Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:14:27 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: ./Fe.save/ file Fe.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 8 7 2 202 139 26 Max 9 8 3 213 147 31 Sum 313 253 85 7511 5203 989 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 4.4333 a.u. unit-cell volume = 122.4842 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.433297 celldm(2)= 1.000000 celldm(3)= 1.623188 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 1.623188 ) 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 0.616071 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 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 ) ( -0.8115942 ) 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 ) ( 0.8115942 ) 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 ) ( -0.8115942 ) 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 ) ( -0.8115942 ) 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 ) ( 0.8115942 ) 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 ) ( 0.8115942 ) 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 ) ( 0.8115942 ) 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 ) ( -0.8115942 ) 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 ) ( 0.8115942 ) 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 ) ( 0.8115942 ) 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 ) ( -0.8115942 ) 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 ) ( -0.8115942 ) 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= 561 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017825 k( 2) = ( 0.0064103 0.0037010 -0.0000000), wk = 0.0017825 k( 3) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0017825 k( 4) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0017825 k( 5) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0017825 k( 6) = ( 0.0320513 0.0185048 -0.0000000), wk = 0.0017825 k( 7) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0017825 k( 8) = ( 0.0448718 0.0259067 -0.0000000), wk = 0.0017825 k( 9) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0017825 k( 10) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0017825 k( 11) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0017825 k( 12) = ( 0.0705128 0.0407106 -0.0000000), wk = 0.0017825 k( 13) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0017825 k( 14) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0017825 k( 15) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0017825 k( 16) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0017825 k( 17) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0017825 k( 18) = ( 0.1089744 0.0629164 -0.0000000), wk = 0.0017825 k( 19) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0017825 k( 20) = ( 0.1217949 0.0703183 -0.0000000), wk = 0.0017825 k( 21) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0017825 k( 22) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0017825 k( 23) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0017825 k( 24) = ( 0.1474359 0.0851222 -0.0000000), wk = 0.0017825 k( 25) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0017825 k( 26) = ( 0.1602564 0.0925241 -0.0000000), wk = 0.0017825 k( 27) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0017825 k( 28) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0017825 k( 29) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0017825 k( 30) = ( 0.1858974 0.1073279 -0.0000000), wk = 0.0017825 k( 31) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0017825 k( 32) = ( 0.1987180 0.1147299 -0.0000000), wk = 0.0017825 k( 33) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0017825 k( 34) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0017825 k( 35) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0017825 k( 36) = ( 0.2243590 0.1295337 -0.0000000), wk = 0.0017825 k( 37) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0017825 k( 38) = ( 0.2371795 0.1369356 -0.0000000), wk = 0.0017825 k( 39) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0017825 k( 40) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0017825 k( 41) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0017825 k( 42) = ( 0.2628205 