs) bands (ev): 4.4708 4.4708 7.8530 7.8530 8.5374 8.5374 8.6390 8.6390 9.1978 9.1978 9.3520 9.3520 9.6170 9.6170 9.7562 9.7562 9.9345 9.9345 10.1317 10.1317 10.6240 10.6240 14.2722 14.2722 16.0008 16.0008 23.8186 23.8186 k = 0.1333 0.2309-0.0000 ( 797 PWs) bands (ev): 4.3758 4.3758 7.8192 7.8192 8.5738 8.5738 8.6617 8.6617 9.2042 9.2042 9.3670 9.3670 9.6102 9.6102 9.7579 9.7579 9.8993 9.8993 10.0943 10.0943 10.6235 10.6235 14.1356 14.1356 15.9608 15.9608 24.0660 24.0660 k = 0.1292 0.2237-0.0000 ( 793 PWs) bands (ev): 4.2831 4.2831 7.7846 7.7846 8.6112 8.6112 8.6847 8.6847 9.2111 9.2111 9.3819 9.3819 9.6026 9.6026 9.7607 9.7607 9.8652 9.8652 10.0586 10.0586 10.6228 10.6228 14.0007 14.0007 15.9232 15.9232 24.3156 24.3156 k = 0.1250 0.2165-0.0000 ( 793 PWs) bands (ev): 4.1926 4.1926 7.7493 7.7493 8.6493 8.6493 8.7085 8.7085 9.2186 9.2186 9.3959 9.3959 9.5948 9.5948 9.7636 9.7636 9.8323 9.8323 10.0237 10.0237 10.6219 10.6219 13.8673 13.8673 15.8878 15.8878 24.5674 24.5674 k = 0.1208 0.2093-0.0000 ( 791 PWs) bands (ev): 4.1046 4.1046 7.7134 7.7134 8.6871 8.6871 8.7339 8.7339 9.2269 9.2269 9.4088 9.4088 9.5874 9.5874 9.7642 9.7642 9.8032 9.8032 9.9901 9.9901 10.6209 10.6209 13.7355 13.7355 15.8545 15.8545 24.8214 24.8214 k = 0.1167 0.2021-0.0000 ( 787 PWs) bands (ev): 4.0190 4.0190 7.6771 7.6771 8.7227 8.7227 8.7629 8.7629 9.2354 9.2354 9.4201 9.4201 9.5812 9.5812 9.7528 9.7528 9.7876 9.7876 9.9580 9.9580 10.6197 10.6197 13.6052 13.6052 15.8232 15.8232 25.0775 25.0775 k = 0.1125 0.1949-0.0000 ( 783 PWs) bands (ev): 3.9359 3.9359 7.6407 7.6407 8.7535 8.7535 8.7980 8.7980 9.2441 9.2441 9.4290 9.4290 9.5768 9.5768 9.7274 9.7274 9.7871 9.7871 9.9273 9.9273 10.6183 10.6183 13.4766 13.4766 15.7939 15.7939 25.3358 25.3358 k = 0.1083 0.1876-0.0000 ( 779 PWs) bands (ev): 3.8553 3.8553 7.6041 7.6041 8.7797 8.7797 8.8388 8.8388 9.2531 9.2531 9.4351 9.4351 9.5753 9.5753 9.6989 9.6989 9.7901 9.7901 9.8984 9.8984 10.6167 10.6167 13.3495 13.3495 15.7664 15.7664 25.5962 25.5962 k = 0.1042 0.1804-0.0000 ( 783 PWs) bands (ev): 3.7774 3.7774 7.5676 7.5676 8.8031 8.8031 8.8831 8.8831 9.2623 9.2623 9.4373 9.4373 9.5764 9.5764 9.6708 9.6708 9.7930 9.7930 9.8719 9.8719 10.6146 10.6146 13.2240 13.2240 15.7407 15.7407 25.8587 25.8587 k = 0.1000 0.1732-0.0000 ( 783 PWs) bands (ev): 3.7022 3.7022 7.5313 7.5313 8.8253 8.8253 8.9298 8.9298 9.2716 9.2716 9.4360 9.4360 9.5800 9.5800 9.6444 9.6444 9.7935 9.7935 9.8495 9.8495 10.6127 10.6127 13.1001 13.1001 15.7167 15.7167 26.1233 26.1233 k = 0.0958 0.1660-0.0000 ( 781 PWs) bands (ev): 3.6298 3.6298 7.4953 7.4953 8.8467 8.8467 8.9782 8.9782 9.2810 9.2810 9.4317 9.4317 9.5839 9.5839 9.6215 9.6215 9.7879 9.7879 9.8352 9.8352 10.6106 10.6106 12.9777 12.9777 15.6942 15.6942 26.3899 26.3899 k = 0.0917 0.1588-0.0000 ( 783 PWs) bands (ev): 3.5601 3.5601 7.4597 7.4597 8.8672 8.8672 9.0280 9.0280 9.2902 9.2902 9.4251 9.4251 9.5786 9.5786 9.6108 9.6108 9.7738 9.7738 9.8308 9.8308 10.6084 10.6084 12.8569 12.8569 15.6733 15.6733 26.6586 26.6586 k = 0.0875 0.1516-0.0000 ( 783 PWs) bands (ev): 3.4933 3.4933 7.4249 7.4249 8.8872 8.8872 9.0789 9.0789 9.2991 9.2991 9.4171 9.4171 9.5606 9.5606 9.6152 9.6152 9.7558 9.7558 9.8322 9.8322 10.6061 10.6061 12.7377 12.7377 15.6538 15.6538 26.9292 26.9292 k = 0.0833 0.1443-0.0000 ( 783 PWs) bands (ev): 3.4293 3.4293 7.3909 7.3909 8.9067 8.9067 9.1304 9.1304 9.3081 9.3081 9.4083 9.4083 9.5399 9.5399 9.6237 9.6237 9.7380 9.7380 9.8359 9.8359 10.6036 10.6036 12.6201 12.6201 15.6356 15.6356 27.2018 27.2018 k = 0.0792 0.1371-0.0000 ( 783 PWs) bands (ev): 3.3682 3.3682 7.3577 7.3577 8.9256 8.9256 9.1817 9.1817 9.3168 9.3168 9.3998 9.3998 9.5198 9.5198 9.6317 9.6317 9.7225 9.7225 9.8406 9.8406 10.6011 10.6011 12.5040 12.5040 15.6187 15.6187 27.4764 27.4764 k = 0.0750 0.1299-0.0000 ( 783 PWs) bands (ev): 3.3101 3.3101 7.3255 7.3255 8.9439 8.9439 9.2308 9.2308 9.3252 9.3252 9.3940 9.3940 9.5008 9.5008 9.6369 9.6369 9.7115 9.7115 9.8459 9.8459 10.5984 10.5984 12.3895 12.3895 15.6031 15.6031 27.7527 27.7527 k = 0.0708 0.1227-0.0000 ( 783 PWs) bands (ev): 3.2549 3.2549 7.2944 7.2944 8.9616 8.9616 9.2729 9.2729 9.3327 9.3327 9.3962 9.3962 9.4831 9.4831 9.6369 9.6369 9.7071 9.7071 9.8515 9.8515 10.5957 10.5957 12.2766 12.2766 15.5886 15.5886 28.0309 28.0309 k = 0.0667 0.1155-0.0000 ( 783 PWs) bands (ev): 3.2027 3.2027 7.2645 7.2645 8.9789 8.9789 9.2991 9.2991 9.3374 9.3374 9.4171 9.4171 9.4669 9.4669 9.6313 9.6313 9.7093 9.7093 9.8574 9.8574 10.5930 10.5930 12.1653 12.1653 15.5753 15.5753 28.3107 28.3107 k = 0.0625 0.1083-0.0000 ( 785 PWs) bands (ev): 3.1536 3.1536 7.2359 7.2359 8.9952 8.9952 9.3065 9.3065 9.3407 9.3407 9.4504 9.4504 9.4595 9.4595 9.6226 9.6226 9.7163 9.7163 9.8638 9.8638 10.5903 10.5903 12.0555 12.0555 15.5630 15.5630 28.5920 28.5920 k = 0.0583 0.1010-0.0000 ( 781 PWs) bands (ev): 3.1075 3.1075 7.2089 7.2089 9.0113 9.0113 9.3023 9.3023 9.3450 9.3450 9.4377 9.4377 9.5100 9.5100 9.6129 9.6129 9.7257 9.7257 9.8710 9.8710 10.5875 10.5875 11.9472 11.9472 15.5517 15.5517 28.8749 28.8749 k = 0.0542 0.0938-0.0000 ( 783 PWs) bands (ev): 3.0645 3.0645 7.1833 7.1833 9.0264 9.0264 9.2932 9.2932 9.3494 9.3494 9.4251 9.4251 9.5651 9.5651 9.6035 9.6035 9.7364 9.7364 9.8793 9.8793 10.5848 10.5848 11.8405 11.8405 15.5414 15.5414 29.1588 29.1588 k = 0.0500 0.0866-0.0000 ( 787 PWs) bands (ev): 3.0246 3.0246 7.1592 7.1592 9.0407 9.0407 9.2823 9.2823 9.3529 9.3529 9.4134 9.4134 9.5945 9.5945 9.6207 9.6207 9.7483 9.7483 9.8895 9.8895 10.5821 10.5821 11.7354 11.7354 15.5320 15.5320 29.4436 29.4436 k = 0.0458 0.0794-0.0000 ( 787 PWs) bands (ev): 2.9879 2.9879 7.1368 7.1368 9.0544 9.0544 9.2710 9.2710 9.3558 9.3558 9.4029 9.4029 9.5870 9.5870 9.6722 9.6722 9.7626 9.7626 9.9032 9.9032 10.5795 10.5795 11.6319 11.6319 15.5235 15.5235 29.7291 29.7291 k = 0.0417 0.0722-0.0000 ( 787 PWs) bands (ev): 2.9542 2.9542 7.1161 7.1161 9.0674 9.0674 9.2597 9.2597 9.3579 9.3579 9.3934 9.3934 9.5806 9.5806 9.7135 9.7135 9.7820 9.7820 9.9233 9.9233 10.5770 10.5770 11.5301 11.5301 15.5158 15.5158 30.0146 30.0146 k = 0.0375 0.0650-0.0000 ( 789 PWs) bands (ev): 2.9237 2.9237 7.0971 7.0971 9.0796 9.0796 9.2485 9.2485 9.3593 9.3593 9.3847 9.3847 9.5752 9.5752 9.7394 9.7394 9.8068 9.8068 9.9545 9.9545 10.5746 10.5746 11.4298 11.4298 15.5090 15.5090 30.2995 30.2995 k = 0.0333 0.0577-0.0000 ( 785 PWs) bands (ev): 2.8964 2.8964 7.0801 7.0801 9.0911 9.0911 9.2379 9.2379 9.3601 9.3601 9.3772 9.3772 9.5710 9.5710 9.7545 9.7545 9.8295 9.8295 9.9996 9.9996 10.5725 10.5725 11.3312 11.3312 15.5030 15.5030 30.5828 30.5828 k = 0.0292 0.0505-0.0000 ( 785 PWs) bands (ev): 2.8723 2.8723 7.0649 7.0649 9.1021 9.1021 9.2276 9.2276 9.3604 9.3604 9.3705 9.3705 9.5676 9.5676 9.7642 9.7642 9.8457 9.8457 10.0566 10.0566 10.5706 10.5706 11.2342 11.2342 15.4977 15.4977 30.8628 30.8628 k = 0.0250 0.0433-0.0000 ( 781 PWs) bands (ev): 2.8514 2.8514 7.0517 7.0517 9.1124 9.1124 9.2177 9.2177 9.3602 9.3602 9.3649 9.3649 9.5652 9.5652 9.7715 9.7715 9.8570 9.8570 10.1217 10.1217 10.5689 10.5689 11.1389 11.1389 15.4932 15.4932 31.1371 31.1371 k = 0.0208 0.0361-0.0000 ( 781 PWs) bands (ev): 2.8337 2.8337 7.0404 7.0404 9.1223 9.1223 9.2083 9.2083 9.3584 9.3584 9.3614 9.3614 9.5633 9.5633 9.7770 9.7770 9.8649 9.8649 10.1917 10.1917 10.5676 10.5676 11.0454 11.0454 15.4894 15.4894 31.4011 31.4011 k = 0.0167 0.0289-0.0000 ( 785 PWs) bands (ev): 2.8191 2.8191 7.0311 7.0311 9.1314 9.1314 9.1992 9.1992 9.3549 9.3549 9.3603 9.3603 9.5617 9.5617 9.7812 9.7812 9.8705 9.8705 10.2649 10.2649 10.5668 10.5668 10.9538 10.9538 15.4863 15.4863 31.6470 31.6470 k = 0.0125 0.0217-0.0000 ( 785 PWs) bands (ev): 2.8078 2.8078 7.0239 7.0239 9.1403 9.1403 9.1905 9.1905 9.3518 9.3518 9.3597 9.3597 9.5608 9.5608 9.7843 9.7843 9.8745 9.8745 10.3398 10.3398 10.5669 10.5669 10.8642 10.8642 15.4839 15.4839 31.8603 31.8603 k = 0.0083 0.0144-0.0000 ( 785 PWs) bands (ev): 2.7998 2.7998 7.0187 7.0187 9.1488 9.1488 9.1822 9.1822 9.3496 9.3496 9.3593 9.3593 9.5602 9.5602 9.7865 9.7865 9.8773 9.8773 10.4142 10.4142 10.5692 10.5692 10.7774 10.7774 15.4822 15.4822 32.0179 32.0179 k = 0.0042 0.0072-0.0000 ( 785 PWs) bands (ev): 2.7949 2.7949 7.0156 7.0156 9.1570 9.1570 9.1741 9.1741 9.3483 9.3483 9.3591 9.3591 9.5599 9.5599 9.7878 9.7878 9.8789 9.8789 10.4799 10.4799 10.5801 10.5801 10.6949 10.6949 15.4812 15.4812 32.1039 32.1039 k = 0.0000 0.0000 0.0000 ( 785 PWs) bands (ev): 2.7933 2.7933 7.0146 7.0146 9.1630 9.1630 9.1681 9.1681 9.3478 9.3478 9.3590 9.3590 9.5598 9.5598 9.7882 9.7882 9.8794 9.8794 10.5085 10.5085 10.6158 10.6158 10.6286 10.6286 15.4809 15.4809 32.1291 32.1291 k = 0.0000 0.0000 0.0000 ( 785 PWs) bands (ev): 2.7933 2.7933 7.0146 7.0146 9.1630 9.1630 9.1681 9.1681 9.3478 9.3478 9.3590 9.3590 9.5598 9.5598 9.7882 9.7882 9.8794 9.8794 10.5085 10.5085 10.6158 10.6158 10.6286 10.6286 15.4809 15.4809 32.1291 32.1291 k = 0.0000 0.0000 0.0082 ( 785 PWs) bands (ev): 2.7949 2.7949 7.0134 7.0134 9.1628 9.1628 9.1677 9.1677 9.3475 9.3475 9.3587 9.3587 9.5594 9.5594 9.7890 9.7890 9.8801 9.8801 10.5082 10.5082 10.6157 10.6157 10.6217 10.6217 15.4922 15.4922 32.1292 32.1293 k = 0.0000 0.0000 0.0164 ( 785 PWs) bands (ev): 2.7996 2.7996 7.0098 7.0098 9.1621 9.1621 9.1666 9.1666 9.3464 9.3464 9.3580 9.3580 9.5583 9.5583 9.7915 9.7915 9.8819 9.8819 10.5068 10.5068 10.6017 10.6017 10.6153 10.6153 15.5261 15.5261 32.1298 32.1298 k = 0.0000 0.0000 0.0246 ( 785 PWs) bands (ev): 2.8074 2.8074 7.0038 7.0038 9.1610 9.1610 9.1649 9.1649 9.3447 9.3447 9.3567 9.3567 9.5565 9.5565 9.7955 9.7955 9.8851 9.8851 10.5031 10.5031 10.5706 10.5706 10.6147 10.6147 15.5818 15.5818 32.1306 32.1306 k = 0.0000 0.0000 0.0328 ( 785 PWs) bands (ev): 2.8183 2.8183 6.9953 6.9953 9.1595 9.1595 9.1624 9.1624 9.3423 9.3423 9.3549 9.3549 9.5540 9.5540 9.8011 9.8011 9.8894 9.8894 10.4893 10.4893 10.5371 10.5371 10.6137 10.6137 15.6582 15.6582 32.1317 32.1317 k = 0.0000 0.0000 0.0410 ( 785 PWs) bands (ev): 2.8323 2.8323 6.9842 6.9842 9.1576 9.1576 9.1592 9.1592 9.3393 9.3393 9.3526 9.3526 9.5508 9.5508 9.8081 9.8081 9.8950 9.8950 10.4474 10.4474 10.5208 10.5208 10.6126 10.6126 15.7542 15.7542 32.1331 32.1331 k = 0.0000 0.0000 0.0492 ( 785 PWs) bands (ev): 2.8495 2.8495 6.9703 6.9703 9.1554 9.1554 9.1554 9.1554 9.3359 9.3359 9.3498 9.3498 9.5470 9.5470 9.8165 9.8165 9.9016 9.9016 10.3848 10.3848 10.5158 10.5158 10.6111 10.6111 15.8682 15.8682 32.1345 32.1345 k = 0.0000 0.0000 0.0574 ( 785 PWs) bands (ev): 2.8697 2.8697 6.9535 6.9535 9.1510 9.1510 9.1529 9.1529 9.3320 9.3320 9.3466 9.3466 9.5425 9.5425 9.8261 9.8261 9.9094 9.9094 10.3119 10.3119 10.5133 10.5133 10.6094 10.6094 15.9987 15.9987 32.1355 32.1355 k = 0.0000 0.0000 0.0656 ( 785 PWs) bands (ev): 2.8930 2.8930 6.9336 6.9336 9.1459 9.1459 9.1501 9.1501 9.3278 9.3278 9.3428 9.3428 9.5374 9.5374 9.8369 9.8369 9.9183 9.9183 10.2322 10.2322 10.5115 10.5115 10.6073 10.6073 16.1442 16.1442 32.1348 32.1348 k = 0.0000 0.0000 0.0738 ( 797 PWs) bands (ev): 2.9194 2.9194 6.9105 6.9105 9.1403 9.1403 9.1471 9.1471 9.3233 9.3233 9.3384 9.3384 9.5314 9.5314 9.8482 9.8482 9.9275 9.9275 10.1480 10.1480 10.5095 10.5095 10.6048 10.6048 16.3033 16.3033 32.1262 32.1262 k = 0.0000 