0.1517395 -0.0000000), wk = 0.0017825 k( 43) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0017825 k( 44) = ( 0.2756410 0.1591414 -0.0000000), wk = 0.0017825 k( 45) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0017825 k( 46) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0017825 k( 47) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0017825 k( 48) = ( 0.3012821 0.1739453 -0.0000000), wk = 0.0017825 k( 49) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0017825 k( 50) = ( 0.3141026 0.1813472 -0.0000000), wk = 0.0017825 k( 51) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0017825 k( 52) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0017825 k( 53) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0017825 k( 54) = ( 0.3397436 0.1961511 -0.0000000), wk = 0.0017825 k( 55) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0017825 k( 56) = ( 0.3525641 0.2035530 -0.0000000), wk = 0.0017825 k( 57) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0017825 k( 58) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0017825 k( 59) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0017825 k( 60) = ( 0.3782051 0.2183568 -0.0000000), wk = 0.0017825 k( 61) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0017825 k( 62) = ( 0.3910256 0.2257588 -0.0000000), wk = 0.0017825 k( 63) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0017825 k( 64) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0017825 k( 65) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0017825 k( 66) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0017825 k( 67) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0017825 k( 68) = ( 0.4294872 0.2479645 -0.0000000), wk = 0.0017825 k( 69) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0017825 k( 70) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0017825 k( 71) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0017825 k( 72) = ( 0.4551282 0.2627684 -0.0000000), wk = 0.0017825 k( 73) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0017825 k( 74) = ( 0.4679487 0.2701703 -0.0000000), wk = 0.0017825 k( 75) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0017825 k( 76) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0017825 k( 77) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0017825 k( 78) = ( 0.4935897 0.2849742 -0.0000000), wk = 0.0017825 k( 79) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0017825 k( 80) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0017825 k( 81) = ( 0.4962963 0.2950901 -0.0000000), wk = 0.0017825 k( 82) = ( 0.4925926 0.3015051 -0.0000000), wk = 0.0017825 k( 83) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0017825 k( 84) = ( 0.4851852 0.3143351 -0.0000000), wk = 0.0017825 k( 85) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0017825 k( 86) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0017825 k( 87) = ( 0.4740741 0.3335802 -0.0000000), wk = 0.0017825 k( 88) = ( 0.4703704 0.3399952 -0.0000000), wk = 0.0017825 k( 89) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0017825 k( 90) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0017825 k( 91) = ( 0.4592593 0.3592402 -0.0000000), wk = 0.0017825 k( 92) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0017825 k( 93) = ( 0.4518518 0.3720702 -0.0000000), wk = 0.0017825 k( 94) = ( 0.4481482 0.3784852 -0.0000000), wk = 0.0017825 k( 95) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0017825 k( 96) = ( 0.4407407 0.3913152 -0.0000000), wk = 0.0017825 k( 97) = ( 0.4370370 0.3977302 -0.0000000), wk = 0.0017825 k( 98) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0017825 k( 99) = ( 0.4296296 0.4105602 -0.0000000), wk = 0.0017825 k( 100) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0017825 k( 101) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0017825 k( 102) = ( 0.4185185 0.4298052 -0.0000000), wk = 0.0017825 k( 103) = ( 0.4148148 0.4362202 -0.0000000), wk = 0.0017825 k( 104) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0017825 k( 105) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0017825 k( 106) = ( 0.4037037 0.4554652 -0.0000000), wk = 0.0017825 k( 107) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0017825 