0.0000 0.0820 ( 797 PWs) bands (ev): 2.9489 2.9489 6.8838 6.8838 9.1341 9.1341 9.1441 9.1441 9.3186 9.3186 9.3337 9.3337 9.5251 9.5251 9.8610 9.8610 9.9382 9.9382 10.0608 10.0608 10.5077 10.5077 10.6021 10.6021 16.4747 16.4747 32.0559 32.0559 k = 0.0000 0.0000 0.0902 ( 797 PWs) bands (ev): 2.9814 2.9814 6.8534 6.8534 9.1274 9.1274 9.1409 9.1409 9.3139 9.3139 9.3287 9.3287 9.5183 9.5183 9.8747 9.8747 9.9499 9.9499 9.9721 9.9721 10.5058 10.5058 10.5991 10.5991 16.6572 16.6572 31.8021 31.8021 k = 0.0000 0.0000 0.0984 ( 797 PWs) bands (ev): 3.0170 3.0170 6.8190 6.8190 9.1202 9.1202 9.1377 9.1377 9.3091 9.3091 9.3232 9.3232 9.5109 9.5109 9.8834 9.8834 9.8891 9.8891 9.9623 9.9623 10.5036 10.5036 10.5957 10.5957 16.8497 16.8497 31.4920 31.4920 k = 0.0000 0.0000 0.1066 ( 797 PWs) bands (ev): 3.0556 3.0556 6.7804 6.7804 9.1125 9.1125 9.1346 9.1346 9.3044 9.3044 9.3174 9.3174 9.5030 9.5030 9.7958 9.7958 9.9042 9.9042 9.9755 9.9755 10.5012 10.5012 10.5920 10.5920 17.0512 17.0512 31.1712 31.1712 k = 0.0000 0.0000 0.1148 ( 797 PWs) bands (ev): 3.0971 3.0971 6.7374 6.7374 9.1045 9.1045 9.1315 9.1315 9.2998 9.2998 9.3112 9.3112 9.4944 9.4944 9.7104 9.7104 9.9199 9.9199 9.9893 9.9893 10.4984 10.4984 10.5879 10.5879 17.2610 17.2610 30.8457 30.8457 k = 0.0000 0.0000 0.1230 ( 791 PWs) bands (ev): 3.1417 3.1417 6.6898 6.6898 9.0961 9.0961 9.1286 9.1286 9.2953 9.2953 9.3047 9.3047 9.4851 9.4851 9.6285 9.6285 9.9364 9.9364 10.0041 10.0041 10.4954 10.4954 10.5834 10.5834 17.4784 17.4784 30.5178 30.5178 k = 0.0000 0.0000 0.1312 ( 785 PWs) bands (ev): 3.1892 3.1892 6.6379 6.6379 9.0876 9.0876 9.1258 9.1258 9.2911 9.2911 9.2979 9.2979 9.4734 9.4734 9.5524 9.5524 9.9531 9.9531 10.0192 10.0192 10.4920 10.4920 10.5785 10.5785 17.7026 17.7026 30.1883 30.1883 k = 0.0000 0.0000 0.1394 ( 785 PWs) bands (ev): 3.2396 3.2396 6.5808 6.5808 9.0784 9.0784 9.1233 9.1233 9.2871 9.2871 9.2908 9.2908 9.4496 9.4496 9.4922 9.4922 9.9700 9.9700 10.0347 10.0347 10.4882 10.4882 10.5732 10.5732 17.9332 17.9332 29.8577 29.8577 k = 0.0000 0.0000 0.1476 ( 779 PWs) bands (ev): 3.2928 3.2928 6.5190 6.5190 9.0690 9.0690 9.1211 9.1211 9.2835 9.2835 9.2836 9.2836 9.3939 9.3939 9.4684 9.4684 9.9874 9.9874 10.0506 10.0506 10.4843 10.4843 10.5678 10.5678 18.1697 18.1697 29.5267 29.5267 k = 0.0000 0.0000 0.1558 ( 797 PWs) bands (ev): 3.3490 3.3490 6.4523 6.4523 9.0582 9.0582 9.1189 9.1189 9.2760 9.2760 9.2799 9.2799 9.3313 9.3313 9.4561 9.4561 10.0043 10.0043 10.0662 10.0662 10.4795 10.4795 10.5614 10.5614 18.4116 18.4116 29.1952 29.1952 k = 0.0000 0.0000 0.1640 ( 797 PWs) bands (ev): 3.4080 3.4080 6.3811 6.3811 9.0484 9.0484 9.1171 9.1171 9.2683 9.2683 9.2722 9.2722 9.2769 9.2769 9.4456 9.4456 10.0220 10.0220 10.0828 10.0828 10.4743 10.4743 10.5547 10.5547 18.6587 18.6587 28.8643 28.8643 k = 0.0000 0.0000 0.1722 ( 797 PWs) bands (ev): 3.4697 3.4697 6.3055 6.3055 9.0383 9.0383 9.1157 9.1157 9.2179 9.2179 9.2606 9.2606 9.2743 9.2743 9.4355 9.4355 10.0398 10.0398 10.0996 10.0996 10.4687 10.4687 10.5476 10.5476 18.9105 18.9105 28.5338 28.5338 k = 0.0000 0.0000 0.1804 ( 797 PWs) bands (ev): 3.5342 3.5342 6.2258 6.2258 9.0282 9.0282 9.1146 9.1146 9.1687 9.1687 9.2527 9.2527 9.2722 9.2722 9.4256 9.4256 10.0577 10.0577 10.1167 10.1167 10.4626 10.4626 10.5400 10.5400 19.1667 19.1667 28.2040 28.2040 k = 0.0000 0.0000 0.1886 ( 797 PWs) bands (ev): 3.6014 3.6014 6.1423 6.1423 9.0180 9.0180 9.1139 9.1139 9.1245 9.1245 9.2448 9.2448 9.2705 9.2705 9.4159 9.4159 10.0757 10.0757 10.1339 10.1339 10.4561 10.4561 10.5319 10.5319 19.4273 19.4273 27.8751 27.8751 k = 0.0000 0.0000 0.1968 ( 797 PWs) bands (ev): 3.6713 3.6713 6.0553 6.0553 9.0077 9.0077 9.0854 9.0854 9.1136 9.1136 9.2369 9.2369 9.2694 9.2694 9.4062 9.4062 10.0936 10.0936 10.1512 10.1512 10.4489 10.4489 10.5232 10.5232 19.6918 19.6918 27.5471 27.5471 k = 0.0000 0.0000 0.2050 ( 797 PWs) bands (ev): 3.7437 3.7437 5.9652 5.9652 8.9975 8.9975 9.0510 9.0510 9.1137 9.1137 9.2290 9.2290 9.2687 9.2687 9.3967 9.3967 10.1114 10.1114 10.1686 10.1686 10.4413 10.4413 10.5141 10.5141 19.9601 19.9601 27.2203 27.2203 k = 0.0000 0.0000 0.2132 ( 797 PWs) bands (ev): 3.8186 3.8186 5.8726 5.8726 8.9874 8.9874 9.0211 9.0211 9.1141 9.1141 9.2212 9.2212 9.2685 9.2685 9.3872 9.3872 10.1292 10.1292 10.1860 10.1860 10.4331 10.4331 10.5045 10.5045 20.2320 20.2320 26.8947 26.8947 k = 0.0000 0.0000 0.2214 ( 797 PWs) bands (ev): 3.8961 3.8961 5.7776 5.7776 8.9775 8.9775 8.9954 8.9954 9.1151 9.1151 9.2134 9.2134 9.2689 9.2689 9.3780 9.3780 10.1468 10.1468 10.2033 10.2033 10.4244 10.4244 10.4944 10.4944 20.5074 20.5074 26.5705 26.5705 k = 0.0000 0.0000 0.2296 ( 797 PWs) bands (ev): 3.9759 3.9759 5.6809 5.6809 8.9678 8.9678 8.9737 8.9737 9.1164 9.1164 9.2058 9.2058 9.2698 9.2698 9.3690 9.3690 10.1642 10.1642 10.2206 10.2206 10.4151 10.4151 10.4838 10.4838 20.7861 20.7861 26.2478 26.2478 k = 0.0000 0.0000 0.2378 ( 797 PWs) bands (ev): 4.0580 4.0580 5.5827 5.5827 8.9557 8.9557 8.9585 8.9585 9.1182 9.1182 9.1983 9.1983 9.2712 9.2712 9.3601 9.3601 10.1815 10.1815 10.2378 10.2378 10.4053 10.4053 10.4727 10.4727 21.0680 21.0680 25.9266 25.9266 k = 0.0000 0.0000 0.2460 ( 803 PWs) bands (ev): 4.1424 4.1424 5.4834 5.4834 8.9409 8.9409 8.9495 8.9495 9.1202 9.1202 9.1910 9.1910 9.2731 9.2731 9.3516 9.3516 10.1982 10.1982 10.2546 10.2546 10.3947 10.3947 10.4609 10.4609 21.3529 21.3529 25.6071 25.6071 k = 0.0000 0.0000 0.2542 ( 803 PWs) bands (ev): 4.2289 4.2289 5.3834 5.3834 8.9292 8.9292 8.9411 8.9411 9.1228 9.1228 9.1838 9.1838 9.2756 9.2756 9.3433 9.3433 10.2149 10.2149 10.2714 10.2714 10.3838 10.3838 10.4489 10.4489 21.6408 21.6408 25.2893 25.2893 k = 0.0000 0.0000 0.2624 ( 802 PWs) bands (ev): 4.3174 4.3174 5.2831 5.2831 8.9203 8.9203 8.9336 8.9336 9.1259 9.1259 9.1770 9.1770 9.2787 9.2787 9.3354 9.3354 10.2313 10.2313 10.2881 10.2881 10.3724 10.3724 10.4363 10.4363 21.9315 21.9315 24.9734 24.9734 k = 0.0000 0.0000 0.2706 ( 802 PWs) bands (ev): 4.4078 4.4078 5.1828 5.1828 8.9139 8.9139 8.9265 8.9265 9.1293 9.1293 9.1703 9.1703 9.2822 9.2822 9.3277 9.3277 10.2473 10.2473 10.3044 10.3044 10.3605 10.3605 10.4233 10.4233 22.2249 22.2249 24.6594 24.6594 k = 0.0000 0.0000 0.2788 ( 802 PWs) bands (ev): 4.5001 4.5001 5.0826 5.0826 8.9098 8.9098 8.9203 8.9203 9.1332 9.1332 9.1640 9.1640 9.2863 9.2863 9.3205 9.3205 10.2630 10.2630 10.3205 10.3205 10.3480 10.3480 10.4098 10.4098 22.5209 22.5209 24.3473 24.3473 k = 0.0000 0.0000 0.2870 ( 790 PWs) bands (ev): 4.5940 4.5940 4.9830 4.9830 8.9078 8.9078 8.9155 8.9155 9.1377 9.1377 9.1585 9.1585 9.2911 9.2911 9.3142 9.3142 10.2784 10.2784 10.3351 10.3351 10.3364 10.3364 10.3961 10.3961 22.8195 22.8195 24.0374 24.0374 k = 0.0000 0.0000 0.2952 ( 790 PWs) bands (ev): 4.6894 4.6894 4.8841 4.8841 8.9075 8.9075 8.9114 8.9114 9.1423 9.1423 9.1528 9.1528 9.2962 9.2962 9.3077 9.3077 10.2932 10.2932 10.3217 10.3217 10.3518 10.3518 10.3817 10.3817 23.1205 23.1205 23.7295 23.7295 k = 0.0000 0.0000 0.3034 ( 796 PWs) bands (ev): 4.7862 4.7862 4.7862 4.7862 8.9084 8.9084 8.9084 8.9084 9.1473 9.1473 9.1473 9.1473 9.3017 9.3017 9.3017 9.3017 10.3076 10.3076 10.3076 10.3076 10.3669 10.3669 10.3669 10.3669 23.4238 23.4238 23.4238 23.4238 k = 0.0000 0.0000 0.3034 ( 796 PWs) bands (ev): 4.7862 4.7862 4.7862 4.7862 8.9084 8.9084 8.9084 8.9084 9.1473 9.1473 9.1473 9.1473 9.3017 9.3017 9.3017 9.3017 10.3076 10.3076 10.3076 10.3076 10.3669 10.3669 10.3669 10.3669 23.4238 23.4238 23.4238 23.4238 k = 0.0071 0.0041 0.3034 ( 804 PWs) bands (ev): 4.7876 4.7876 4.7876 4.7876 8.9077 8.9077 8.9077 8.9077 9.1473 9.1473 9.1473 9.1473 9.3016 9.3016 9.3016 9.3016 10.3076 10.3076 10.3076 10.3076 10.3670 10.3670 10.3670 10.3670 23.4250 23.4250 23.4250 23.4250 k = 0.0143 0.0082 0.3034 ( 802 PWs) bands (ev): 4.7919 4.7919 4.7919 4.7919 8.9062 8.9062 8.9062 8.9062 9.1479 9.1479 9.1479 9.1479 9.3023 9.3023 9.3023 9.3023 10.3080 10.3080 10.3080 10.3080 10.3676 10.3676 10.3676 10.3676 23.4287 23.4287 23.4287 23.4287 k = 0.0214 0.0124 0.3034 ( 802 PWs) bands (ev): 4.7991 4.7991 4.7991 4.7991 8.9036 8.9036 8.9036 8.9036 9.1489 9.1489 9.1489 9.1489 9.3033 9.3033 9.3033 9.3033 10.3086 10.3086 10.3086 10.3086 10.3685 10.3685 10.3685 10.3685 23.4349 23.4349 23.4349 23.4349 k = 0.0286 0.0165 0.3034 ( 796 PWs) bands (ev): 4.8091 4.8091 4.8091 4.8091 8.9001 8.9001 8.9001 8.9001 9.1504 9.1504 9.1504 9.1504 9.3048 9.3048 9.3048 9.3048 10.3094 10.3094 10.3094 10.3094 10.3701 10.3701 10.3701 10.3701 23.4436 23.4436 23.4436 23.4436 k = 0.0357 0.0206 0.3034 ( 800 PWs) bands (ev): 4.8219 4.8219 4.8219 4.8219 8.8954 8.8954 8.8954 8.8954 9.1518 9.1518 9.1518 9.1518 9.3067 9.3067 9.3067 9.3067 10.3102 10.3102 10.3102 10.3102 10.3719 10.3719 10.3719 10.3719 23.4546 23.4546 23.4546 23.4546 k = 0.0429 0.0247 0.3034 ( 800 PWs) bands (ev): 4.8376 4.8376 4.8376 4.8376 8.8898 8.8898 8.8898 8.8898 9.1535 9.1535 9.1535 9.1535 9.3093 9.3093 9.3093 9.3093 10.3111 10.3111 10.3111 10.3111 10.3744 10.3744 10.3744 10.3744 23.4682 23.4682 23.4682 23.4682 k = 0.0500 0.0289 0.3034 ( 800 PWs) bands (ev): 4.8561 4.8561 4.8561 4.8561 8.8834 8.8834 8.8834 8.8834 9.1553 9.1553 9.1553 9.1553 9.3125 9.3125 9.3125 9.3125 10.3119 10.3119 10.3119 10.3119 10.3776 10.3776 10.3776 10.3776 23.4842 23.4842 23.4842 23.4842 k = 0.0571 0.0330 0.3034 ( 796 PWs) bands (ev): 4.8774 4.8774 4.8774 4.8774 8.8762 8.8762 8.8762 8.8762 9.1570 9.1570 9.1570 9.1570 9.3164 9.3164 9.3164 9.3164 10.3127 10.3127 10.3127 10.3127 10.3816 10.3816 10.3816 10.3816 23.5026 23.5026 23.5026 23.5026 k = 0.0643 0.0371 0.3034 ( 796 PWs) bands (ev): 4.9015 4.9015 4.9015 4.9015 8.8683 8.8683 8.8683 8.8683 9.1585 9.1585 9.1585 9.1585 9.3211 9.3211 9.3211 9.3211 10.3132 10.3132 10.3132 10.3132 10.3863 10.3863 10.3863 10.3863 23.5234 23.5234 23.5234 23.5234 k = 0.0714 0.0412 0.3034 ( 792 PWs) bands (ev): 4.9283 4.9283 4.9283 4.9283 8.8599 8.8599 8.8599 8.8599 9.1597 9.1597 9.1597 9.1597 9.3269 9.3269 9.3269 9.3269 10.3135 10.3135 10.3135 10.3135 10.3918 10.3918 10.3918 10.3918 23.5467 23.5467 23.5467 23.5467 k = 0.0786 0.0454 0.3034 ( 788 PWs) bands (ev): 4.9578 4.9578 4.9578 4.9578 8.8508 8.8508 8.8508 8.8508 9.1604 9.1604 9.1604 9.1604 9.3336 9.3336 9.3336 9.3336 10.3136 10.3136 10.3136 10.3136 10.3982 10.3982 10.3982 10.3982 23.5723 23.5723 23.5723 23.5723 k = 0.0857 0.0495 0.3034 ( 788 PWs) bands (ev): 4.9900 4.9900 4.9900 4.9900 8.8411 8.8411 8.8411 8.8411 9.1605 9.1605 9.1605 9.1605 9.3413 9.3413 9.3413 9.3413 10.3134 10.3134 10.3134 10.3134 10.4054 10.4054 10.4054 10.4054 23.6003 23.6003 23.6003 23.6003 k = 0.0929 0.0536 0.3034 ( 788 PWs) bands (ev): 5.0248 5.0248 5.0248 5.0248 8.8310 8.8310 8.8310 8.8310 9.1599 9.1599 9.1599 9.1599 9.3500 9.3500 9.3500 9.3500 10.3131 10.3131 10.3131 10.3131 10.4134 10.4134 10.4134 10.4134 23.6306 23.6306 23.6306 23.6306 k = 0.1000 0.0577 0.3034 ( 788 PWs) bands (ev): 5.0622 5.0622 5.0622 5.0622 8.8206 8.8206 8.8206 8.8206 9.1587 9.1587 9.1587 9.1587 9.3598 9.3598 9.3598 9.3598 10.3125 10.3125 10.3125 10.3125 10.4221 10.4221 10.4221 10.4221 23.6631 23.6631 23.6631 23.6631 k = 0.1071 0.0619 0.3034 ( 788 PWs) bands (ev): 5.1021 5.1021 5.1021 5.1021 8.8098 8.8098 8.8098 8.8098 9.1567 9.1567 9.1567 9.1567 