k( 108) = ( 0.3962963 0.4682952 -0.0000000), wk = 0.0017825 k( 109) = ( 0.3925926 0.4747102 -0.0000000), wk = 0.0017825 k( 110) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0017825 k( 111) = ( 0.3851852 0.4875402 -0.0000000), wk = 0.0017825 k( 112) = ( 0.3814815 0.4939552 -0.0000000), wk = 0.0017825 k( 113) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0017825 k( 114) = ( 0.3740741 0.5067852 -0.0000000), wk = 0.0017825 k( 115) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0017825 k( 116) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0017825 k( 117) = ( 0.3629630 0.5260302 -0.0000000), wk = 0.0017825 k( 118) = ( 0.3592593 0.5324452 -0.0000000), wk = 0.0017825 k( 119) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0017825 k( 120) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0017825 k( 121) = ( 0.3481481 0.5516903 -0.0000000), wk = 0.0017825 k( 122) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0017825 k( 123) = ( 0.3407407 0.5645203 -0.0000000), wk = 0.0017825 k( 124) = ( 0.3370370 0.5709353 -0.0000000), wk = 0.0017825 k( 125) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0017825 k( 126) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0017825 k( 127) = ( 0.3296296 0.5709353 -0.0000000), wk = 0.0017825 k( 128) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0017825 k( 129) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0017825 k( 130) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0017825 k( 131) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0017825 k( 132) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0017825 k( 133) = ( 0.3074074 0.5324453 -0.0000000), wk = 0.0017825 k( 134) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0017825 k( 135) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0017825 k( 136) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0017825 k( 137) = ( 0.2925926 0.5067852 -0.0000000), wk = 0.0017825 k( 138) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0017825 k( 139) = ( 0.2851852 0.4939552 -0.0000000), wk = 0.0017825 k( 140) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0017825 k( 141) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0017825 k( 142) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0017825 k( 143) = ( 0.2703704 0.4682952 -0.0000000), wk = 0.0017825 k( 144) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0017825 k( 145) = ( 0.2629630 0.4554652 -0.0000000), wk = 0.0017825 k( 146) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0017825 k( 147) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0017825 k( 148) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0017825 k( 149) = ( 0.2481482 0.4298052 -0.0000000), wk = 0.0017825 k( 150) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0017825 k( 151) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0017825 k( 152) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0017825 k( 153) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0017825 k( 154) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0017825 k( 155) = ( 0.2259259 0.3913152 -0.0000000), wk = 0.0017825 k( 156) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0017825 k( 157) = ( 0.2185185 0.3784852 -0.0000000), wk = 0.0017825 k( 158) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0017825 k( 159) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0017825 k( 160) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0017825 k( 161) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0017825 k( 162) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0017825 k( 163) = ( 0.1962963 0.3399952 -0.0000000), wk = 0.0017825 k( 164) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0017825 k( 165) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0017825 k( 166) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0017825 k( 167) = ( 0.1814815 0.3143351 -0.0000000), wk = 0.0017825 k( 168) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0017825 k( 169) = ( 0.1740741 0.3015051 -0.0000000), wk = 0.0017825 k( 170) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0017825 k( 171) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0017825 k( 172) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0017825 k( 173) = ( 0.1592593 0.2758451 -0.0000000), wk = 0.0017825 k( 174) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0017825 k( 175) = ( 0.1518519 0.2630151 -0.0000000), wk = 0.0017825 k( 176) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0017825 k( 177) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0017825 k( 178) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0017825 k( 179) = ( 0.1370370 0.2373551 -0.0000000), wk = 0.0017825 k( 180) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0017825 k( 181) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0017825 k( 182) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0017825 k( 183) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0017825 k( 184) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0017825 k( 185) = ( 0.1148148 0.1988651 -0.0000000), wk = 0.0017825 k( 186) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0017825 k( 187) = ( 0.1074074 0.1860351 -0.0000000), wk = 0.0017825 k( 188) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0017825 k( 189) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0017825 k( 190) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0017825 k( 191) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0017825 k( 192) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0017825 k( 193) = ( 0.0851852 0.1475451 -0.0000000), wk = 0.0017825 k( 194) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0017825 k( 195) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0017825 k( 196) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0017825 k( 197) = ( 0.0703704 0.1218851 -0.0000000), wk = 0.0017825 k( 198) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0017825 k( 199) = ( 0.0629630 0.1090550 -0.0000000), wk = 0.0017825 k( 200) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0017825 k( 201) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0017825 k( 202) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0017825 k( 203) = ( 0.0481482 0.0833950 -0.0000000), wk = 0.0017825 k( 204) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0017825 k( 205) = ( 0.0407407 0.0705650 -0.0000000), wk = 0.0017825 k( 206) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0017825 k( 207) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0017825 k( 208) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0017825 k( 209) = ( 0.0259259 0.0449050 -0.0000000), wk = 0.0017825 k( 210) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0017825 k( 211) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0017825 k( 212) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0017825 k( 213) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0017825 k( 214) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0017825 k( 215) = ( 0.0037037 0.0064150 -0.0000000), wk = 0.0017825 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017825 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017825 k( 218) = ( 0.0000000 0.0000000 0.0073342), wk = 0.0017825 k( 219) = ( 0.0000000 0.0000000 0.0146684), wk = 0.0017825 k( 220) = ( 0.0000000 0.0000000 0.0220026), wk = 0.0017825 k( 221) = ( 0.0000000 0.0000000 0.0293367), wk = 0.0017825 k( 222) = ( 0.0000000 0.0000000 0.0366709), wk = 0.0017825 k( 223) = ( 0.0000000 0.0000000 0.0440051), wk = 0.0017825 k( 224) = ( 0.0000000 0.0000000 0.0513393), wk = 0.0017825 k( 225) = ( 0.0000000 0.0000000 0.0586735), wk = 0.0017825 k( 226) = ( 0.0000000 0.0000000 0.0660077), wk = 0.0017825 k( 227) = ( 0.0000000 0.0000000 0.0733418), wk = 0.0017825 k( 228) = ( 0.0000000 0.0000000 0.0806760), wk = 0.0017825 k( 229) = ( 0.0000000 0.0000000 0.0880102), wk = 0.0017825 k( 230) = ( 0.0000000 0.0000000 0.0953444), wk = 0.0017825 k( 231) = ( 0.0000000 0.0000000 0.1026786), wk = 0.0017825 k( 232) = ( 0.0000000 0.0000000 0.1100128), wk = 0.0017825 k( 233) = ( 0.0000000 0.0000000 0.1173469), wk = 0.0017825 k( 234) = ( 0.0000000 0.0000000 0.1246811), wk = 0.0017825 k( 235) = ( 0.0000000 0.0000000 0.1320153), wk = 0.0017825 k( 236) = ( 0.0000000 0.0000000 0.1393495), wk = 0.0017825 k( 237) = ( 0.0000000 0.0000000 0.1466837), wk = 0.0017825 k( 238) = ( 