9.3707 9.3707 9.3707 9.3707 10.3118 10.3118 10.3118 10.3118 10.4317 10.4317 10.4317 10.4317 23.6979 23.6979 23.6979 23.6979 k = 0.1143 0.0660 0.3034 ( 788 PWs) bands (ev): 5.1446 5.1446 5.1446 5.1446 8.7987 8.7987 8.7987 8.7987 9.1542 9.1542 9.1542 9.1542 9.3827 9.3827 9.3827 9.3827 10.3109 10.3109 10.3109 10.3109 10.4419 10.4419 10.4419 10.4419 23.7349 23.7349 23.7349 23.7349 k = 0.1214 0.0701 0.3034 ( 788 PWs) bands (ev): 5.1894 5.1894 5.1894 5.1894 8.7874 8.7874 8.7874 8.7874 9.1510 9.1510 9.1510 9.1510 9.3957 9.3957 9.3957 9.3957 10.3100 10.3100 10.3100 10.3100 10.4529 10.4529 10.4529 10.4529 23.7740 23.7740 23.7740 23.7740 k = 0.1286 0.0742 0.3034 ( 788 PWs) bands (ev): 5.2366 5.2366 5.2366 5.2366 8.7760 8.7760 8.7760 8.7760 9.1473 9.1473 9.1473 9.1473 9.4097 9.4097 9.4097 9.4097 10.3090 10.3090 10.3090 10.3090 10.4645 10.4645 10.4645 10.4645 23.8151 23.8151 23.8151 23.8151 k = 0.1357 0.0784 0.3034 ( 792 PWs) bands (ev): 5.2861 5.2861 5.2861 5.2861 8.7644 8.7644 8.7644 8.7644 9.1432 9.1432 9.1432 9.1432 9.4246 9.4246 9.4246 9.4246 10.3079 10.3079 10.3079 10.3079 10.4765 10.4765 10.4765 10.4765 23.8581 23.8581 23.8581 23.8581 k = 0.1429 0.0825 0.3034 ( 788 PWs) bands (ev): 5.3378 5.3378 5.3378 5.3378 8.7528 8.7528 8.7528 8.7528 9.1388 9.1388 9.1388 9.1388 9.4403 9.4403 9.4403 9.4403 10.3070 10.3070 10.3070 10.3070 10.4895 10.4895 10.4895 10.4895 23.9029 23.9029 23.9029 23.9029 k = 0.1500 0.0866 0.3034 ( 792 PWs) bands (ev): 5.3917 5.3917 5.3917 5.3917 8.7411 8.7411 8.7411 8.7411 9.1340 9.1340 9.1340 9.1340 9.4567 9.4567 9.4567 9.4567 10.3061 10.3061 10.3061 10.3061 10.5028 10.5028 10.5028 10.5028 23.9491 23.9491 23.9491 23.9491 k = 0.1571 0.0907 0.3034 ( 792 PWs) bands (ev): 5.4475 5.4475 5.4475 5.4475 8.7294 8.7294 8.7294 8.7294 9.1292 9.1292 9.1292 9.1292 9.4739 9.4739 9.4739 9.4739 10.3053 10.3053 10.3053 10.3053 10.5167 10.5167 10.5167 10.5167 23.9966 23.9966 23.9966 23.9966 k = 0.1643 0.0949 0.3034 ( 792 PWs) bands (ev): 5.5052 5.5052 5.5052 5.5052 8.7178 8.7178 8.7178 8.7178 9.1245 9.1245 9.1245 9.1245 9.4916 9.4916 9.4916 9.4916 10.3046 10.3046 10.3046 10.3046 10.5310 10.5310 10.5310 10.5310 24.0449 24.0449 24.0449 24.0449 k = 0.1714 0.0990 0.3034 ( 800 PWs) bands (ev): 5.5647 5.5647 5.5647 5.5647 8.7062 8.7062 8.7062 8.7062 9.1197 9.1197 9.1197 9.1197 9.5096 9.5096 9.5096 9.5096 10.3042 10.3042 10.3042 10.3042 10.5457 10.5457 10.5457 10.5457 24.0934 24.0934 24.0934 24.0934 k = 0.1786 0.1031 0.3034 ( 796 PWs) bands (ev): 5.6259 5.6259 5.6259 5.6259 8.6949 8.6949 8.6949 8.6949 9.1155 9.1155 9.1155 9.1155 9.5283 9.5283 9.5283 9.5283 10.3041 10.3041 10.3041 10.3041 10.5611 10.5611 10.5611 10.5611 24.1412 24.1412 24.1412 24.1412 k = 0.1857 0.1072 0.3034 ( 798 PWs) bands (ev): 5.6885 5.6885 5.6885 5.6885 8.6834 8.6834 8.6834 8.6834 9.1118 9.1118 9.1118 9.1118 9.5473 9.5473 9.5473 9.5473 10.3042 10.3042 10.3042 10.3042 10.5767 10.5767 10.5767 10.5767 24.1869 24.1869 24.1869 24.1869 k = 0.1929 0.1113 0.3034 ( 794 PWs) bands (ev): 5.7526 5.7526 5.7526 5.7526 8.6722 8.6722 8.6722 8.6722 9.1088 9.1088 9.1088 9.1088 9.5665 9.5665 9.5665 9.5665 10.3048 10.3048 10.3048 10.3048 10.5929 10.5929 10.5929 10.5929 24.2282 24.2282 24.2282 24.2282 k = 0.2000 0.1155 0.3034 ( 794 PWs) bands (ev): 5.8178 5.8178 5.8178 5.8178 8.6610 8.6610 8.6610 8.6610 9.1067 9.1067 9.1067 9.1067 9.5858 9.5858 9.5858 9.5858 10.3057 10.3057 10.3057 10.3057 10.6094 10.6094 10.6094 10.6094 24.2612 24.2612 24.2612 24.2612 k = 0.2071 0.1196 0.3034 ( 794 PWs) bands (ev): 5.8840 5.8840 5.8840 5.8840 8.6500 8.6500 8.6500 8.6500 9.1057 9.1057 9.1057 9.1057 9.6052 9.6052 9.6052 9.6052 10.3071 10.3071 10.3071 10.3071 10.6263 10.6263 10.6263 10.6263 24.2793 24.2793 24.2793 24.2793 k = 0.2143 0.1237 0.3034 ( 794 PWs) bands (ev): 5.9510 5.9510 5.9510 5.9510 8.6391 8.6391 8.6391 8.6391 9.1060 9.1060 9.1060 9.1060 9.6245 9.6245 9.6245 9.6245 10.3089 10.3089 10.3089 10.3089 10.6436 10.6436 10.6436 10.6436 24.2710 24.2710 24.2710 24.2710 k = 0.2214 0.1278 0.3034 ( 790 PWs) bands (ev): 6.0186 6.0186 6.0186 6.0186 8.6285 8.6285 8.6285 8.6285 9.1079 9.1079 9.1079 9.1079 9.6437 9.6437 9.6437 9.6437 10.3114 10.3114 10.3114 10.3114 10.6613 10.6613 10.6613 10.6613 24.2198 24.2198 24.2198 24.2198 k = 0.2286 0.1320 0.3034 ( 788 PWs) bands (ev): 6.0865 6.0865 6.0865 6.0865 8.6179 8.6179 8.6179 8.6179 9.1116 9.1116 9.1116 9.1116 9.6626 9.6626 9.6626 9.6626 10.3146 10.3146 10.3146 10.3146 10.6795 10.6795 10.6795 10.6795 24.1109 24.1109 24.1109 24.1109 k = 0.2357 0.1361 0.3034 ( 792 PWs) bands (ev): 6.1544 6.1544 6.1544 6.1544 8.6072 8.6072 8.6072 8.6072 9.1170 9.1170 9.1170 9.1170 9.6810 9.6810 9.6810 9.6810 10.3184 10.3184 10.3184 10.3184 10.6980 10.6980 10.6980 10.6980 23.9442 23.9442 23.9442 23.9442 k = 0.2429 0.1402 0.3034 ( 792 PWs) bands (ev): 6.2222 6.2222 6.2222 6.2222 8.5967 8.5967 8.5967 8.5967 9.1249 9.1249 9.1249 9.1249 9.6989 9.6989 9.6989 9.6989 10.3230 10.3230 10.3230 10.3230 10.7169 10.7169 10.7169 10.7169 23.7345 23.7345 23.7345 23.7345 k = 0.2500 0.1443 0.3034 ( 792 PWs) bands (ev): 6.2896 6.2896 6.2896 6.2896 8.5863 8.5863 8.5863 8.5863 9.1354 9.1354 9.1354 9.1354 9.7162 9.7162 9.7162 9.7162 10.3285 10.3285 10.3285 10.3285 10.7364 10.7364 10.7364 10.7364 23.4982 23.4982 23.4982 23.4982 k = 0.2571 0.1485 0.3034 ( 792 PWs) bands (ev): 6.3561 6.3561 6.3561 6.3561 8.5759 8.5759 8.5759 8.5759 9.1486 9.1486 9.1486 9.1486 9.7329 9.7329 9.7329 9.7329 10.3348 10.3348 10.3348 10.3348 10.7564 10.7564 10.7564 10.7564 23.2470 23.2470 23.2470 23.2470 k = 0.2643 0.1526 0.3034 ( 802 PWs) bands (ev): 6.4215 6.4215 6.4215 6.4215 8.5652 8.5652 8.5652 8.5652 9.1647 9.1647 9.1647 9.1647 9.7486 9.7486 9.7486 9.7486 10.3419 10.3419 10.3419 10.3419 10.7768 10.7768 10.7768 10.7768 22.9875 22.9875 22.9875 22.9875 k = 0.2714 0.1567 0.3034 ( 802 PWs) bands (ev): 6.4857 6.4857 6.4857 6.4857 8.5550 8.5550 8.5550 8.5550 9.1841 9.1841 9.1841 9.1841 9.7636 9.7636 9.7636 9.7636 10.3502 10.3502 10.3502 10.3502 10.7980 10.7980 10.7980 10.7980 22.7238 22.7238 22.7238 22.7238 k = 0.2786 0.1608 0.3034 ( 802 PWs) bands (ev): 6.5481 6.5481 6.5481 6.5481 8.5448 8.5448 8.5448 8.5448 9.2070 9.2070 9.2070 9.2070 9.7776 9.7776 9.7776 9.7776 10.3594 10.3594 10.3594 10.3594 10.8199 10.8199 10.8199 10.8199 22.4582 22.4582 22.4582 22.4582 k = 0.2857 0.1650 0.3034 ( 802 PWs) bands (ev): 6.6086 6.6086 6.6086 6.6086 8.5346 8.5346 8.5346 8.5346 9.2334 9.2334 9.2334 9.2334 9.7907 9.7907 9.7907 9.7907 10.3696 10.3696 10.3696 10.3696 10.8426 10.8426 10.8426 10.8426 22.1923 22.1923 22.1923 22.1923 k = 0.2929 0.1691 0.3034 ( 802 PWs) bands (ev): 6.6668 6.6668 6.6668 6.6668 8.5245 8.5245 8.5245 8.5245 9.2635 9.2635 9.2635 9.2635 9.8029 9.8029 9.8029 9.8029 10.3808 10.3808 10.3808 10.3808 10.8663 10.8663 10.8663 10.8663 21.9270 21.9270 21.9270 21.9270 k = 0.3000 0.1732 0.3034 ( 802 PWs) bands (ev): 6.7226 6.7226 6.7226 6.7226 8.5145 8.5145 8.5145 8.5145 9.2973 9.2973 9.2973 9.2973 9.8140 9.8140 9.8140 9.8140 10.3929 10.3929 10.3929 10.3929 10.8910 10.8910 10.8910 10.8910 21.6630 21.6630 21.6630 21.6630 k = 0.3071 0.1773 0.3034 ( 802 PWs) bands (ev): 6.7756 6.7756 6.7756 6.7756 8.5045 8.5045 8.5045 8.5045 9.3347 9.3347 9.3347 9.3347 9.8241 9.8241 9.8241 9.8241 10.4058 10.4058 10.4058 10.4058 10.9170 10.9170 10.9170 10.9170 21.4008 21.4008 21.4008 21.4008 k = 0.3143 0.1815 0.3034 ( 802 PWs) bands (ev): 6.8257 6.8257 6.8257 6.8257 8.4947 8.4947 8.4947 8.4947 9.3758 9.3758 9.3758 9.3758 9.8333 9.8333 9.8333 9.8333 10.4195 10.4195 10.4195 10.4195 10.9443 10.9443 10.9443 10.9443 21.1410 21.1410 21.1410 21.1410 k = 0.3214 0.1856 0.3034 ( 794 PWs) bands (ev): 6.8729 6.8729 6.8729 6.8729 8.4853 8.4853 8.4853 8.4853 9.4203 9.4203 9.4203 9.4203 9.8417 9.8417 9.8417 9.8417 10.4341 10.4341 10.4341 10.4341 10.9734 10.9734 10.9734 10.9734 20.8837 20.8837 20.8837 20.8837 k = 0.3286 0.1897 0.3034 ( 794 PWs) bands (ev): 6.9168 6.9168 6.9168 6.9168 8.4758 8.4758 8.4758 8.4758 9.4677 9.4677 9.4677 9.4677 9.8493 9.8493 9.8493 9.8493 10.4491 10.4491 10.4491 10.4491 11.0042 11.0042 11.0042 11.0042 20.6294 20.6294 20.6294 20.6294 k = 0.3357 0.1938 0.3034 ( 794 PWs) bands (ev): 6.9575 6.9575 6.9575 6.9575 8.4664 8.4664 8.4664 8.4664 9.5177 9.5177 9.5177 9.5177 9.8561 9.8561 9.8561 9.8561 10.4646 10.4646 10.4646 10.4646 11.0371 11.0371 11.0371 11.0371 20.3783 20.3783 20.3783 20.3783 k = 0.3429 0.1979 0.3034 ( 794 PWs) bands (ev): 6.9950 6.9950 6.9950 6.9950 8.4573 8.4573 8.4573 8.4573 9.5698 9.5698 9.5698 9.5698 9.8624 9.8624 9.8624 9.8624 10.4805 10.4805 10.4805 10.4805 11.0724 11.0724 11.0724 11.0724 20.1306 20.1306 20.1306 20.1306 k = 0.3500 0.2021 0.3034 ( 794 PWs) bands (ev): 7.0294 7.0294 7.0294 7.0294 8.4484 8.4484 8.4484 8.4484 9.6233 9.6233 9.6233 9.6233 9.8684 9.8684 9.8684 9.8684 10.4967 10.4967 10.4967 10.4967 11.1104 11.1104 11.1104 11.1104 19.8867 19.8867 19.8867 19.8867 k = 0.3571 0.2062 0.3034 ( 790 PWs) bands (ev): 7.0608 7.0608 7.0608 7.0608 8.4400 8.4400 8.4400 8.4400 9.6772 9.6772 9.6772 9.6772 9.8746 9.8746 9.8746 9.8746 10.5130 10.5130 10.5130 10.5130 11.1515 11.1515 11.1515 11.1515 19.6468 19.6468 19.6468 19.6468 k = 0.3643 0.2103 0.3034 ( 798 PWs) bands (ev): 7.0892 7.0892 7.0892 7.0892 8.4314 8.4314 8.4314 8.4314 9.7298 9.7298 9.7298 9.7298 9.8816 9.8816 9.8816 9.8816 10.5291 10.5291 10.5291 10.5291 11.1958 11.1958 11.1958 11.1958 19.4113 19.4113 19.4113 19.4113 k = 0.3714 0.2144 0.3034 ( 802 PWs) bands (ev): 7.1148 7.1148 7.1148 7.1148 8.4234 8.4234 8.4234 8.4234 9.7788 9.7788 9.7788 9.7788 9.8915 9.8915 9.8915 9.8915 10.5452 10.5452 10.5452 10.5452 11.2436 11.2436 11.2436 11.2436 19.1804 19.1804 19.1804 19.1804 k = 0.3786 0.2186 0.3034 ( 798 PWs) bands (ev): 7.1378 7.1378 7.1378 7.1378 8.4159 8.4159 8.4159 8.4159 9.8191 9.8191 9.8191 9.8191 9.9089 9.9089 9.9089 9.9089 10.5613 10.5613 10.5613 10.5613 11.2954 11.2954 11.2954 11.2954 18.9546 18.9546 18.9546 18.9546 k = 0.3857 0.2227 0.3034 ( 802 PWs) bands (ev): 7.1582 7.1582 7.1582 7.1582 8.4086 8.4086 8.4086 8.4086 9.8444 9.8444 9.8444 9.8444 9.9391 9.9391 9.9391 9.9391 10.5769 10.5769 10.5769 10.5769 11.3511 11.3511 11.3511 11.3511 18.7343 18.7343 18.7343 18.7343 k = 0.3929 0.2268 0.3034 ( 802 PWs) bands (ev): 7.1764 7.1764 7.1764 7.1764 8.4016 8.4016 8.4016 8.4016 9.8572 9.8572 9.8572 9.8572 9.9793 9.9793 9.9793 9.9793 10.5922 10.5922 10.5922 10.5922 11.4108 11.4108 11.4108 11.4108 18.5199 18.5199 18.5199 18.5199 k = 0.4000 0.2309 0.3034 ( 802 PWs) bands (ev): 7.1925 7.1925 7.1925 7.1925 8.3951 8.3951 8.3951 8.3951 9.8639 9.8639 9.8639 9.8639 10.0225 10.0225 10.0225 10.0225 10.6069 10.6069 10.6069 10.6069 11.4743 11.4743 11.4743 11.4743 18.3119 18.3119 18.3119 18.3119 k = 0.4071 0.2351 0.3034 ( 802 PWs) bands (ev): 7.2067 7.2067 7.2067 7.2067 8.3889 8.3889 8.3889 8.3889 9.8679 9.8679 9.8679 9.8679 10.0650 10.0650 10.0650 10.0650 10.6211 10.6211 10.6211 10.6211 11.5412 11.5412 11.5412 11.5412 18.1110 18.1110 18.1110 18.1110 k = 0.4143 0.2392 0.3034 ( 798 PWs) bands (ev): 7.2192 7.2192 7.2192 7.2192 8.3832 8.3832 8.3832 8.3832 9.8706 9.8706 9.8706 9.8706 10.1051 10.1051 10.1051 10.1051 10.6346 10.6346 10.6346 10.6346 11.6112 11.6112 11.6112 