0.0000000 0.0000000 0.1540179), wk = 0.0017825 k( 239) = ( 0.0000000 0.0000000 0.1613520), wk = 0.0017825 k( 240) = ( 0.0000000 0.0000000 0.1686862), wk = 0.0017825 k( 241) = ( 0.0000000 0.0000000 0.1760204), wk = 0.0017825 k( 242) = ( 0.0000000 0.0000000 0.1833546), wk = 0.0017825 k( 243) = ( 0.0000000 0.0000000 0.1906888), wk = 0.0017825 k( 244) = ( 0.0000000 0.0000000 0.1980230), wk = 0.0017825 k( 245) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0017825 k( 246) = ( 0.0000000 0.0000000 0.2126913), wk = 0.0017825 k( 247) = ( 0.0000000 0.0000000 0.2200255), wk = 0.0017825 k( 248) = ( 0.0000000 0.0000000 0.2273597), wk = 0.0017825 k( 249) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0017825 k( 250) = ( 0.0000000 0.0000000 0.2420281), wk = 0.0017825 k( 251) = ( 0.0000000 0.0000000 0.2493622), wk = 0.0017825 k( 252) = ( 0.0000000 0.0000000 0.2566964), wk = 0.0017825 k( 253) = ( 0.0000000 0.0000000 0.2640306), wk = 0.0017825 k( 254) = ( 0.0000000 0.0000000 0.2713648), wk = 0.0017825 k( 255) = ( 0.0000000 0.0000000 0.2786990), wk = 0.0017825 k( 256) = ( 0.0000000 0.0000000 0.2860332), wk = 0.0017825 k( 257) = ( 0.0000000 0.0000000 0.2933673), wk = 0.0017825 k( 258) = ( 0.0000000 0.0000000 0.3007015), wk = 0.0017825 k( 259) = ( 0.0000000 0.0000000 0.3080357), wk = 0.0017825 k( 260) = ( 0.0000000 0.0000000 0.3080357), wk = 0.0017825 k( 261) = ( 0.0064103 0.0037010 0.3080357), wk = 0.0017825 k( 262) = ( 0.0128205 0.0074019 0.3080357), wk = 0.0017825 k( 263) = ( 0.0192308 0.0111029 0.3080357), wk = 0.0017825 k( 264) = ( 0.0256410 0.0148039 0.3080357), wk = 0.0017825 k( 265) = ( 0.0320513 0.0185048 0.3080357), wk = 0.0017825 k( 266) = ( 0.0384615 0.0222058 0.3080357), wk = 0.0017825 k( 267) = ( 0.0448718 0.0259067 0.3080357), wk = 0.0017825 k( 268) = ( 0.0512821 0.0296077 0.3080357), wk = 0.0017825 k( 269) = ( 0.0576923 0.0333087 0.3080357), wk = 0.0017825 k( 270) = ( 0.0641026 0.0370096 0.3080357), wk = 0.0017825 k( 271) = ( 0.0705128 0.0407106 0.3080357), wk = 0.0017825 k( 272) = ( 0.0769231 0.0444116 0.3080357), wk = 0.0017825 k( 273) = ( 0.0833333 0.0481125 0.3080357), wk = 0.0017825 k( 274) = ( 0.0897436 0.0518135 0.3080357), wk = 0.0017825 k( 275) = ( 0.0961538 0.0555145 0.3080357), wk = 0.0017825 k( 276) = ( 0.1025641 0.0592154 0.3080357), wk = 0.0017825 k( 277) = ( 0.1089744 0.0629164 0.3080357), wk = 0.0017825 k( 278) = ( 0.1153846 0.0666173 0.3080357), wk = 0.0017825 k( 279) = ( 0.1217949 0.0703183 0.3080357), wk = 0.0017825 k( 280) = ( 0.1282051 0.0740193 0.3080357), wk = 0.0017825 k( 281) = ( 0.1346154 0.0777202 0.3080357), wk = 0.0017825 k( 282) = ( 0.1410256 0.0814212 0.3080357), wk = 0.0017825 k( 283) = ( 0.1474359 0.0851222 0.3080357), wk = 0.0017825 k( 284) = ( 0.1538461 0.0888231 0.3080357), wk = 0.0017825 k( 285) = ( 0.1602564 0.0925241 0.3080357), wk = 0.0017825 k( 286) = ( 0.1666667 0.0962250 0.3080357), wk = 0.0017825 k( 287) = ( 0.1730769 0.0999260 0.3080357), wk = 0.0017825 k( 288) = ( 0.1794872 0.1036270 0.3080357), wk = 0.0017825 k( 289) = ( 0.1858974 0.1073279 0.3080357), wk = 0.0017825 k( 290) = ( 0.1923077 0.1110289 0.3080357), wk = 0.0017825 k( 291) = ( 0.1987180 0.1147299 0.3080357), wk = 0.0017825 k( 292) = ( 0.2051282 0.1184308 0.3080357), wk = 0.0017825 k( 293) = ( 0.2115385 0.1221318 0.3080357), wk = 0.0017825 k( 294) = ( 0.2179487 0.1258328 0.3080357), wk = 0.0017825 k( 295) = ( 0.2243590 0.1295337 0.3080357), wk = 0.0017825 k( 296) = ( 0.2307692 0.1332347 0.3080357), wk = 0.0017825 k( 297) = ( 0.2371795 0.1369356 0.3080357), wk = 0.0017825 k( 298) = ( 0.2435897 0.1406366 0.3080357), wk = 0.0017825 k( 299) = ( 0.2500000 0.1443376 0.3080357), wk = 0.0017825 k( 300) = ( 0.2564103 0.1480385 0.3080357), wk = 0.0017825 k( 301) = ( 0.2628205 0.1517395 0.3080357), wk = 0.0017825 k( 302) = ( 0.2692308 0.1554405 0.3080357), wk = 0.0017825 k( 303) = ( 0.2756410 0.1591414 0.3080357), wk = 0.0017825 k( 304) = ( 0.2820513 0.1628424 0.3080357), wk = 0.0017825 k( 305) = ( 0.2884615 0.1665433 0.3080357), wk = 0.0017825 k( 306) = ( 0.2948718 0.1702443 0.3080357), wk = 0.0017825 k( 307) = ( 0.3012821 0.1739453 0.3080357), wk = 0.0017825 k( 308) = ( 0.3076923 0.1776462 0.3080357), wk = 0.0017825 k( 309) = ( 0.3141026 0.1813472 0.3080357), wk = 0.0017825 k( 310) = ( 0.3205128 0.1850482 0.3080357), wk = 0.0017825 k( 311) = ( 0.3269231 0.1887491 0.3080357), wk = 0.0017825 k( 312) = ( 0.3333333 0.1924501 0.3080357), wk = 0.0017825 k( 313) = ( 0.3397436 0.1961511 0.3080357), wk = 0.0017825 k( 314) = ( 0.3461538 0.1998520 0.3080357), wk = 0.0017825 k( 315) = ( 0.3525641 0.2035530 0.3080357), wk = 0.0017825 k( 316) = ( 0.3589744 0.2072539 0.3080357), wk = 0.0017825 k( 317) = ( 0.3653846 0.2109549 0.3080357), wk = 0.0017825 k( 318) = ( 0.3717949 0.2146559 0.3080357), wk = 0.0017825 k( 319) = ( 0.3782051 0.2183568 0.3080357), wk = 0.0017825 k( 320) = ( 0.3846154 0.2220578 0.3080357), wk = 0.0017825 k( 321) = ( 0.3910256 0.2257588 0.3080357), wk = 0.0017825 k( 322) = ( 0.3974359 0.2294597 0.3080357), wk = 0.0017825 k( 323) = ( 0.4038462 0.2331607 0.3080357), wk = 0.0017825 k( 324) = ( 0.4102564 0.2368616 0.3080357), wk = 0.0017825 k( 325) = ( 0.4166667 0.2405626 0.3080357), wk = 0.0017825 k( 326) = ( 0.4230769 0.2442636 0.3080357), wk = 0.0017825 k( 327) = ( 0.4294872 0.2479645 0.3080357), wk = 0.0017825 k( 328) = ( 0.4358974 0.2516655 0.3080357), wk = 0.0017825 k( 329) = ( 0.4423077 0.2553665 0.3080357), wk = 0.0017825 k( 330) = ( 0.4487179 0.2590674 0.3080357), wk = 0.0017825 k( 331) = ( 0.4551282 0.2627684 0.3080357), wk = 0.0017825 k( 332) = ( 0.4615385 0.2664694 0.3080357), wk = 0.0017825 k( 333) = ( 0.4679487 0.2701703 0.3080357), wk = 0.0017825 k( 334) = ( 0.4743590 0.2738713 0.3080357), wk = 0.0017825 k( 335) = ( 0.4807692 0.2775722 0.3080357), wk = 0.0017825 k( 336) = ( 0.4871795 0.2812732 0.3080357), wk = 0.0017825 k( 337) = ( 0.4935897 0.2849742 0.3080357), wk = 0.0017825 k( 338) = ( 0.5000000 0.2886751 0.3080357), wk = 0.0017825 k( 339) = ( 0.5000000 0.2886751 0.3080357), wk = 0.0017825 k( 340) = ( 0.4962963 0.2950901 0.3080357), wk = 0.0017825 k( 341) = ( 0.4925926 0.3015051 0.3080357), wk = 0.0017825 k( 342) = ( 0.4888889 0.3079201 0.3080357), wk = 0.0017825 k( 343) = ( 0.4851852 0.3143351 0.3080357), wk = 0.0017825 k( 344) = ( 0.4814815 0.3207502 0.3080357), wk = 0.0017825 k( 345) = ( 0.4777778 0.3271651 0.3080357), wk = 0.0017825 k( 346) = ( 0.4740741 0.3335802 0.3080357), wk = 0.0017825 k( 347) = ( 0.4703704 0.3399952 0.3080357), wk = 0.0017825 k( 348) = ( 0.4666667 0.3464102 0.3080357), wk = 0.0017825 k( 349) = ( 0.4629630 0.3528252 0.3080357), wk = 0.0017825 k( 350) = ( 0.4592593 0.3592402 0.3080357), wk = 0.0017825 k( 351) = ( 0.4555556 0.3656552 0.3080357), wk = 0.0017825 k( 352) = ( 0.4518518 0.3720702 0.3080357), wk = 0.0017825 k( 353) = ( 0.4481482 0.3784852 0.3080357), wk = 0.0017825 k( 354) = ( 0.4444444 0.3849002 0.3080357), wk = 0.0017825 k( 355) = ( 0.4407407 0.3913152 0.3080357), wk = 0.0017825 k( 356) = ( 0.4370370 0.3977302 0.3080357), wk = 0.0017825 k( 357) = ( 0.4333333 0.4041452 0.3080357), wk = 0.0017825 k( 358) = ( 0.4296296 0.4105602 0.3080357), wk = 0.0017825 k( 359) = ( 0.4259259 0.4169752 0.3080357), wk = 0.0017825 k( 360) = ( 0.4222222 0.4233902 0.3080357), wk = 0.0017825 k( 361) = ( 0.4185185 0.4298052 0.3080357), wk = 0.0017825 k( 362) = ( 0.4148148 0.4362202 0.3080357), wk = 0.0017825 k( 363) = ( 0.4111111 0.4426352 0.3080357), wk = 0.0017825 k( 364) = ( 0.4074074 0.4490502 0.3080357), wk = 0.0017825 k( 365) = ( 0.4037037 0.4554652 0.3080357), wk = 0.0017825 k( 366) = ( 0.4000000 0.4618802 0.3080357), wk = 0.0017825 k( 367) = ( 0.3962963 0.4682952 0.3080357), wk = 0.0017825 k( 368) = ( 0.3925926 0.4747102 0.3080357), wk = 0.0017825 k( 369) = ( 0.3888889 0.4811252 0.3080357), wk = 0.0017825 k( 370) = ( 0.3851852 0.4875402 0.3080357), wk = 0.0017825 k( 371) = ( 0.3814815 0.4939552 0.3080357), wk = 0.0017825 k( 372) = ( 0.3777778 0.5003702 0.3080357), wk = 0.0017825 k( 373) = ( 0.3740741 0.5067852 0.3080357), wk = 0.0017825 k( 374) = ( 0.3703704 0.5132002 0.3080357), wk = 0.0017825 k( 375) = ( 0.3666667 0.5196152 0.3080357), wk = 0.0017825 k( 376) = ( 0.3629630 0.5260302 0.3080357), wk = 0.0017825 k( 377) = ( 0.3592593 0.5324452 0.3080357), wk = 0.0017825 k( 378) = ( 0.3555556 0.5388603 0.3080357), wk = 0.0017825 k( 379) = ( 0.3518519 0.5452753 0.3080357), wk = 0.0017825 k( 