11.6112 17.9178 17.9178 17.9178 17.9178 k = 0.4214 0.2433 0.3034 ( 796 PWs) bands (ev): 7.2301 7.2301 7.2301 7.2301 8.3779 8.3779 8.3779 8.3779 9.8723 9.8723 9.8723 9.8723 10.1422 10.1422 10.1422 10.1422 10.6473 10.6473 10.6473 10.6473 11.6833 11.6833 11.6833 11.6833 17.7331 17.7331 17.7331 17.7331 k = 0.4286 0.2474 0.3034 ( 800 PWs) bands (ev): 7.2394 7.2394 7.2394 7.2394 8.3730 8.3730 8.3730 8.3730 9.8735 9.8735 9.8735 9.8735 10.1757 10.1757 10.1757 10.1757 10.6589 10.6589 10.6589 10.6589 11.7567 11.7567 11.7567 11.7567 17.5579 17.5579 17.5579 17.5579 k = 0.4357 0.2516 0.3034 ( 796 PWs) bands (ev): 7.2478 7.2478 7.2478 7.2478 8.3686 8.3686 8.3686 8.3686 9.8745 9.8745 9.8745 9.8745 10.2058 10.2058 10.2058 10.2058 10.6698 10.6698 10.6698 10.6698 11.8303 11.8303 11.8303 11.8303 17.3931 17.3931 17.3931 17.3931 k = 0.4429 0.2557 0.3034 ( 796 PWs) bands (ev): 7.2547 7.2547 7.2547 7.2547 8.3646 8.3646 8.3646 8.3646 9.8751 9.8751 9.8751 9.8751 10.2323 10.2323 10.2323 10.2323 10.6797 10.6797 10.6797 10.6797 11.9026 11.9026 11.9026 11.9026 17.2400 17.2400 17.2400 17.2400 k = 0.4500 0.2598 0.3034 ( 796 PWs) bands (ev): 7.2605 7.2605 7.2605 7.2605 8.3611 8.3611 8.3611 8.3611 9.8756 9.8756 9.8756 9.8756 10.2552 10.2552 10.2552 10.2552 10.6886 10.6886 10.6886 10.6886 11.9722 11.9722 11.9722 11.9722 17.0997 17.0997 17.0997 17.0997 k = 0.4571 0.2639 0.3034 ( 796 PWs) bands (ev): 7.2654 7.2654 7.2654 7.2654 8.3580 8.3580 8.3580 8.3580 9.8760 9.8760 9.8760 9.8760 10.2748 10.2748 10.2748 10.2748 10.6963 10.6963 10.6963 10.6963 12.0374 12.0374 12.0374 12.0374 16.9737 16.9737 16.9737 16.9737 k = 0.4643 0.2681 0.3034 ( 796 PWs) bands (ev): 7.2694 7.2694 7.2694 7.2694 8.3554 8.3554 8.3554 8.3554 9.8762 9.8762 9.8762 9.8762 10.2911 10.2911 10.2911 10.2911 10.7030 10.7030 10.7030 10.7030 12.0967 12.0967 12.0967 12.0967 16.8636 16.8636 16.8636 16.8636 k = 0.4714 0.2722 0.3034 ( 796 PWs) bands (ev): 7.2725 7.2725 7.2725 7.2725 8.3532 8.3532 8.3532 8.3532 9.8764 9.8764 9.8764 9.8764 10.3042 10.3042 10.3042 10.3042 10.7084 10.7084 10.7084 10.7084 12.1481 12.1481 12.1481 12.1481 16.7707 16.7707 16.7707 16.7707 k = 0.4786 0.2763 0.3034 ( 796 PWs) bands (ev): 7.2749 7.2749 7.2749 7.2749 8.3516 8.3516 8.3516 8.3516 9.8765 9.8765 9.8765 9.8765 10.3143 10.3143 10.3143 10.3143 10.7127 10.7127 10.7127 10.7127 12.1902 12.1902 12.1902 12.1902 16.6966 16.6966 16.6966 16.6966 k = 0.4857 0.2804 0.3034 ( 796 PWs) bands (ev): 7.2766 7.2766 7.2766 7.2766 8.3504 8.3504 8.3504 8.3504 9.8766 9.8766 9.8766 9.8766 10.3214 10.3214 10.3214 10.3214 10.7158 10.7158 10.7158 10.7158 12.2215 12.2215 12.2215 12.2215 16.6425 16.6425 16.6425 16.6425 k = 0.4929 0.2846 0.3034 ( 796 PWs) bands (ev): 7.2776 7.2776 7.2776 7.2776 8.3497 8.3497 8.3497 8.3497 9.8766 9.8766 9.8766 9.8766 10.3257 10.3257 10.3257 10.3257 10.7177 10.7177 10.7177 10.7177 12.2407 12.2407 12.2407 12.2407 16.6097 16.6097 16.6097 16.6097 k = 0.5000 0.2887 0.3034 ( 796 PWs) bands (ev): 7.2779 7.2779 7.2779 7.2779 8.3494 8.3494 8.3494 8.3494 9.8766 9.8766 9.8766 9.8766 10.3271 10.3271 10.3271 10.3271 10.7183 10.7183 10.7183 10.7183 12.2472 12.2472 12.2472 12.2472 16.5986 16.5986 16.5986 16.5986 k = 0.5000 0.2887 0.3034 ( 796 PWs) bands (ev): 7.2779 7.2779 7.2779 7.2779 8.3494 8.3494 8.3494 8.3494 9.8766 9.8766 9.8766 9.8766 10.3271 10.3271 10.3271 10.3271 10.7183 10.7183 10.7183 10.7183 12.2472 12.2472 12.2472 12.2472 16.5986 16.5986 16.5986 16.5986 k = 0.4958 0.2959 0.3034 ( 796 PWs) bands (ev): 7.2788 7.2788 7.2789 7.2789 8.3491 8.3491 8.3507 8.3507 9.8722 9.8722 9.8770 9.8770 10.3206 10.3206 10.3319 10.3319 10.7112 10.7112 10.7226 10.7226 12.2508 12.2508 12.2540 12.2540 16.5991 16.5991 16.5994 16.5994 k = 0.4917 0.3031 0.3034 ( 796 PWs) bands (ev): 7.2816 7.2816 7.2818 7.2818 8.3496 8.3496 8.3529 8.3529 9.8639 9.8639 9.8732 9.8732 10.3126 10.3126 10.3346 10.3346 10.7017 10.7017 10.7239 10.7239 12.2647 12.2647 12.2708 12.2708 16.6008 16.6008 16.6014 16.6014 k = 0.4875 0.3103 0.3034 ( 796 PWs) bands (ev): 7.2863 7.2863 7.2866 7.2866 8.3510 8.3510 8.3559 8.3559 9.8518 9.8518 9.8652 9.8652 10.3034 10.3034 10.3348 10.3348 10.6904 10.6904 10.7225 10.7225 12.2885 12.2885 12.2974 12.2974 16.6038 16.6038 16.6047 16.6047 k = 0.4833 0.3175 0.3034 ( 798 PWs) bands (ev): 7.2928 7.2928 7.2932 7.2932 8.3532 8.3532 8.3598 8.3598 9.8362 9.8362 9.8530 9.8530 10.2931 10.2931 10.3320 10.3320 10.6783 10.6783 10.7187 10.7187 12.3219 12.3219 12.3331 12.3331 16.6080 16.6080 16.6092 16.6092 k = 0.4792 0.3248 0.3034 ( 794 PWs) bands (ev): 7.3013 7.3013 7.3019 7.3019 8.3564 8.3564 8.3646 8.3646 9.8174 9.8174 9.8368 9.8368 10.2819 10.2819 10.3259 10.3259 10.6663 10.6663 10.7130 10.7130 12.3640 12.3640 12.3772 12.3772 16.6134 16.6134 16.6150 16.6150 k = 0.4750 0.3320 0.3034 ( 798 PWs) bands (ev): 7.3115 7.3115 7.3122 7.3122 8.3604 8.3604 8.3703 8.3703 9.7951 9.7951 9.8162 9.8162 10.2696 10.2696 10.3161 10.3161 10.6552 10.6552 10.7060 10.7060 12.4143 12.4143 12.4291 12.4291 16.6201 16.6201 16.6220 16.6220 k = 0.4708 0.3392 0.3034 ( 798 PWs) bands (ev): 7.3236 7.3236 7.3244 7.3244 8.3653 8.3653 8.3769 8.3769 9.7699 9.7699 9.7919 9.7919 10.2564 10.2564 10.3026 10.3026 10.6457 10.6457 10.6984 10.6984 12.4720 12.4720 12.4879 12.4879 16.6281 16.6281 16.6302 16.6302 k = 0.4667 0.3464 0.3034 ( 802 PWs) bands (ev): 7.3374 7.3374 7.3383 7.3383 8.3709 8.3709 8.3843 8.3843 9.7418 9.7418 9.7639 9.7639 10.2421 10.2421 10.2853 10.2853 10.6380 10.6380 10.6903 10.6903 12.5363 12.5363 12.5531 12.5531 16.6373 16.6373 16.6398 16.6398 k = 0.4625 0.3536 0.3034 ( 802 PWs) bands (ev): 7.3529 7.3529 7.3540 7.3540 8.3774 8.3774 8.3925 8.3925 9.7112 9.7112 9.7327 9.7327 10.2270 10.2270 10.2651 10.2651 10.6325 10.6325 10.6825 10.6825 12.6067 12.6067 12.6239 12.6239 16.6477 16.6477 16.6506 16.6506 k = 0.4583 0.3608 0.3034 ( 802 PWs) bands (ev): 7.3702 7.3702 7.3714 7.3714 8.3846 8.3846 8.4015 8.4015 9.6781 9.6781 9.6986 9.6986 10.2111 10.2111 10.2423 10.2423 10.6287 10.6287 10.6752 10.6752 12.6824 12.6824 12.6999 12.6999 16.6595 16.6595 16.6626 16.6626 k = 0.4542 0.3681 0.3034 ( 802 PWs) bands (ev): 7.3891 7.3891 7.3904 7.3904 8.3926 8.3926 8.4113 8.4113 9.6429 9.6429 9.6618 9.6618 10.1944 10.1944 10.2174 10.2174 10.6265 10.6265 10.6684 10.6684 12.7629 12.7629 12.7805 12.7805 16.6725 16.6725 16.6760 16.6760 k = 0.4500 0.3753 0.3034 ( 798 PWs) bands (ev): 7.4096 7.4096 7.4111 7.4111 8.4013 8.4013 8.4218 8.4218 9.6058 9.6058 9.6229 9.6229 10.1771 10.1771 10.1913 10.1913 10.6255 10.6255 10.6623 10.6623 12.8479 12.8479 12.8654 12.8654 16.6868 16.6868 16.6906 16.6906 k = 0.4458 0.3825 0.3034 ( 796 PWs) bands (ev): 7.4317 7.4317 7.4334 7.4334 8.4104 8.4104 8.4328 8.4328 9.5670 9.5670 9.5820 9.5820 10.1592 10.1592 10.1643 10.1643 10.6253 10.6253 10.6568 10.6568 12.9368 12.9368 12.9540 12.9540 16.7023 16.7023 16.7065 16.7065 k = 0.4417 0.3897 0.3034 ( 796 PWs) bands (ev): 7.4552 7.4552 7.4571 7.4571 8.4203 8.4203 8.4445 8.4445 9.5268 9.5268 9.5396 9.5396 10.1366 10.1366 10.1408 10.1408 10.6258 10.6258 10.6519 10.6519 13.0293 13.0293 13.0462 13.0462 16.7192 16.7192 16.7237 16.7237 k = 0.4375 0.3969 0.3034 ( 794 PWs) bands (ev): 7.4801 7.4801 7.4822 7.4822 8.4306 8.4306 8.4567 8.4567 9.4854 9.4854 9.4959 9.4959 10.1089 10.1089 10.1221 10.1221 10.6268 10.6268 10.6477 10.6477 13.1252 13.1252 13.1415 13.1415 16.7373 16.7373 16.7422 16.7422 k = 0.4333 0.4041 0.3034 ( 794 PWs) bands (ev): 7.5063 7.5063 7.5086 7.5086 8.4414 8.4414 8.4693 8.4693 9.4432 9.4432 9.4513 9.4513 10.0811 10.0811 10.1031 10.1031 10.6278 10.6278 10.6438 10.6438 13.2240 13.2240 13.2399 13.2399 16.7568 16.7568 16.7620 16.7620 k = 0.4292 0.4114 0.3034 ( 794 PWs) bands (ev): 7.5338 7.5338 7.5363 7.5363 8.4525 8.4525 8.4823 8.4823 9.4005 9.4005 9.4061 9.4061 10.0535 10.0535 10.0840 10.0840 10.6290 10.6290 10.6404 10.6404 13.3257 13.3257 13.3410 13.3410 16.7775 16.7775 16.7831 16.7831 k = 0.4250 0.4186 0.3034 ( 794 PWs) bands (ev): 7.5625 7.5625 7.5652 7.5652 8.4640 8.4640 8.4955 8.4955 9.3574 9.3574 9.3605 9.3605 10.0263 10.0263 10.0649 10.0649 10.6301 10.6301 10.6372 10.6372 13.4300 13.4300 13.4446 13.4446 16.7995 16.7995 16.8055 16.8055 k = 0.4208 0.4258 0.3034 ( 794 PWs) bands (ev): 7.5922 7.5922 7.5952 7.5952 8.4756 8.4756 8.5087 8.5087 9.3144 9.3144 9.3149 9.3149 9.9997 9.9997 10.0460 10.0460 10.6310 10.6310 10.6342 10.6342 13.5368 13.5368 13.5506 13.5506 16.8227 16.8227 16.8292 16.8292 k = 0.4167 0.4330 0.3034 ( 794 PWs) bands (ev): 7.6230 7.6230 7.6262 7.6262 8.4872 8.4872 8.5218 8.5218 9.2694 9.2694 9.2717 9.2717 9.9736 9.9736 10.0273 10.0273 10.6314 10.6314 10.6318 10.6318 13.6458 13.6458 13.6589 13.6589 16.8473 16.8473 16.8541 16.8541 k = 0.4125 0.4402 0.3034 ( 798 PWs) bands (ev): 7.6546 7.6546 7.6581 7.6581 8.4986 8.4986 8.5345 8.5345 9.2242 9.2242 9.2295 9.2295 9.9481 9.9481 10.0089 10.0089 10.6286 10.6286 10.6323 10.6323 13.7569 13.7569 13.7692 13.7692 16.8730 16.8730 16.8803 16.8803 k = 0.4083 0.4474 0.3034 ( 798 PWs) bands (ev): 7.6872 7.6872 7.6909 7.6909 8.5099 8.5099 8.5467 8.5467 9.1797 9.1797 9.1884 9.1884 9.9234 9.9234 9.9911 9.9911 10.6259 10.6259 10.6326 10.6326 13.8699 13.8699 13.8814 13.8814 16.8999 16.8999 16.9076 16.9076 k = 0.4042 0.4547 0.3034 ( 798 PWs) bands (ev): 7.7204 7.7204 7.7244 7.7244 8.5206 8.5206 8.5579 8.5579 9.1361 9.1361 9.1486 9.1486 9.8996 9.8996 9.9739 9.9739 10.6231 10.6231 10.6327 10.6327 13.9848 13.9848 13.9954 13.9954 16.9279 16.9279 16.9360 16.9360 k = 0.4000 0.4619 0.3034 ( 798 PWs) bands (ev): 7.7544 7.7544 7.7586 7.7586 8.5306 8.5306 8.5677 8.5677 9.0936 9.0936 9.1106 9.1106 9.8767 9.8767 9.9573 9.9573 10.6204 10.6204 10.6324 10.6324 14.1013 14.1013 14.1110 14.1110 16.9569 16.9569 16.9655 16.9655 k = 0.3958 0.4691 0.3034 ( 794 PWs) bands (ev): 7.7888 7.7888 7.7933 7.7933 8.5396 8.5396 8.5758 8.5758 9.0526 9.0526 9.0749 9.0749 9.8550 9.8550 9.9417 9.9417 10.6176 10.6176 10.6319 10.6319 14.2193 14.2193 14.2281 14.2281 16.9868 16.9868 16.9959 16.9959 k = 0.3917 0.4763 0.3034 ( 794 PWs) bands (ev): 7.8238 7.8238 7.8284 7.8284 8.5471 8.5471 8.5813 8.5813 9.0134 9.0134 9.0420 9.0420 9.8342 9.8342 9.9268 9.9268 10.6148 10.6148 10.6312 10.6312 14.3387 14.3387 14.3464 14.3464 17.0174 17.0174 17.0270 17.0270 k = 0.3875 0.4835 0.3034 ( 794 PWs) bands (ev): 7.8590 7.8590 7.8638 7.8638 8.5528 8.5528 8.5836 8.5836 8.9765 8.9765 9.0125 9.0125 9.8146 9.8146 9.9128 9.9128 10.6119 10.6119 10.6302 10.6302 14.4591 14.4591 14.4658 14.4658 17.0485 17.0485 17.0586 17.0586 k = 0.3833 0.4907 0.3034 ( 794 PWs) bands (ev): 7.8946 7.8946 7.8995 7.8995 8.5560 8.5560 8.5822 8.5822 8.9423 8.9423 8.9870 8.9870 9.7962 9.7962 9.9000 9.9000 10.6089 10.6089 10.6289 10.6289 14.5805 14.5805 14.5860 14.5860 17.0797 17.0797 17.0904 17.0904 k = 0.3792 0.4980 0.3034 ( 794 PWs) bands (ev): 7.9303 7.9303 7.9352 7.9352 8.5562 8.5562 8.5764 8.5764 8.9114 8.9114 8.9660 8.9660 9.7792 9.7792 9.8882 9.8882 10.6060 10.6060 10.6275 10.6275 14.7024 14.7024 14.7068 14.7068 17.1106 17.1106 17.1218 17.1218 k = 0.3750 0.5052 0.3034 ( 792 PWs) bands (ev): 7.9660 7.9660 7.9710 7.9710 8.5528 8.5528 8.5661 8.5661 8.8844 8.8844 8.9497 8.9497 9.7636 9.7636 9.8777 9.8777 10.6030 10.6030 10.6259 