380) = ( 0.3481481 0.5516903 0.3080357), wk = 0.0017825 k( 381) = ( 0.3444444 0.5581053 0.3080357), wk = 0.0017825 k( 382) = ( 0.3407407 0.5645203 0.3080357), wk = 0.0017825 k( 383) = ( 0.3370370 0.5709353 0.3080357), wk = 0.0017825 k( 384) = ( 0.3333333 0.5773503 0.3080357), wk = 0.0017825 k( 385) = ( 0.3333333 0.5773503 0.3080357), wk = 0.0017825 k( 386) = ( 0.3296296 0.5709353 0.3080357), wk = 0.0017825 k( 387) = ( 0.3259259 0.5645203 0.3080357), wk = 0.0017825 k( 388) = ( 0.3222222 0.5581053 0.3080357), wk = 0.0017825 k( 389) = ( 0.3185185 0.5516903 0.3080357), wk = 0.0017825 k( 390) = ( 0.3148148 0.5452752 0.3080357), wk = 0.0017825 k( 391) = ( 0.3111111 0.5388602 0.3080357), wk = 0.0017825 k( 392) = ( 0.3074074 0.5324453 0.3080357), wk = 0.0017825 k( 393) = ( 0.3037037 0.5260302 0.3080357), wk = 0.0017825 k( 394) = ( 0.3000000 0.5196152 0.3080357), wk = 0.0017825 k( 395) = ( 0.2962963 0.5132002 0.3080357), wk = 0.0017825 k( 396) = ( 0.2925926 0.5067852 0.3080357), wk = 0.0017825 k( 397) = ( 0.2888889 0.5003702 0.3080357), wk = 0.0017825 k( 398) = ( 0.2851852 0.4939552 0.3080357), wk = 0.0017825 k( 399) = ( 0.2814815 0.4875402 0.3080357), wk = 0.0017825 k( 400) = ( 0.2777778 0.4811252 0.3080357), wk = 0.0017825 k( 401) = ( 0.2740741 0.4747102 0.3080357), wk = 0.0017825 k( 402) = ( 0.2703704 0.4682952 0.3080357), wk = 0.0017825 k( 403) = ( 0.2666667 0.4618802 0.3080357), wk = 0.0017825 k( 404) = ( 0.2629630 0.4554652 0.3080357), wk = 0.0017825 k( 405) = ( 0.2592593 0.4490502 0.3080357), wk = 0.0017825 k( 406) = ( 0.2555556 0.4426352 0.3080357), wk = 0.0017825 k( 407) = ( 0.2518518 0.4362202 0.3080357), wk = 0.0017825 k( 408) = ( 0.2481482 0.4298052 0.3080357), wk = 0.0017825 k( 409) = ( 0.2444444 0.4233902 0.3080357), wk = 0.0017825 k( 410) = ( 0.2407407 0.4169752 0.3080357), wk = 0.0017825 k( 411) = ( 0.2370370 0.4105602 0.3080357), wk = 0.0017825 k( 412) = ( 0.2333333 0.4041452 0.3080357), wk = 0.0017825 k( 413) = ( 0.2296296 0.3977302 0.3080357), wk = 0.0017825 k( 414) = ( 0.2259259 0.3913152 0.3080357), wk = 0.0017825 k( 415) = ( 0.2222222 0.3849002 0.3080357), wk = 0.0017825 k( 416) = ( 0.2185185 0.3784852 0.3080357), wk = 0.0017825 k( 417) = ( 0.2148148 0.3720702 0.3080357), wk = 0.0017825 k( 418) = ( 0.2111111 0.3656552 0.3080357), wk = 0.0017825 k( 419) = ( 0.2074074 0.3592402 0.3080357), wk = 0.0017825 k( 420) = ( 0.2037037 0.3528252 0.3080357), wk = 0.0017825 k( 421) = ( 0.2000000 0.3464102 0.3080357), wk = 0.0017825 k( 422) = ( 0.1962963 0.3399952 0.3080357), wk = 0.0017825 k( 423) = ( 0.1925926 0.3335802 0.3080357), wk = 0.0017825 k( 424) = ( 0.1888889 0.3271652 0.3080357), wk = 0.0017825 k( 425) = ( 0.1851852 0.3207502 0.3080357), wk = 0.0017825 k( 426) = ( 0.1814815 0.3143351 0.3080357), wk = 0.0017825 k( 427) = ( 0.1777778 0.3079201 0.3080357), wk = 0.0017825 k( 428) = ( 0.1740741 0.3015051 0.3080357), wk = 0.0017825 k( 429) = ( 0.1703704 0.2950901 0.3080357), wk = 0.0017825 k( 430) = ( 0.1666667 0.2886751 0.3080357), wk = 0.0017825 k( 431) = ( 0.1629630 0.2822601 0.3080357), wk = 0.0017825 k( 432) = ( 0.1592593 0.2758451 0.3080357), wk = 0.0017825 k( 433) = ( 0.1555556 0.2694301 0.3080357), wk = 0.0017825 k( 434) = ( 0.1518519 0.2630151 0.3080357), wk = 0.0017825 k( 435) = ( 0.1481482 0.2566001 0.3080357), wk = 0.0017825 k( 436) = ( 0.1444444 0.2501851 0.3080357), wk = 0.0017825 k( 437) = ( 0.1407407 0.2437701 0.3080357), wk = 0.0017825 k( 438) = ( 0.1370370 0.2373551 0.3080357), wk = 0.0017825 k( 439) = ( 0.1333333 0.2309401 0.3080357), wk = 0.0017825 k( 440) = ( 0.1296296 0.2245251 0.3080357), wk = 0.0017825 k( 441) = ( 0.1259259 0.2181101 0.3080357), wk = 0.0017825 k( 442) = ( 0.1222222 0.2116951 0.3080357), wk = 0.0017825 k( 443) = ( 0.1185185 0.2052801 0.3080357), wk = 0.0017825 k( 444) = ( 0.1148148 0.1988651 0.3080357), wk = 0.0017825 k( 445) = ( 0.1111111 0.1924501 0.3080357), wk = 0.0017825 k( 446) = ( 0.1074074 0.1860351 0.3080357), wk = 0.0017825 k( 447) = ( 0.1037037 0.1796201 0.3080357), wk = 0.0017825 k( 448) = ( 0.1000000 0.1732051 0.3080357), wk = 0.0017825 k( 449) = ( 0.0962963 0.1667901 0.3080357), wk = 0.0017825 k( 450) = ( 0.0925926 0.1603751 0.3080357), wk = 0.0017825 k( 451) = ( 