10.6259 14.8245 14.8245 14.8277 14.8277 17.1404 17.1404 17.1523 17.1523 k = 0.3708 0.5124 0.3034 ( 792 PWs) bands (ev): 8.0018 8.0018 8.0066 8.0066 8.5452 8.5452 8.5512 8.5512 8.8617 8.8617 8.9378 8.9378 9.7495 9.7495 9.8683 9.8683 10.6001 10.6001 10.6243 10.6243 14.9464 14.9464 14.9482 14.9482 17.1685 17.1685 17.1811 17.1811 k = 0.3667 0.5196 0.3034 ( 792 PWs) bands (ev): 8.0374 8.0374 8.0419 8.0419 8.5321 8.5321 8.5334 8.5334 8.8436 8.8436 8.9299 8.9299 9.7371 9.7371 9.8602 9.8602 10.5972 10.5972 10.6226 10.6226 15.0673 15.0673 15.0677 15.0677 17.1935 17.1935 17.2069 17.2069 k = 0.3625 0.5268 0.3034 ( 792 PWs) bands (ev): 8.0728 8.0728 8.0766 8.0766 8.5095 8.5095 8.5174 8.5174 8.8298 8.8298 8.9252 8.9252 9.7262 9.7262 9.8533 9.8533 10.5945 10.5945 10.6208 10.6208 15.1852 15.1852 15.1864 15.1864 17.2139 17.2139 17.2283 17.2283 k = 0.3583 0.5340 0.3034 ( 788 PWs) bands (ev): 8.1079 8.1079 8.1107 8.1107 8.4844 8.4844 8.4981 8.4981 8.8200 8.8200 8.9229 8.9229 9.7171 9.7171 9.8477 9.8477 10.5919 10.5919 10.6191 10.6191 15.2995 15.2995 15.3024 15.3024 17.2278 17.2278 17.2433 17.2433 k = 0.3542 0.5413 0.3034 ( 788 PWs) bands (ev): 8.1426 8.1426 8.1439 8.1439 8.4570 8.4570 8.4759 8.4759 8.8132 8.8132 8.9222 8.9222 9.7096 9.7096 9.8432 9.8432 10.5895 10.5895 10.6175 10.6175 15.4087 15.4087 15.4135 15.4135 17.2331 17.2331 17.2499 17.2499 k = 0.3500 0.5485 0.3034 ( 784 PWs) bands (ev): 8.1756 8.1756 8.1768 8.1768 8.4281 8.4281 8.4522 8.4522 8.8088 8.8088 8.9224 8.9224 9.7039 9.7039 9.8400 9.8400 10.5875 10.5875 10.6161 10.6161 15.5102 15.5102 15.5170 15.5170 17.2280 17.2280 17.2464 17.2464 k = 0.3458 0.5557 0.3034 ( 784 PWs) bands (ev): 8.2051 8.2051 8.2104 8.2104 8.3983 8.3983 8.4284 8.4284 8.8060 8.8060 8.9230 8.9230 9.6996 9.6996 9.8376 9.8376 10.5858 10.5858 10.6149 10.6149 15.6002 15.6002 15.6090 15.6090 17.2125 17.2125 17.2328 17.2328 k = 0.3417 0.5629 0.3034 ( 780 PWs) bands (ev): 8.2310 8.2310 8.2433 8.2433 8.3682 8.3682 8.4064 8.4064 8.8044 8.8044 8.9238 8.9238 9.6967 9.6967 9.8362 9.8362 10.5845 10.5845 10.6139 10.6139 15.6732 15.6732 15.6839 15.6839 17.1899 17.1899 17.2121 17.2121 k = 0.3375 0.5701 0.3034 ( 780 PWs) bands (ev): 8.2502 8.2502 8.2754 8.2754 8.3376 8.3376 8.3894 8.3894 8.8036 8.8036 8.9242 8.9242 9.6951 9.6951 9.8354 9.8354 10.5836 10.5836 10.6133 10.6133 15.7224 15.7224 15.7346 15.7346 17.1682 17.1682 17.1919 17.1919 k = 0.3333 0.5774 0.3034 ( 780 PWs) bands (ev): 8.2576 8.2576 8.3040 8.3040 8.3094 8.3094 8.3826 8.3826 8.8034 8.8034 8.9244 8.9244 9.6946 9.6946 9.8351 9.8351 10.5833 10.5833 10.6131 10.6131 15.7403 15.7403 15.7531 15.7531 17.1584 17.1584 17.1827 17.1827 k = 0.3333 0.5774 0.3034 ( 780 PWs) bands (ev): 8.2576 8.2576 8.3040 8.3040 8.3094 8.3094 8.3826 8.3826 8.8034 8.8034 8.9244 8.9244 9.6946 9.6946 9.8351 9.8351 10.5833 10.5833 10.6131 10.6131 15.7403 15.7403 15.7531 15.7531 17.1584 17.1584 17.1827 17.1827 k = 0.3292 0.5701 0.3034 ( 780 PWs) bands (ev): 8.2504 8.2504 8.2759 8.2759 8.3371 8.3371 8.3891 8.3891 8.8036 8.8036 8.9242 8.9242 9.6950 9.6950 9.8353 9.8353 10.5837 10.5837 10.6133 10.6133 15.7211 15.7211 15.7333 15.7333 17.1711 17.1711 17.1947 17.1947 k = 0.3250 0.5629 0.3034 ( 780 PWs) bands (ev): 8.2326 8.2326 8.2454 8.2454 8.3661 8.3661 8.4050 8.4050 8.8043 8.8043 8.9237 8.9237 9.6961 9.6961 9.8357 9.8357 10.5846 10.5846 10.6141 10.6141 15.6639 15.6639 15.6743 15.6743 17.2120 17.2120 17.2337 17.2337 k = 0.3208 0.5557 0.3034 ( 786 PWs) bands (ev): 8.2091 8.2091 8.2150 8.2150 8.3939 8.3939 8.4247 8.4247 8.8054 8.8054 8.9229 8.9229 9.6976 9.6976 9.8360 9.8360 10.5862 10.5862 10.6153 10.6153 15.5727 15.5727 15.5807 15.5807 17.2805 17.2805 17.2997 17.2997 k = 0.3167 0.5485 0.3034 ( 786 PWs) bands (ev): 8.1832 8.1832 8.1850 8.1850 8.4205 8.4205 8.4455 8.4455 8.8073 8.8073 8.9221 8.9221 9.6995 9.6995 9.8363 9.8363 10.5886 10.5886 10.6171 10.6171 15.4545 15.4545 15.4599 15.4599 17.3723 17.3723 17.3886 17.3886 k = 0.3125 0.5413 0.3034 ( 786 PWs) bands (ev): 8.1554 8.1554 8.1562 8.1562 8.4456 8.4456 8.4659 8.4659 8.8099 8.8099 8.9212 8.9212 9.7014 9.7014 9.8363 9.8363 10.5916 10.5916 10.6196 10.6196 15.3164 15.3164 15.3194 15.3194 17.4822 17.4822 17.4958 17.4958 k = 0.3083 0.5340 0.3034 ( 786 PWs) bands (ev): 8.1260 8.1260 8.1287 8.1287 8.4691 8.4691 8.4849 8.4849 8.8135 8.8135 8.9206 8.9206 9.7032 9.7032 9.8359 9.8359 10.5954 10.5954 10.6226 10.6226 15.1644 15.1644 15.1652 15.1652 17.6058 17.6058 17.6169 17.6169 k = 0.3042 0.5268 0.3034 ( 786 PWs) bands (ev): 8.0970 8.0970 8.1009 8.1009 8.4909 8.4909 8.5021 8.5021 8.8183 8.8183 8.9203 8.9203 9.7047 9.7047 9.8350 9.8350 10.5999 10.5999 10.6262 10.6262 15.0021 15.0021 15.0032 15.0032 17.7398 17.7398 17.7486 17.7486 k = 0.3000 0.5196 0.3034 ( 786 PWs) bands (ev): 8.0682 8.0682 8.0730 8.0730 8.5109 8.5109 8.5171 8.5171 8.8242 8.8242 8.9205 8.9205 9.7058 9.7058 9.8336 9.8336 10.6049 10.6049 10.6303 10.6303 14.8332 14.8332 14.8360 14.8360 17.8819 17.8819 17.8886 17.8886 k = 0.2958 0.5124 0.3034 ( 786 PWs) bands (ev): 8.0397 8.0397 8.0451 8.0451 8.5290 8.5290 8.5300 8.5300 8.8313 8.8313 8.9212 8.9212 9.7064 9.7064 9.8316 9.8316 10.6106 10.6106 10.6348 10.6348 14.6610 14.6610 14.6652 14.6652 18.0304 18.0304 18.0352 18.0352 k = 0.2917 0.5052 0.3034 ( 786 PWs) bands (ev): 8.0114 8.0114 8.0173 8.0173 8.5406 8.5406 8.5451 8.5451 8.8397 8.8397 8.9226 8.9226 9.7066 9.7066 9.8289 9.8289 10.6167 10.6167 10.6398 10.6398 14.4871 14.4871 14.4926 14.4926 18.1841 18.1841 18.1873 18.1873 k = 0.2875 0.4980 0.3034 ( 790 PWs) bands (ev): 7.9831 7.9831 7.9893 7.9893 8.5487 8.5487 8.5590 8.5590 8.8491 8.8491 8.9246 8.9246 9.7061 9.7061 9.8257 9.8257 10.6231 10.6231 10.6451 10.6451 14.3128 14.3128 14.3196 14.3196 18.3422 18.3422 18.3440 18.3440 k = 0.2833 0.4907 0.3034 ( 790 PWs) bands (ev): 7.9550 7.9550 7.9614 7.9614 8.5551 8.5551 8.5712 8.5712 8.8593 8.8593 8.9273 8.9273 9.7053 9.7053 9.8220 9.8220 10.6298 10.6298 10.6507 10.6507 14.1391 14.1391 14.1470 14.1470 18.5042 18.5042 18.5046 18.5046 k = 0.2792 0.4835 0.3034 ( 786 PWs) bands (ev): 7.9269 7.9269 7.9334 7.9334 8.5599 8.5599 8.5816 8.5816 8.8701 8.8701 8.9307 8.9307 9.7041 9.7041 9.8180 9.8180 10.6367 10.6367 10.6564 10.6564 13.9667 13.9667 13.9757 13.9757 18.6688 18.6688 18.6696 18.6696 k = 0.2750 0.4763 0.3034 ( 790 PWs) bands (ev): 7.8984 7.8984 7.9049 7.9049 8.5631 8.5631 8.5901 8.5901 8.8810 8.8810 8.9343 8.9343 9.7023 9.7023 9.8134 9.8134 10.6435 10.6435 10.6621 10.6621 13.7963 13.7963 13.8063 13.8063 18.8362 18.8362 18.8381 18.8381 k = 0.2708 0.4691 0.3034 ( 794 PWs) bands (ev): 7.8698 7.8698 7.8763 7.8763 8.5649 8.5649 8.5969 8.5969 8.8920 8.8920 8.9382 8.9382 9.7004 9.7004 9.8087 9.8087 10.6502 10.6502 10.6676 10.6676 13.6283 13.6283 13.6392 13.6392 19.0066 19.0066 19.0093 19.0093 k = 0.2667 0.4619 0.3034 ( 794 PWs) bands (ev): 7.8409 7.8409 7.8474 7.8474 8.5659 8.5659 8.6025 8.6025 8.9026 8.9026 8.9420 8.9420 9.6985 9.6985 9.8039 9.8039 10.6567 10.6567 10.6730 10.6730 13.4631 13.4631 13.4750 13.4750 19.1797 19.1797 19.1832 19.1832 k = 0.2625 0.4547 0.3034 ( 798 PWs) bands (ev): 7.8115 7.8115 7.8178 7.8178 8.5661 8.5661 8.6068 8.6068 8.9124 8.9124 8.9455 8.9455 9.6965 9.6965 9.7992 9.7992 10.6628 10.6628 10.6781 10.6781 13.3011 13.3011 13.3139 13.3139 19.3554 19.3554 19.3595 19.3595 k = 0.2583 0.4474 0.3034 ( 802 PWs) bands (ev): 7.7815 7.7815 7.7876 7.7876 8.5658 8.5658 8.6100 8.6100 8.9214 8.9214 8.9485 8.9485 9.6948 9.6948 9.7947 9.7947 10.6684 10.6684 10.6827 10.6827 13.1426 13.1426 13.1563 13.1563 19.5335 19.5335 19.5381 19.5381 k = 0.2542 0.4402 0.3034 ( 802 PWs) bands (ev): 7.7508 7.7508 7.7567 7.7567 8.5650 8.5650 8.6124 8.6124 8.9297 8.9297 8.9512 8.9512 9.6934 9.6934 9.7906 9.7906 10.6734 10.6734 10.6869 10.6869 12.9878 12.9878 13.0025 13.0025 19.7141 19.7141 19.7188 19.7188 k = 0.2500 0.4330 0.3034 ( 806 PWs) bands (ev): 7.7189 7.7189 7.7246 7.7246 8.5640 8.5640 8.6140 8.6140 8.9370 8.9370 8.9531 8.9531 9.6925 9.6925 9.7869 9.7869 10.6777 10.6777 10.6903 10.6903 12.8371 12.8371 12.8526 12.8526 19.8969 19.8969 19.9017 19.9017 k = 0.2458 0.4258 0.3034 ( 810 PWs) bands (ev): 7.6862 7.6862 7.6915 7.6915 8.5628 8.5628 8.6151 8.6151 8.9430 8.9430 8.9540 8.9540 9.6920 9.6920 9.7836 9.7836 10.6813 10.6813 10.6931 10.6931 12.6906 12.6906 12.7070 12.7070 20.0820 20.0820 20.0865 20.0865 k = 0.2417 0.4186 0.3034 ( 810 PWs) bands (ev): 7.6522 7.6522 7.6572 7.6572 8.5616 8.5616 8.6158 8.6158 8.9479 8.9479 8.9541 8.9541 9.6923 9.6923 9.7811 9.7811 10.6839 10.6839 10.6950 10.6950 12.5485 12.5485 12.5658 12.5658 20.2692 20.2692 20.2733 20.2733 k = 0.2375 0.4114 0.3034 ( 810 PWs) bands (ev): 7.6169 7.6169 7.6215 7.6215 8.5604 8.5604 8.6161 8.6161 8.9517 8.9517 8.9533 8.9533 9.6933 9.6933 9.7794 9.7794 10.6856 10.6856 10.6959 10.6959 12.4111 12.4111 12.4293 12.4293 20.4585 20.4585 20.4618 20.4618 k = 0.2333 0.4041 0.3034 ( 814 PWs) bands (ev): 7.5799 7.5799 7.5842 7.5842 8.5590 8.5590 8.6160 8.6160 8.9517 8.9517 8.9544 8.9544 9.6950 9.6950 9.7783 9.7783 10.6862 10.6862 10.6958 10.6958 12.2784 12.2784 12.2975 12.2975 20.6499 20.6499 20.6521 20.6521 k = 0.2292 0.3969 0.3034 ( 818 PWs) bands (ev): 7.5412 7.5412 7.5450 7.5450 8.5579 8.5579 8.6158 8.6158 8.9493 8.9493 8.9560 8.9560 9.6974 9.6974 9.7780 9.7780 10.6856 10.6856 10.6947 10.6947 12.1507 12.1507 12.1707 12.1707 20.8433 20.8433 20.8440 20.8440 k = 0.2250 0.3897 0.3034 ( 818 PWs) bands (ev): 7.5007 7.5007 7.5041 7.5041 8.5570 8.5570 8.6155 8.6155 8.9464 8.9464 8.9568 8.9568 9.7005 9.7005 9.7784 9.7784 10.6839 10.6839 10.6924 10.6924 12.0281 12.0281 12.0490 12.0490 21.0376 21.0376 21.0386 21.0386 k = 0.2208 0.3825 0.3034 ( 818 PWs) bands (ev): 7.4582 7.4582 7.4611 7.4611 8.5562 8.5562 8.6150 8.6150 8.9431 8.9431 8.9569 8.9569 9.7042 9.7042 9.7795 9.7795 10.6810 10.6810 10.6888 10.6888 11.9108 11.9108 11.9326 11.9326 21.2326 21.2326 21.2358 21.2358 k = 0.2167 0.3753 0.3034 ( 814 PWs) bands (ev): 7.4135 7.4135 7.4161 7.4161 8.5557 8.5557 8.6145 8.6145 8.9396 8.9396 8.9564 8.9564 9.7085 9.7085 9.7813 9.7813 10.6768 10.6768 10.6842 10.6842 11.7989 11.7989 11.8215 11.8215 21.4291 21.4291 21.4348 21.4348 k = 0.2125 0.3681 0.3034 ( 814 PWs) bands (ev): 7.3666 7.3666 7.3688 7.3688 8.5554 8.5554 8.6138 8.6138 8.9362 8.9362 8.9556 8.9556 9.7131 9.7131 9.7835 9.7835 10.6711 10.6711 10.6779 10.6779 11.6925 11.6925 11.7160 11.7160 21.6270 21.6270 21.6356 21.6356 k = 0.2083 0.3608 0.3034 ( 806 PWs) bands (ev): 7.3175 7.3175 7.3192 7.3192 8.5555 8.5555 8.6133 8.6133 8.9331 8.9331 8.9547 8.9547 9.7183 9.7183 9.7863 9.7863 10.6639 10.6639 10.6703 10.6703 11.5918 11.5918 11.6160 11.6160 21.8262 21.8262 21.8381 21.8381 k = 0.2042 0.3536 0.3034 ( 806 PWs) bands (ev): 7.2659 7.2659 7.2673 7.2673 8.5556 8.5556 8.6125 8.6125 8.9304 8.9304 8.9538 8.9538 9.7232 9.7232 9.7890 9.7890 10.6550 10.6550 10.6610 10.6610 11.4968 11.4968 11.5218 11.5218 22.0265 22.0265 22.0421 22.0421 k = 0.2000 0.3464 0.3034 ( 806 PWs) bands (ev): 7.2119 7.2119 7.2130 7.2130 8.5561 8.5561 8.6118 8.6118 8.9282 8.9282 8.9530 8.9530 9.7282 9.7282 9.7917 9.7917 10.6445 10.6445 10.6501 10.6501 11.4077 11.4077 11.4333 11.4333 22.2280 22.2280 22.2475 22.2475 k = 0.1958 0.3392 0.3034 ( 806 PWs) bands (ev): 7.1556 7.1556 7.1564 7.1564 8.5568 8.5568 8.6111 8.6111 8.9269 8.9269 8.9527 8.9527 9.7329 9.7329 9.7943 9.7943 10.6322 10.6322 10.6374 10.6374 11.3246 11.3246 11.3507 11.3507 22.4304 22.4304 22.4543 22.4543 k = 0.1917 0.3320 0.3034 ( 802 PWs) bands (ev): 7.0971 7.0971 7.0976 7.0976 8.5580 8.5580 8.6105 8.6105 8.9264 8.9264 8.9528 8.9528 9.7373 9.7373 9.7967 9.7967 10.6182 10.6182 10.6232 10.6232 11.2476 11.2476 11.2742 11.2742 22.6335 22.6335 22.6621 22.6621 k = 0.1875 0.3248 0.3034 ( 802 PWs) bands (ev): 7.0363 7.0363 7.0365 7.0365 8.5594 8.5594 8.6100 8.6100 8.9269 8.9269 8.9535 8.9535 9.7411 9.7411 9.7985 9.7985 10.6022 10.6022 10.6070 10.6070 11.1767 11.1767 11.2035 11.2035 22.8370 22.8370 22.8707 22.8707 k = 0.1833 0.3175 0.3034 ( 802 PWs) bands (ev): 6.9734 6.9734 6.9734 6.9734 8.5613 8.5613 8.6098 8.6098 8.9284 8.9284 8.9548 8.9548 9.7441 9.7441 9.7996 9.7996 10.5844 10.5844 10.5890 10.5890 11.1119 11.1119 11.1388 11.1388 23.0406 23.0406 23.0797 23.0797 k = 0.1792 0.3103 0.3034 ( 802 PWs) bands (ev): 6.9085 6.9085 6.9085 6.9085 8.5636 8.5636 8.6099 8.6099 8.9309 8.9309 8.9569 8.9569 9.7463 9.7463 9.7997 9.7997 10.5648 10.5648 10.5694 10.5694 11.0532 11.0532 11.0799 11.0799 23.2434 23.2434 23.2885 23.2885 k = 0.1750 0.3031 0.3034 ( 798 PWs) bands (ev): 6.8417 6.8417 6.8420 6.8420 8.5665 8.5665 8.6105 8.6105 8.9345 8.9345 8.9599 8.9599 9.7474 9.7474 9.7988 9.7988 10.5437 10.5437 10.5483 10.5483 11.0003 11.0003 11.0267 11.0267 23.4445 23.4445 23.4960 23.4960 k = 0.1708 0.2959 0.3034 ( 794 PWs) bands (ev): 6.7735 6.7735 6.7739 6.7739 8.5699 8.5699 8.6116 8.6116 8.9390 8.9390 8.9636 8.9636 9.7472 9.7472 9.7967 9.7967 10.5214 10.5214 10.5261 10.5261 10.9530 10.9530 10.9788 10.9788 23.6423 23.6423 23.7006 23.7006 k = 0.1667 0.2887 0.3034 ( 794 PWs) bands (ev): 6.7039 6.7039 6.7043 6.7043 8.5737 8.5737 8.6130 8.6130 8.9443 8.9443 8.9679 8.9679 9.7456 9.7456 9.7930 9.7930 10.4985 10.4985 10.5032 10.5032 10.9107 10.9107 10.9358 10.9358 23.8343 23.8343 23.8994 23.8994 k = 0.1625 0.2815 0.3034 ( 796 PWs) bands (ev): 6.6332 6.6332 6.6336 6.6336 8.5778 8.5778 8.6148 8.6148 8.9505 8.9505 8.9730 8.9730 9.7424 9.7424 9.7876 9.7876 10.4754 10.4754 10.4800 10.4800 10.8729 10.8729 10.8972 10.8972 24.0164 24.0164 24.0875 24.0875 k = 0.1583 0.2742 0.3034 ( 798 PWs) bands (ev): 6.5615 6.5615 6.5620 6.5620 8.5826 8.5826 8.6172 8.6172 8.9574 8.9574 8.9788 8.9788 9.7375 9.7375 9.7803 9.7803 10.4527 10.4527 10.4572 10.4572 10.8389 10.8389 10.8623 10.8623 24.1825 24.1825 24.2569 24.2569 k = 0.1542 0.2670 0.3034 ( 798 PWs) bands (ev): 6.4892 6.4892 6.4897 6.4897 8.5879 8.5879 8.6203 8.6203 8.9651 8.9651 8.9853 8.9853 9.7309 9.7309 9.7712 9.7712 10.4311 10.4311 10.4352 10.4352 10.8083 10.8083 10.8307 10.8307 24.3242 24.3242 24.3966 24.3966 k = 0.1500 0.2598 0.3034 ( 794 PWs) bands (ev): 6.4165 6.4165 6.4170 6.4170 8.5939 8.5939 8.6241 8.6241 8.9734 8.9734 8.9923 8.9923 9.7224 9.7224 9.7603 9.7603 10.4109 10.4109 10.4146 10.4146 10.7805 10.7805 10.8020 10.8020 24.4323 24.4323 24.4964 24.4964 k = 0.1458 0.2526 0.3034 ( 798 PWs) bands (ev): 6.3435 6.3435 6.3440 6.3440 8.6002 8.6002 8.6283 8.6283 8.9822 8.9822 8.9999 8.9999 9.7120 9.7120 9.7472 9.7472 10.3926 10.3926 10.3955 10.3955 10.7549 10.7549 10.7754 10.7754 24.5012 24.5012 24.5531 24.5531 k = 0.1417 0.2454 0.3034 ( 802 PWs) bands (ev): 6.2705 6.2705 6.2710 6.2710 8.6070 8.6070 8.6330 8.6330 8.9914 8.9914 9.0079 9.0079 9.6998 9.6998 9.7324 9.7324 10.3762 10.3762 10.3783 10.3783 10.7310 10.7310 10.7507 10.7507 24.5326 24.5326 24.5723 24.5723 k = 0.1375 0.2382 0.3034 ( 798 PWs) bands (ev): 6.1977 6.1977 6.1982 6.1982 8.6145 8.6145 8.6387 8.6387 9.0012 9.0012 9.0165 9.0165 9.6860 9.6860 9.7160 9.7160 10.3621 10.3621 10.3632 10.3632 10.7087 10.7087 10.7276 10.7276 24.5340 24.5340 24.5636 24.5636 k = 0.1333 0.2309 0.3034 ( 798 PWs) bands (ev): 6.1253 6.1253 6.1258 6.1258 8.6225 8.6225 8.6448 8.6448 9.0111 9.0111 9.0253 9.0253 9.6707 9.6707 9.6981 9.6981 10.3502 10.3502 10.3502 10.3502 10.6876 10.6876 10.7057 10.7057 24.5139 24.5139 24.5361 24.5361 k = 0.1292 0.2237 0.3034 ( 794 PWs) bands (ev): 6.0536 6.0536 6.0540 6.0540 8.6311 8.6311 8.6517 8.6517 9.0215 9.0215 9.0345 9.0345 9.6541 9.6541 9.6789 9.6789 10.3391 10.3391 10.3402 10.3402 10.6675 10.6675 10.6849 10.6849 24.4797 24.4797 24.4964 24.4964 k = 0.1250 0.2165 0.3034 ( 786 PWs) bands (ev): 5.9826 5.9826 5.9830 5.9830 8.6404 8.6404 8.6594 8.6594 9.0320 9.0320 9.0440 9.0440 9.6364 9.6364 9.6589 9.6589 10.3299 10.3299 10.3320 10.3320 10.6484 10.6484 10.6650 10.6650 24.4363 24.4363 24.4491 24.4491 k = 0.1208 0.2093 0.3034 ( 786 PWs) bands (ev): 5.9126 5.9126 5.9129 5.9129 8.6497 8.6497 8.6672 8.6672 9.0424 9.0424 9.0534 9.0534 9.6178 9.6178 9.6380 9.6380 10.3224 10.3224 10.3255 10.3255 10.6298 10.6298 10.6458 10.6458 24.3873 24.3873 24.3972 24.3972 k = 0.1167 0.2021 0.3034 ( 786 PWs) bands (ev): 5.8436 5.8436 5.8440 5.8440 8.6595 8.6595 8.6756 8.6756 9.0528 9.0528 9.0628 9.0628 9.5986 9.5986 9.6167 9.6167 10.3165 10.3165 10.3204 10.3204 10.6120 10.6120 10.6273 10.6273 24.3349 24.3349 24.3428 24.3428 k = 0.1125 0.1949 0.3034 ( 786 PWs) bands (ev): 5.7760 5.7760 5.7763 5.7763 8.6697 8.6697 8.6844 8.6844 9.0631 9.0631 9.0722 9.0722 9.5789 9.5789 9.5952 9.5952 10.3119 10.3119 10.3165 10.3165 10.5947 10.5947 10.6093 10.6093 24.2809 24.2809 24.2871 24.2871 k = 0.1083 0.1876 0.3034 ( 786 PWs) bands (ev): 5.7098 5.7098 5.7101 5.7101 8.6802 8.6802 8.6936 8.6936 9.0732 9.0732 9.0814 9.0814 9.5591 9.5591 9.5736 9.5736 10.3084 10.3084 10.3138 10.3138 10.5779 10.5779 10.5920 10.5920 24.2261 24.2261 24.2312 24.2312 k = 0.1042 0.1804 0.3034 ( 790 PWs) bands (ev): 5.6452 5.6452 5.6454 5.6454 8.6911 8.6911 8.7033 8.7033 9.0829 9.0829 9.0904 9.0904 9.5393 9.5393 9.5521 9.5521 10.3059 10.3059 10.3118 10.3118 10.5615 10.5615 10.5750 10.5750 24.1715 24.1715 24.1756 24.1756 k = 0.1000 0.1732 0.3034 ( 786 PWs) bands (ev): 5.5822 5.5822 5.5824 5.5824 8.7022 8.7022 8.7133 8.7133 9.0926 9.0926 9.0993 9.0993 9.5197 9.5197 9.5311 9.5311 10.3043 10.3043 10.3107 10.3107 10.5459 10.5459 10.5588 10.5588 24.1175 24.1175 24.1208 24.1208 k = 0.0958 0.1660 0.3034 ( 790 PWs) bands (ev): 5.5211 5.5211 5.5213 5.5213 8.7134 8.7134 8.7234 8.7234 9.1017 9.1017 9.1077 9.1077 9.5004 9.5004 9.5104 9.5104 10.3034 10.3034 10.3101 10.3101 10.5305 10.5305 10.5429 10.5429 24.0646 24.0646 24.0673 24.0673 k = 0.0917 0.1588 0.3034 ( 790 PWs) bands (ev): 5.4619 5.4619 5.4620 5.4620 8.7249 8.7249 8.7339 8.7339 9.1104 9.1104 9.1158 9.1158 9.4816 9.4816 9.4904 9.4904 10.3031 10.3031 10.3100 10.3100 10.5159 10.5159 10.5276 10.5276 24.0130 24.0130 24.0152 24.0152 k = 0.0875 0.1516 0.3034 ( 790 PWs) bands (ev): 5.4047 5.4047 5.4048 5.4048 8.7365 8.7365 8.7446 8.7446 9.1186 9.1186 9.1234 9.1234 9.4633 9.4633 9.4711 9.4711 10.3032 10.3032 10.3102 10.3102 10.5018 10.5018 10.5129 10.5129 23.9630 23.9630 23.9648 23.9648 k = 0.0833 0.1443 0.3034 ( 790 PWs) bands (ev): 5.3496 5.3496 5.3497 5.3497 8.7483 8.7483 8.7555 8.7555 9.1262 9.1262 9.1304 9.1304 9.4458 9.4458 9.4526 9.4526 10.3037 10.3037 10.3107 10.3107 10.4882 10.4882 10.4987 10.4987 23.9147 23.9147 23.9162 23.9162 k = 0.0792 0.1371 0.3034 ( 798 PWs) bands (ev): 5.2967 5.2967 5.2968 5.2968 8.7600 8.7600 8.7664 8.7664 9.1330 9.1330 9.1367 9.1367 9.4290 9.4290 9.4349 9.4349 10.3043 10.3043 10.3113 10.3113 10.4750 10.4750 10.4850 10.4850 23.8683 23.8683 23.8695 23.8695 k = 0.0750 0.1299 0.3034 ( 794 PWs) bands (ev): 5.2461 5.2461 5.2462 5.2462 8.7718 8.7718 8.7775 8.7775 9.1393 9.1393 9.1425 9.1425 9.4134 9.4134 9.4185 9.4185 10.3053 10.3053 10.3121 10.3121 10.4627 10.4627 10.4720 10.4720 23.8240 23.8240 23.8249 23.8249 k = 0.0708 0.1227 0.3034 ( 794 PWs) bands (ev): 5.1978 5.1978 5.1979 5.1979 8.7835 8.7835 8.7884 8.7884 9.1447 9.1447 9.1475 9.1475 9.3986 9.3986 9.4030 9.4030 10.3063 10.3063 10.3129 10.3129 10.4510 10.4510 10.4597 10.4597 23.7817 23.7817 23.7825 23.7825 k = 0.0667 0.1155 0.3034 ( 794 PWs) bands (ev): 5.1520 5.1520 5.1521 5.1521 8.7951 8.7951 8.7994 8.7994 9.1493 9.1493 9.1517 9.1517 9.3849 9.3849 9.3886 9.3886 10.3074 10.3074 10.3137 10.3137 10.4401 10.4401 10.4480 10.4480 23.7416 23.7416 23.7422 23.7422 k = 0.0625 0.1083 0.3034 ( 792 PWs) bands (ev): 5.1087 5.1087 5.1087 5.1087 8.8065 8.8065 8.8101 8.8101 9.1531 9.1531 9.1551 9.1551 9.3724 9.3724 9.3755 9.3755 10.3084 10.3084 10.3143 10.3143 10.4299 10.4299 10.4372 10.4372 23.7037 23.7037 23.7042 23.7042 k = 0.0583 0.1010 0.3034 ( 792 PWs) bands (ev): 5.0679 5.0679 5.0679 5.0679 8.8176 8.8176 8.8207 8.8207 9.1560 9.1560 9.1577 9.1577 9.3610 9.3610 9.3636 9.3636 10.3094 10.3094 10.3149 10.3149 10.4204 10.4204 10.4270 10.4270 23.6681 23.6681 23.6685 23.6685 k = 0.0542 0.0938 0.3034 ( 796 PWs) bands (ev): 5.0297 5.0297 5.0297 5.0297 8.8283 8.8283 8.8309 8.8309 9.1578 9.1578 9.1592 9.1592 9.3507 9.3507 9.3529 9.3529 10.3103 10.3103 10.3152 10.3152 10.4117 10.4117 10.4175 10.4175 23.6348 23.6348 23.6351 23.6351 k = 0.0500 0.0866 0.3034 ( 796 PWs) bands (ev): 4.9942 4.9942 4.9942 4.9942 8.8388 8.8388 8.8409 8.8409 9.1590 9.1590 9.1602 9.1602 9.3417 9.3417 9.3434 9.3434 10.3110 10.3110 10.3154 10.3154 10.4038 10.4038 10.4089 10.4089 23.6039 23.6039 23.6041 23.6041 k = 0.0458 0.0794 0.3034 ( 796 PWs) bands (ev): 4.9613 4.9613 4.9613 4.9613 8.8487 8.8487 8.8505 8.8505 9.1594 9.1594 9.1604 9.1604 9.3339 9.3339 9.3352 9.3352 10.3115 10.3115 10.3153 10.3153 10.3968 10.3968 10.4011 10.4011 23.5753 23.5753 23.5755 23.5755 k = 0.0417 0.0722 0.3034 ( 796 PWs) bands (ev): 4.9312 4.9312 4.9312 4.9312 8.8582 8.8582 8.8595 8.8595 9.1591 9.1591 9.1599 9.1599 9.3272 9.3272 9.3282 9.3282 10.3118 10.3118 10.3150 10.3150 10.3907 10.3907 10.3942 10.3942 23.5492 23.5492 23.5493 23.5493 k = 0.0375 0.0650 0.3034 ( 796 PWs) bands (ev): 4.9039 4.9039 4.9039 4.9039 8.8671 8.8671 8.8681 8.8681 9.1582 9.1582 9.1588 9.1588 9.3215 9.3215 9.3222 9.3222 10.3119 10.3119 10.3144 10.3144 10.3853 10.3853 10.3882 10.3882 23.5255 23.5255 23.5256 23.5256 k = 0.0333 0.0577 0.3034 ( 800 PWs) bands (ev): 4.8793 4.8793 4.8793 4.8793 8.8752 8.8752 8.8759 8.8759 9.1569 9.1569 9.1573 9.1573 9.3165 9.3165 9.3171 9.3171 10.3117 10.3117 10.3136 10.3136 10.3809 10.3809 10.3830 10.3830 23.5042 23.5042 23.5043 23.5043 k = 0.0292 0.0505 0.3034 ( 800 PWs) bands (ev): 4.8576 4.8576 4.8576 4.8576 8.8826 8.8826 8.8831 8.8831 9.1553 9.1553 9.1556 9.1556 9.3126 9.3126 9.3129 9.3129 10.3113 10.3113 10.3126 10.3126 10.3772 10.3772 10.3787 10.3787 23.4854 23.4854 23.4854 23.4854 k = 0.0250 0.0433 0.3034 ( 800 PWs) bands (ev): 4.8387 4.8387 4.8387 4.8387 8.8892 8.8892 8.8895 8.8895 9.1536 9.1536 9.1537 9.1537 9.3094 9.3094 9.3096 9.3096 10.3107 10.3107 10.3116 10.3116 10.3742 10.3742 10.3752 10.3752 23.4691 23.4691 23.4691 23.4691 k = 0.0208 0.0361 0.3034 ( 800 PWs) bands (ev): 4.8227 4.8227 4.8227 4.8227 8.8949 8.8949 8.8951 8.8951 9.1518 9.1518 9.1520 9.1520 9.3068 9.3068 9.3069 9.3069 10.3100 10.3100 10.3106 10.3106 10.3718 10.3718 10.3724 10.3724 23.4553 23.4553 23.4553 23.4553 k = 0.0167 0.0289 0.3034 ( 804 PWs) bands (ev): 4.8096 4.8096 4.8096 4.8096 8.8997 8.8997 8.8998 8.8998 9.1502 9.1502 9.1503 9.1503 9.3047 9.3047 9.3048 9.3048 10.3092 10.3092 10.3095 10.3095 10.3698 10.3698 10.3702 10.3702 23.4439 23.4439 23.4440 23.4440 k = 0.0125 0.0217 0.3034 ( 804 PWs) bands (ev): 4.7993 4.7993 4.7993 4.7993 8.9035 8.9035 8.9035 8.9035 9.1489 9.1489 9.1489 9.1489 9.3032 9.3032 9.3033 9.3033 10.3085 10.3085 10.3087 10.3087 10.3685 10.3685 10.3686 10.3686 23.4351 23.4351 23.4351 23.4351 k = 0.0083 0.0144 0.3034 ( 808 PWs) bands (ev): 4.7920 4.7920 4.7920 4.7920 8.9060 8.9060 8.9060 8.9060 9.1478 9.1478 9.1478 9.1478 9.3021 9.3021 9.3022 9.3022 10.3079 10.3079 10.3080 10.3080 10.3675 10.3675 10.3676 10.3676 23.4288 23.4288 23.4288 23.4288 k = 0.0042 0.0072 0.3034 ( 804 PWs) bands (ev): 4.7876 4.7876 4.7876 4.7876 8.9077 8.9077 8.9077 8.9077 9.1473 9.1473 9.1473 9.1473 9.3016 9.3016 9.3016 9.3016 10.3076 10.3076 10.3076 10.3076 10.3670 10.3670 10.3670 10.3670 23.4250 23.4250 23.4250 23.4250 k = 0.0000 0.0000 0.3034 ( 796 PWs) bands (ev): 4.7862 4.7862 4.7862 4.7862 8.9084 8.9084 8.9084 8.9084 9.1473 9.1473 9.1473 9.1473 9.3017 9.3017 9.3017 9.3017 10.3076 10.3076 10.3076 10.3076 10.3669 10.3669 10.3669 10.3669 23.4238 23.4238 23.4238 23.4238 k = 0.5000 0.2887 0.3034 ( 796 PWs) bands (ev): 7.2779 7.2779 7.2779 7.2779 8.3494 8.3494 8.3494 8.3494 9.8766 9.8766 9.8766 9.8766 10.3271 10.3271 10.3271 10.3271 10.7183 10.7183 10.7183 10.7183 12.2472 12.2472 12.2472 12.2472 16.5986 16.5986 16.5986 16.5986 k = 0.5000 0.2887 0.2952 ( 796 PWs) bands (ev): 7.2626 7.2626 7.2940 7.2940 8.3396 8.3396 8.3589 8.3589 9.8458 9.8458 9.9075 9.9075 10.2725 10.2725 10.3810 10.3810 10.7162 10.7162 10.7206 10.7206 12.1773 12.1773 12.3170 12.3170 16.5998 16.5998 16.6032 16.6032 k = 0.5000 0.2887 0.2870 ( 796 PWs) bands (ev): 7.2481 7.2481 7.3107 7.3107 8.3295 8.3295 8.3677 8.3677 9.8152 9.8152 9.9384 9.9384 10.2177 10.2177 10.4335 10.4335 10.7143 10.7143 10.7233 10.7233 12.1076 12.1076 12.3862 12.3862 16.6066 16.6066 16.6135 16.6135 k = 0.5000 0.2887 0.2788 ( 796 PWs) bands (ev): 7.2344 7.2344 7.3280 7.3280 8.3195 8.3195 8.3757 8.3757 9.7846 9.7846 9.9691 9.9691 10.1634 10.1634 10.4838 10.4838 10.7126 10.7126 10.7265 10.7265 12.0387 12.0387 12.4545 12.4545 16.6190 16.6190 16.6295 16.6295 k = 0.5000 0.2887 0.2706 ( 792 PWs) bands (ev): 7.2217 7.2217 7.3458 7.3458 8.3097 8.3097 8.3828 8.3828 9.7544 9.7544 9.9998 9.9998 10.1103 10.1103 10.5309 10.5309 10.7112 10.7112 10.7304 10.7304 11.9714 11.9714 12.5215 12.5215 16.6369 16.6369 16.6514 16.6514 k = 0.5000 0.2887 0.2624 ( 792 PWs) bands (ev): 7.2098 7.2098 7.3640 7.3640 8.3002 8.3002 8.3886 8.3886 9.7243 9.7243 10.0262 10.0262 10.0622 10.0622 10.5732 10.5732 10.7100 10.7100 10.7355 10.7355 11.9064 11.9064 12.5869 12.5869 16.6604 16.6604 16.6791 16.6791 k = 0.5000 0.2887 0.2542 ( 792 PWs) bands (ev): 7.1990 7.1990 7.3825 7.3825 8.2914 8.2914 8.3929 8.3929 9.6945 9.6945 10.0018 10.0018 10.0665 10.0665 10.6090 10.6090 10.7093 10.7093 10.7423 10.7423 11.8447 11.8447 12.6507 12.6507 16.6893 16.6893 16.7126 16.7126 k = 0.5000 0.2887 0.2460 ( 792 PWs) bands (ev): 7.1891 7.1891 7.4011 7.4011 8.2834 8.2834 8.3957 8.3957 9.6648 9.6648 9.9543 9.9543 10.0955 10.0955 10.6364 10.6364 10.7091 10.7091 10.7514 10.7514 11.7875 11.7875 12.7124 12.7124 16.7237 16.7237 16.7520 16.7520 k = 0.5000 0.2887 0.2378 ( 796 PWs) bands (ev): 7.1802 7.1802 7.4195 7.4195 8.2763 8.2763 8.3965 8.3965 9.6355 9.6355 9.9079 9.9079 10.1252 10.1252 10.6545 10.6545 10.7094 10.7094 10.7623 10.7623 11.7362 11.7362 12.7720 12.7720 16.7634 16.7634 16.7973 16.7973 k = 0.5000 0.2887 0.2296 ( 796 PWs) bands (ev): 7.1723 7.1723 7.4380 7.4380 8.2706 8.2706 8.3954 8.3954 9.6065 9.6065 9.8638 9.8638 10.1552 10.1552 10.6640 10.6640 10.7102 10.7102 10.7726 10.7726 11.6924 11.6924 12.8293 12.8293 16.8085 16.8085 16.8484 16.8484 k = 0.5000 0.2887 0.2214 ( 798 PWs) bands (ev): 7.1656 7.1656 7.4560 7.4560 8.2664 8.2664 8.3921 8.3921 9.5780 9.5780 9.8222 9.8222 10.1850 10.1850 10.6672 10.6672 10.7108 10.7108 10.7792 10.7792 11.6577 11.6577 12.8841 12.8841 16.8588 16.8588 16.9052 16.9052 k = 0.5000 0.2887 0.2132 ( 798 PWs) bands (ev): 7.1599 7.1599 7.4736 7.4736 8.2640 8.2640 8.3865 8.3865 9.5499 9.5499 9.7837 9.7837 10.2144 10.2144 10.6655 10.6655 10.7107 10.7107 10.7799 10.7799 11.6332 11.6332 12.9365 12.9365 16.9144 16.9144 16.9679 16.9679 k = 0.5000 0.2887 0.2050 ( 794 PWs) bands (ev): 7.1554 7.1554 7.4905 7.4905 8.2635 8.2635 8.3786 8.3786 9.5227 9.5227 9.7483 9.7483 10.2435 10.2435 10.6587 10.6587 10.7094 10.7094 10.7750 10.7750 11.6195 11.6195 12.9863 12.9863 16.9751 16.9751 17.0361 17.0361 k = 0.5000 0.2887 0.1968 ( 798 PWs) bands (ev): 7.1517 7.1517 7.5064 7.5064 8.2646 8.2646 8.3681 8.3681 9.4961 9.4961 9.7159 9.7159 10.2719 10.2719 10.6447 10.6447 10.7066 10.7066 10.7670 10.7670 11.6160 11.6160 13.0334 13.0334 17.0408 17.0408 17.1099 17.1099 k = 0.5000 0.2887 0.1886 ( 798 PWs) bands (ev): 7.1493 7.1493 7.5212 7.5212 8.2680 8.2680 8.3558 8.3558 9.4704 9.4704 9.6867 9.6867 10.2997 10.2997 10.6207 10.6207 10.7029 10.7029 10.7595 10.7595 11.6217 11.6217 13.0779 13.0779 17.1115 17.1115 17.1890 17.1890 k = 0.5000 0.2887 0.1804 ( 794 PWs) bands (ev): 7.1481 7.1481 7.5348 7.5348 8.2730 8.2730 8.3422 8.3422 9.4459 9.4459 9.6606 9.6606 10.3267 10.3267 10.5854 10.5854 10.6991 10.6991 10.7546 10.7546 11.6349 11.6349 13.1198 13.1198 17.1870 17.1870 17.2734 17.2734 k = 0.5000 0.2887 0.1722 ( 794 PWs) bands (ev): 7.1478 7.1478 7.5470 7.5470 8.2772 8.2772 8.3298 8.3298 9.4224 9.4224 9.6372 9.6372 10.3527 10.3527 10.5403 10.5403 10.6959 10.6959 10.7521 10.7521 11.6538 11.6538 13.1590 13.1590 17.2672 17.2672 17.3628 17.3628 k = 0.5000 0.2887 0.1640 ( 790 PWs) bands (ev): 7.1488 7.1488 7.5577 7.5577 8.2745 8.2745 8.3251 8.3251 9.4002 9.4002 9.6165 9.6165 10.3771 10.3771 10.4887 10.4887 10.6932 10.6932 10.7514 10.7514 11.6767 11.6767 13.1957 13.1957 17.3520 17.3520 17.4570 17.4570 k = 0.5000 0.2887 0.1558 ( 790 PWs) bands (ev): 7.1507 7.1507 7.5671 7.5671 8.2601 8.2601 8.3328 8.3328 9.3792 9.3792 9.5984 9.5984 10.3931 10.3931 10.4388 10.4388 10.6909 10.6909 10.7514 10.7514 11.7022 11.7022 13.2299 13.2299 17.4411 17.4411 17.5557 17.5557 k = 0.5000 0.2887 0.1476 ( 790 PWs) bands (ev): 7.1536 7.1536 7.5748 7.5748 8.2386 8.2386 8.3490 8.3490 9.3596 9.3596 9.5827 9.5827 10.3574 10.3574 10.4359 10.4359 10.6890 10.6890 10.7520 10.7520 11.7293 11.7293 13.2616 13.2616 17.5344 17.5344 17.6588 17.6588 k = 0.5000 0.2887 0.1394 ( 790 PWs) bands (ev): 7.1576 7.1576 7.5810 7.5810 8.2136 8.2136 8.3703 8.3703 9.3411 9.3411 9.5692 9.5692 10.2951 10.2951 10.4559 10.4559 10.6873 10.6873 10.7530 10.7530 11.7571 11.7571 13.2909 13.2909 17.6315 17.6315 17.7658 17.7658 k = 0.5000 0.2887 0.1312 ( 790 PWs) bands (ev): 7.1625 7.1625 7.5858 7.5858 8.1865 8.1865 8.3954 8.3954 9.3240 9.3240 9.5577 9.5577 10.2287 10.2287 10.4770 10.4770 10.6857 10.6857 10.7542 10.7542 11.7849 11.7849 13.3180 13.3180 17.7322 17.7322 17.8764 17.8764 k = 0.5000 0.2887 0.1230 ( 798 PWs) bands (ev): 7.1681 7.1681 7.5891 7.5891 8.1579 8.1579 8.4237 8.4237 9.3077 9.3077 9.5479 9.5479 10.1606 10.1606 10.4975 10.4975 10.6842 10.6842 10.7556 10.7556 11.8122 11.8122 13.3429 13.3429 17.8361 17.8361 17.9902 17.9902 k = 0.5000 0.2887 0.1148 ( 802 PWs) bands (ev): 7.1748 7.1748 7.5915 7.5915 8.1286 8.1286 8.4551 8.4551 9.2927 9.2927 9.5398 9.5398 10.0916 10.0916 10.5169 10.5169 10.6827 10.6827 10.7571 10.7571 11.8387 11.8387 13.3656 13.3656 17.9428 17.9428 18.1069 18.1069 k = 0.5000 0.2887 0.1066 ( 800 PWs) bands (ev): 7.1824 7.1824 7.5929 7.5929 8.0988 8.0988 8.4894 8.4894 9.2791 9.2791 9.5333 9.5333 10.0223 10.0223 10.5353 10.5353 10.6814 10.6814 10.7588 10.7588 11.8640 11.8640 13.3864 13.3864 18.0517 18.0517 18.2258 18.2258 k = 0.5000 0.2887 0.0984 ( 800 PWs) bands (ev): 7.1906 7.1906 7.5936 7.5936 8.0689 8.0689 8.5263 8.5263 9.2664 9.2664 9.5281 9.5281 9.9529 9.9529 10.5525 10.5525 10.6802 10.6802 10.7606 10.7606 11.8880 11.8880 13.4052 13.4052 18.1622 18.1622 18.3463 18.3463 k = 0.5000 0.2887 0.0902 ( 806 PWs) bands (ev): 7.1994 7.1994 7.5935 7.5935 8.0391 8.0391 8.5655 8.5655 9.2545 9.2545 9.5239 9.5239 9.8836 9.8836 10.5680 10.5680 10.6790 10.6790 10.7625 10.7625 11.9104 11.9104 13.4222 13.4222 18.2736 18.2736 18.4679 18.4679 k = 0.5000 0.2887 0.0820 ( 806 PWs) bands (ev): 7.2087 7.2087 7.5931 7.5931 8.0102 8.0102 8.6070 8.6070 9.2437 9.2437 9.5205 9.5205 9.8150 9.8150 10.5826 10.5826 10.6779 10.6779 10.7645 10.7645 11.9311 11.9311 13.4374 13.4374 18.3849 18.3849 18.5896 18.5896 k = 0.5000 0.2887 0.0738 ( 806 PWs) bands (ev): 7.2183 7.2183 7.5923 7.5923 7.9822 7.9822 8.6505 8.6505 9.2339 9.2339 9.5179 9.5179 9.7472 9.7472 10.5958 10.5958 10.6768 10.6768 10.7664 10.7664 11.9500 11.9500 13.4510 13.4510 18.4952 18.4952 18.7103 18.7103 k = 0.5000 0.2887 0.0656 ( 810 PWs) bands (ev): 7.2280 7.2280 7.5912 7.5912 7.9556 7.9556 8.6957 8.6957 9.2248 9.2248 9.5155 9.5155 9.6804 9.6804 10.6076 10.6076 10.6757 10.6757 10.7684 10.7684 11.9671 11.9671 13.4629 13.4629 18.6029 18.6029 18.8289 18.8289 k = 0.5000 0.2887 0.0574 ( 810 PWs) bands (ev): 7.2376 7.2376 7.5901 7.5901 7.9308 7.9308 8.7426 8.7426 9.2167 9.2167 9.5129 9.5129 9.6157 9.6157 10.6181 10.6181 10.6746 10.6746 10.7704 10.7704 11.9823 11.9823 13.4733 13.4733 18.7067 18.7067 18.9437 18.9437 k = 0.5000 0.2887 0.0492 ( 810 PWs) bands (ev): 7.2469 7.2469 7.5889 7.5889 7.9082 7.9082 8.7910 8.7910 9.2094 9.2094 9.5069 9.5069 9.5563 9.5563 10.6274 10.6274 10.6734 10.6734 10.7723 10.7723 11.9955 11.9955 13.4822 13.4822 18.8045 18.8045 19.0527 19.0527 k = 0.5000 0.2887 0.0410 ( 808 PWs) bands (ev): 7.2555 7.2555 7.5879 7.5879 7.8882 7.8882 8.8404 8.8404 9.2027 9.2027 9.4759 9.4759 9.5243 9.5243 10.6354 10.6354 10.6721 10.6721 10.7740 10.7740 12.0067 12.0067 13.4896 13.4896 18.8941 18.8941 19.1535 19.1535 k = 0.5000 0.2887 0.0328 ( 808 PWs) bands (ev): 7.2632 7.2632 7.5869 7.5869 7.8710 7.8710 8.8902 8.8902 9.1963 9.1963 9.4215 9.4215 9.5188 9.5188 10.6422 10.6422 10.6707 10.6707 10.7755 10.7755 12.0159 12.0159 13.4956 13.4956 18.9730 18.9730 19.2433 19.2433 k = 0.5000 0.2887 0.0246 ( 806 PWs) bands (ev): 7.2696 7.2696 7.5861 7.5861 7.8573 7.8573 8.9395 8.9395 9.1894 9.1894 9.3678 9.3678 9.5172 9.5172 10.6479 10.6479 10.6692 10.6692 10.7768 10.7768 12.0231 12.0231 13.5003 13.5003 19.0384 19.0384 19.3185 19.3185 k = 0.5000 0.2887 0.0164 ( 802 PWs) bands (ev): 7.2744 7.2744 7.5856 7.5856 7.8478 7.8478 8.9861 8.9861 9.1807 9.1807 9.3215 9.3215 9.5163 9.5163 10.6526 10.6526 10.6676 10.6676 10.7778 10.7778 12.0282 12.0282 13.5036 13.5036 19.0876 19.0876 19.3758 19.3758 k = 0.5000 0.2887 0.0082 ( 802 PWs) bands (ev): 7.2774 7.2774 7.5852 7.5852 7.8416 7.8416 9.0246 9.0246 9.1694 9.1694 9.2891 9.2891 9.5160 9.5160 10.6561 10.6561 10.6659 10.6659 10.7784 10.7784 12.0313 12.0313 13.5056 13.5056 19.1182 19.1182 19.4118 19.4118 k = 0.5000 0.2887-0.0000 ( 802 PWs) bands (ev): 7.2784 7.2784 7.5851 7.5851 7.8394 7.8394 9.0415 9.0415 9.1624 9.1624 9.2775 9.2775 9.5159 9.5159 10.6575 10.6575 10.6651 10.6651 10.7786 10.7786 12.0323 12.0323 13.5062 13.5062 19.1286 19.1286 19.4240 19.4240 k = 0.3333 0.5774-0.0000 ( 801 PWs) bands (ev): 8.0358 8.0358 8.0756 8.0756 8.1315 8.1315 8.3202 8.3202 9.0045 9.0045 9.0855 9.0855 9.6846 9.6846 10.4074 10.4074 10.4901 10.4901 10.5250 10.5250 14.8148 14.8148 15.1985 15.1985 15.2026 15.2026 21.4686 21.4686 k = 0.3333 0.5774 0.0082 ( 801 PWs) bands (ev): 8.0362 8.0362 8.0759 8.0759 8.1317 8.1317 8.3204 8.3204 9.0044 9.0044 9.0850 9.0850 9.6845 9.6845 10.4077 10.4077 10.4903 10.4903 10.5239 10.5239 14.8170 14.8170 15.1991 15.1991 15.2033 15.2033 21.4572 21.4572 k = 0.3333 0.5774 0.0164 ( 801 PWs) bands (ev): 8.0373 8.0373 8.0769 8.0769 8.1324 8.1324 8.3208 8.3208 9.0039 9.0039 9.0836 9.0836 9.6842 9.6842 10.4086 10.4086 10.4908 10.4908 10.5208 10.5208 14.8235 14.8235 15.2011 15.2011 15.2052 15.2052 21.4235 21.4235 k = 0.3333 0.5774 0.0246 ( 801 PWs) bands (ev): 8.0392 8.0392 8.0785 8.0785 8.1335 8.1335 8.3215 8.3215 9.0032 9.0032 9.0813 9.0813 9.6836 9.6836 10.4102 10.4102 10.4917 10.4917 10.5156 10.5156 14.8344 14.8344 15.2043 15.2043 15.2085 15.2085 21.3694 21.3694 k = 0.3333 0.5774 0.0328 ( 801 PWs) bands (ev): 8.0418 8.0418 8.0808 8.0808 8.1350 8.1350 8.3225 8.3225 9.0021 9.0021 9.0782 9.0782 9.6828 9.6828 10.4123 10.4123 10.4929 10.4929 10.5085 10.5085 14.8495 14.8495 15.2088 15.2088 15.2131 15.2131 21.2972 21.2972 k = 0.3333 0.5774 0.0410 ( 801 PWs) bands (ev): 8.0451 8.0451 8.0837 8.0837 8.1369 8.1369 8.3238 8.3238 9.0008 9.0008 9.0741 9.0741 9.6818 9.6818 10.4146 10.4146 10.4945 10.4945 10.4998 10.4998 14.8688 14.8688 15.2146 15.2146 15.2189 15.2189 21.2097 21.2097 k = 0.3333 0.5774 0.0492 ( 807 PWs) bands (ev): 8.0488 8.0488 8.0871 8.0871 8.1391 8.1391 8.3253 8.3253 8.9990 8.9990 9.0690 9.0690 9.6806 9.6806 10.4169 10.4169 10.4896 10.4896 10.4963 10.4963 14.8923 14.8923 15.2217 15.2217 15.2261 15.2261 21.1097 21.1097 k = 0.3333 0.5774 0.0574 ( 801 PWs) bands (ev): 8.0540 8.0540 8.0913 8.0913 8.1419 8.1419 8.3272 8.3272 8.9974 8.9974 9.0636 9.0636 9.6792 9.6792 10.4186 10.4186 10.4790 10.4790 10.4985 10.4985 14.9198 14.9198 15.2301 15.2301 15.2345 15.2345 20.9997 20.9997 k = 0.3333 0.5774 0.0656 ( 807 PWs) bands (ev): 8.0592 8.0592 8.0958 8.0958 8.1448 8.1448 8.3292 8.3292 8.9952 8.9952 9.0570 9.0570 9.6776 9.6776 10.4179 10.4179 10.4693 10.4693 10.5007 10.5007 14.9514 14.9514 15.2397 15.2397 15.2443 15.2443 20.8818 20.8818 k = 0.3333 0.5774 0.0738 ( 807 PWs) bands (ev): 8.0652 8.0652 8.1011 8.1011 8.1482 8.1482 8.3315 8.3315 8.9929 8.9929 9.0498 9.0498 9.6759 9.6759 10.4127 10.4127 10.4631 10.4631 10.5035 10.5035 14.9868 14.9868 15.2505 15.2505 15.2552 15.2552 20.7578 20.7578 k = 0.3333 0.5774 0.0820 ( 798 PWs) bands (ev): 8.0722 8.0722 8.1071 8.1071 8.1521 8.1521 8.3340 8.3340 8.9906 8.9906 9.0422 9.0422 9.6742 9.6742 10.4015 10.4015 10.4622 10.4622 10.5066 10.5066 15.0261 15.0261 15.2626 15.2626 15.2675 15.2675 20.6293 20.6293 k = 0.3333 0.5774 0.0902 ( 804 PWs) bands (ev): 8.0794 8.0794 8.1134 8.1134 8.1561 8.1561 8.3364 8.3364 8.9877 8.9877 9.0335 9.0335 9.6723 9.6723 10.3851 10.3851 10.4649 10.4649 10.5097 10.5097 15.0690 15.0690 15.2760 15.2760 15.2810 15.2810 20.4973 20.4973 k = 0.3333 0.5774 0.0984 ( 804 PWs) bands (ev): 8.0873 8.0873 8.1202 8.1202 8.1605 8.1605 8.3393 8.3393 8.9848 8.9848 9.0244 9.0244 9.6703 9.6703 10.3657 10.3657 10.4700 10.4700 10.5131 10.5131 15.1156 15.1156 15.2905 15.2905 15.2956 15.2956 20.3630 20.3630 k = 0.3333 0.5774 0.1066 ( 804 PWs) bands (ev): 8.0957 8.0957 8.1276 8.1276 8.1650 8.1650 8.3422 8.3422 8.9817 8.9817 9.0148 9.0148 9.6683 9.6683 10.3442 10.3442 10.4762 10.4762 10.5166 10.5166 15.1656 15.1656 15.3061 15.3061 15.3115 15.3115 20.2270 20.2270 k = 0.3333 0.5774 0.1148 ( 801 PWs) bands (ev): 8.1047 8.1047 8.1355 8.1355 8.1700 8.1700 8.3453 8.3453 8.9786 8.9786 9.0048 9.0048 9.6663 9.6663 10.3212 10.3212 10.4833 10.4833 10.5203 10.5203 15.2189 15.2189 15.3229 15.3229 15.3285 15.3285 20.0899 20.0899 k = 0.3333 0.5774 0.1230 ( 801 PWs) bands (ev): 8.1141 8.1141 8.1437 8.1437 8.1749 8.1749 8.3484 8.3484 8.9753 8.9753 8.9943 8.9943 9.6644 9.6644 10.2969 10.2969 10.4908 10.4908 10.5241 10.5241 15.2755 15.2755 15.3408 15.3408 15.3466 15.3466 19.9523 19.9523 k = 0.3333 0.5774 0.1312 ( 807 PWs) bands (ev): 8.1234 8.1234 8.1522 8.1522 8.1800 8.1800 8.3516 8.3516 8.9717 8.9717 8.9833 8.9833 9.6625 9.6625 10.2717 10.2717 10.4986 10.4986 10.5279 10.5279 15.3353 15.3353 15.3597 15.3597 15.3658 15.3658 19.8146 19.8146 k = 0.3333 0.5774 0.1394 ( 807 PWs) bands (ev): 8.1336 8.1336 8.1611 8.1611 8.1852 8.1852 8.3548 8.3548 8.9684 8.9684 8.9721 8.9721 9.6608 9.6608 10.2459 10.2459 10.5067 10.5067 10.5319 10.5319 15.3795 15.3795 15.3859 15.3859 15.3981 15.3981 19.6770 19.6770 k = 0.3333 0.5774 0.1476 ( 807 PWs) bands (ev): 8.1440 8.1440 8.1702 8.1702 8.1905 8.1905 8.3580 8.3580 8.9608 8.9608 8.9650 8.9650 9.6592 9.6592 10.2195 10.2195 10.5148 10.5148 10.5358 10.5358 15.4003 15.4003 15.4069 15.4069 15.4639 15.4639 19.5399 19.5399 k = 0.3333 0.5774 0.1558 ( 807 PWs) bands (ev): 8.1548 8.1548 8.1796 8.1796 8.1958 8.1958 8.3612 8.3612 8.9493 8.9493 8.9616 8.9616 9.6578 9.6578 10.1928 10.1928 10.5230 10.5230 10.5397 10.5397 15.4218 15.4218 15.4288 15.4288 15.5324 15.5324 19.4034 19.4034 k = 0.3333 0.5774 0.1640 ( 807 PWs) bands (ev): 8.1657 8.1657 8.1892 8.1892 8.2011 8.2011 8.3643 8.3643 8.9376 8.9376 8.9582 8.9582 9.6567 9.6567 10.1658 10.1658 10.5311 10.5311 10.5437 10.5437 15.4441 15.4441 15.4514 15.4514 15.6038 15.6038 19.2677 19.2677 k = 0.3333 0.5774 0.1722 ( 807 PWs) bands (ev): 8.1768 8.1768 8.1989 8.1989 8.2064 8.2064 8.3673 8.3673 8.9260 8.9260 8.9548 8.9548 9.6559 9.6559 10.1388 10.1388 10.5391 10.5391 10.5475 10.5475 15.4670 15.4670 15.4746 15.4746 15.6778 15.6778 19.1330 19.1330 k = 0.3333 0.5774 0.1804 ( 807 PWs) bands (ev): 8.1880 8.1880 8.2087 8.2087 8.2116 8.2116 8.3701 8.3701 8.9144 8.9144 8.9516 8.9516 9.6555 9.6555 10.1119 10.1119 10.5470 10.5470 10.5513 10.5513 15.4903 15.4903 15.4983 15.4983 15.7543 15.7543 18.9994 18.9994 k = 0.3333 0.5774 0.1886 ( 807 PWs) bands (ev): 8.1992 8.1992 8.2167 8.2167 8.2185 8.2185 8.3727 8.3727 8.9029 8.9029 8.9484 8.9484 9.6555 9.6555 10.0853 10.0853 10.5546 10.5546 10.5549 10.5549 15.5139 15.5139 15.5223 15.5223 15.8334 15.8334 18.8670 18.8670 k = 0.3333 0.5774 0.1968 ( 807 PWs) bands (ev): 8.2103 8.2103 8.2216 8.2216 8.2282 8.2282 8.3751 8.3751 8.8916 8.8916 8.9454 8.9454 9.6559 9.6559 10.0590 10.0590 10.5584 10.5584 10.5619 10.5619 15.5376 15.5376 15.5464 15.5464 15.9149 15.9149 18.7358 18.7358 k = 0.3333 0.5774 0.2050 ( 807 PWs) bands (ev): 8.2213 8.2213 8.2263 8.2263 8.2377 8.2377 8.3773 8.3773 8.8805 8.8805 8.9425 8.9425 9.6568 9.6568 10.0333 10.0333 10.5618 10.5618 10.5688 10.5688 15.5612 15.5612 15.5704 15.5704 15.9987 15.9987 18.6060 18.6060 k = 0.3333 0.5774 0.2132 ( 804 PWs) bands (ev): 8.2308 8.2308 8.2320 8.2320 8.2471 8.2471 8.3791 8.3791 8.8699 8.8699 8.9397 8.9397 9.6583 9.6583 10.0082 10.0082 10.5651 10.5651 10.5756 10.5756 15.5845 15.5845 15.5942 15.5942 16.0849 16.0849 18.4776 18.4776 k = 0.3333 0.5774 0.2214 ( 798 PWs) bands (ev): 8.2351 8.2351 8.2428 8.2428 8.2562 8.2562 8.3807 8.3807 8.8599 8.8599 8.9374 8.9374 9.6603 9.6603 9.9841 9.9841 10.5681 10.5681 10.5817 10.5817 15.6072 15.6072 15.6173 15.6173 16.1733 16.1733 18.3507 18.3507 k = 0.3333 0.5774 0.2296 ( 798 PWs) bands (ev): 8.2390 8.2390 8.2528 8.2528 8.2649 8.2649 8.3819 8.3819 8.8502 8.8502 8.9350 8.9350 9.6629 9.6629 9.9608 9.9608 10.5708 10.5708 10.5874 10.5874 15.6291 15.6291 15.6396 15.6396 16.2639 16.2639 18.2253 18.2253 k = 0.3333 0.5774 0.2378 ( 795 PWs) bands (ev): 8.2428 8.2428 8.2622 8.2622 8.2731 8.2731 8.3828 8.3828 8.8412 8.8412 8.9328 8.9328 9.6661 9.6661 9.9389 9.9389 10.5734 10.5734 10.5926 10.5926 15.6499 15.6499 15.6608 15.6608 16.3566 16.3566 18.1014 18.1014 k = 0.3333 0.5774 0.2460 ( 795 PWs) bands (ev): 8.2460 8.2460 8.2710 8.2710 8.2806 8.2806 8.3834 8.3834 8.8329 8.8329 8.9309 8.9309 9.6698 9.6698 9.9180 9.9180 10.5756 10.5756 10.5973 10.5973 15.6693 15.6693 15.6806 15.6806 16.4514 16.4514 17.9792 17.9792 k = 0.3333 0.5774 0.2542 ( 795 PWs) bands (ev): 8.2489 8.2489 8.2791 8.2791 8.2875 8.2875 8.3836 8.3836 8.8254 8.8254 8.9291 8.9291 9.6739 9.6739 9.8987 9.8987 10.5776 10.5776 10.6013 10.6013 15.6869 15.6869 15.6985 15.6985 16.5482 16.5482 17.8585 17.8585 k = 0.3333 0.5774 0.2624 ( 795 PWs) bands (ev): 8.2514 8.2514 8.2862 8.2862 8.2936 8.2936 8.3836 8.3836 8.8188 8.8188 8.9276 8.9276 9.6784 9.6784 9.8812 9.8812 10.5793 10.5793 10.6048 10.6048 15.7024 15.7024 15.7144 15.7144 16.6471 16.6471 17.7396 17.7396 k = 0.3333 0.5774 0.2706 ( 780 PWs) bands (ev): 8.2539 8.2539 8.2927 8.2927 8.2993 8.2993 8.3836 8.3836 8.8136 8.8136 8.9266 8.9266 9.6832 9.6832 9.8661 9.8661 10.5808 10.5808 10.6079 10.6079 15.7156 15.7156 15.7279 15.7279 16.7479 16.7479 17.6224 17.6224 k = 0.3333 0.5774 0.2788 ( 780 PWs) bands (ev): 8.2555 8.2555 8.2976 8.2976 8.3035 8.3035 8.3833 8.3833 8.8092 8.8092 8.9257 8.9257 9.6876 9.6876 9.8532 9.8532 10.5819 10.5819 10.6102 10.6102 15.7262 15.7262 15.7387 15.7387 16.8506 16.8506 17.5068 17.5068 k = 0.3333 0.5774 0.2870 ( 780 PWs) bands (ev): 8.2567 8.2567 8.3012 8.3012 8.3067 8.3067 8.3830 8.3830 8.8060 8.8060 8.9250 8.9250 9.6912 9.6912 9.8434 9.8434 10.5827 10.5827 10.6118 10.6118 15.7340 15.7340 15.7466 15.7466 16.9552 16.9552 17.3931 17.3931 k = 0.3333 0.5774 0.2952 ( 780 PWs) bands (ev): 8.2574 8.2574 8.3033 8.3033 8.3087 8.3087 8.3827 8.3827 8.8040 8.8040 8.9245 8.9245 9.6937 9.6937 9.8373 9.8373 10.5832 10.5832 10.6128 10.6128 15.7387 15.7387 15.7514 15.7514 17.0614 17.0614 17.2814 17.2814 k = 0.3333 0.5774 0.3034 ( 780 PWs) bands (ev): 8.2576 8.2576 8.3040 8.3040 8.3094 8.3094 8.3826 8.3826 8.8034 8.8034 8.9244 8.9244 9.6946 9.6946 9.8351 9.8351 10.5833 10.5833 10.6131 10.6131 15.7403 15.7403 15.7531 15.7531 17.1584 17.1584 17.1827 17.1827 Writing output data file Ni.save init_run : 0.08s CPU 0.21s WALL ( 1 calls) electrons : 47.14s CPU 48.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 47.14s CPU 48.55s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 500 calls) cegterg : 43.38s CPU 44.36s WALL ( 614 calls) Called by sum_band: Called by *egterg: h_psi : 16.02s CPU 17.75s WALL ( 9165 calls) s_psi : 1.01s CPU 1.12s WALL ( 9165 calls) g_psi : 0.02s CPU 0.04s WALL ( 8051 calls) cdiaghg : 26.02s CPU 24.98s WALL ( 8551 calls) cegterg:over : 1.32s CPU 1.36s WALL ( 8051 calls) cegterg:upda : 0.80s CPU 0.93s WALL ( 8051 calls) cegterg:last : 0.36s CPU 0.49s WALL ( 1567 calls) cdiaghg:chol : 1.20s CPU 1.26s WALL ( 8551 calls) cdiaghg:inve : 0.40s CPU 0.47s WALL ( 8551 calls) cdiaghg:para : 1.46s CPU 1.59s WALL ( 17102 calls) Called by h_psi: h_psi:vloc : 13.57s CPU 15.11s WALL ( 9165 calls) h_psi:vnl : 2.42s CPU 2.62s WALL ( 9165 calls) add_vuspsi : 1.44s CPU 1.51s WALL ( 9165 calls) General routines calbec : 0.96s CPU 1.08s WALL ( 9165 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.82s CPU 14.26s WALL ( 542044 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.11s WALL ( 1000 calls) Parallel routines fft_scatter : 7.88s CPU 8.89s WALL ( 542067 calls) PWSCF : 0m55.14s CPU 1m 9.35s WALL This run was terminated on: 20:56:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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