0.0888889 0.1539601 0.3080357), wk = 0.0017825 k( 452) = ( 0.0851852 0.1475451 0.3080357), wk = 0.0017825 k( 453) = ( 0.0814815 0.1411301 0.3080357), wk = 0.0017825 k( 454) = ( 0.0777778 0.1347151 0.3080357), wk = 0.0017825 k( 455) = ( 0.0740741 0.1283001 0.3080357), wk = 0.0017825 k( 456) = ( 0.0703704 0.1218851 0.3080357), wk = 0.0017825 k( 457) = ( 0.0666667 0.1154701 0.3080357), wk = 0.0017825 k( 458) = ( 0.0629630 0.1090550 0.3080357), wk = 0.0017825 k( 459) = ( 0.0592593 0.1026400 0.3080357), wk = 0.0017825 k( 460) = ( 0.0555556 0.0962251 0.3080357), wk = 0.0017825 k( 461) = ( 0.0518518 0.0898100 0.3080357), wk = 0.0017825 k( 462) = ( 0.0481482 0.0833950 0.3080357), wk = 0.0017825 k( 463) = ( 0.0444444 0.0769800 0.3080357), wk = 0.0017825 k( 464) = ( 0.0407407 0.0705650 0.3080357), wk = 0.0017825 k( 465) = ( 0.0370370 0.0641500 0.3080357), wk = 0.0017825 k( 466) = ( 0.0333333 0.0577350 0.3080357), wk = 0.0017825 k( 467) = ( 0.0296296 0.0513200 0.3080357), wk = 0.0017825 k( 468) = ( 0.0259259 0.0449050 0.3080357), wk = 0.0017825 k( 469) = ( 0.0222222 0.0384900 0.3080357), wk = 0.0017825 k( 470) = ( 0.0185185 0.0320750 0.3080357), wk = 0.0017825 k( 471) = ( 0.0148148 0.0256600 0.3080357), wk = 0.0017825 k( 472) = ( 0.0111111 0.0192450 0.3080357), wk = 0.0017825 k( 473) = ( 0.0074074 0.0128300 0.3080357), wk = 0.0017825 k( 474) = ( 0.0037037 0.0064150 0.3080357), wk = 0.0017825 k( 475) = ( 0.0000000 0.0000000 0.3080357), wk = 0.0017825 k( 476) = ( 0.5000000 0.2886751 0.3080357), wk = 0.0017825 k( 477) = ( 0.5000000 0.2886751 0.3007015), wk = 0.0017825 k( 478) = ( 0.5000000 0.2886751 0.2933673), wk = 0.0017825 k( 479) = ( 0.5000000 0.2886751 0.2860332), wk = 0.0017825 k( 480) = ( 0.5000000 0.2886751 0.2786990), wk = 0.0017825 k( 481) = ( 0.5000000 0.2886751 0.2713648), wk = 0.0017825 k( 482) = ( 0.5000000 0.2886751 0.2640306), wk = 0.0017825 k( 483) = ( 0.5000000 0.2886751 0.2566964), wk = 0.0017825 k( 484) = ( 0.5000000 0.2886751 0.2493622), wk = 0.0017825 k( 485) = ( 0.5000000 0.2886751 0.2420281), wk = 0.0017825 k( 486) = ( 0.5000000 0.2886751 0.2346939), wk = 0.0017825 k( 487) = ( 0.5000000 0.2886751 0.2273597), wk = 0.0017825 k( 488) = ( 0.5000000 0.2886751 0.2200255), wk = 0.0017825 k( 489) = ( 0.5000000 0.2886751 0.2126913), wk = 0.0017825 k( 490) = ( 0.5000000 0.2886751 0.2053571), wk = 0.0017825 k( 491) = ( 0.5000000 0.2886751 0.1980230), wk = 0.0017825 k( 492) = ( 0.5000000 0.2886751 0.1906888), wk = 0.0017825 k( 493) = ( 0.5000000 0.2886751 0.1833546), wk = 0.0017825 k( 494) = ( 0.5000000 0.2886751 0.1760204), wk = 0.0017825 k( 495) = ( 0.5000000 0.2886751 0.1686862), wk = 0.0017825 k( 496) = ( 0.5000000 0.2886751 0.1613520), wk = 0.0017825 k( 497) = ( 0.5000000 0.2886751 0.1540179), wk = 0.0017825 k( 498) = ( 0.5000000 0.2886751 0.1466837), wk = 0.0017825 k( 499) = ( 0.5000000 0.2886751 0.1393495), wk = 0.0017825 k( 500) = ( 0.5000000 0.2886751 0.1320153), wk = 0.0017825 k( 501) = ( 0.5000000 0.2886751 0.1246811), wk = 0.0017825 k( 502) = ( 0.5000000 0.2886751 0.1173469), wk = 0.0017825 k( 503) = ( 0.5000000 0.2886751 0.1100128), wk = 0.0017825 k( 504) = ( 0.5000000 0.2886751 0.1026786), wk = 0.0017825 k( 505) = ( 0.5000000 0.2886751 0.0953444), wk = 0.0017825 k( 506) = ( 0.5000000 0.2886751 0.0880102), wk = 0.0017825 k( 507) = ( 0.5000000 0.2886751 0.0806760), wk = 0.0017825 k( 508) = ( 0.5000000 0.2886751 0.0733418), wk = 0.0017825 k( 509) = ( 0.5000000 0.2886751 0.0660077), wk = 0.0017825 k( 510) = ( 0.5000000 0.2886751 0.0586735), wk = 0.0017825 k( 511) = ( 0.5000000 0.2886751 0.0513393), wk = 0.0017825 k( 512) = ( 0.5000000 0.2886751 0.0440051), wk = 0.0017825 k( 513) = ( 0.5000000 0.2886751 0.0366709), wk = 0.0017825 k( 514) = ( 0.5000000 0.2886751 0.0293367), wk = 0.0017825 k( 515) = ( 0.5000000 0.2886751 0.0220026), wk = 0.0017825 k( 516) = ( 0.5000000 0.2886751 0.0146684), wk = 0.0017825 k( 517) = ( 0.5000000 0.2886751 0.0073342), wk = 0.0017825 k( 518) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0017825 k( 519) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0017825 k( 520) = ( 0.3333333 0.5773503 0.0073342), wk = 0.0017825 k( 521) = ( 0.3333333 0.5773503 0.0146684), wk = 0.0017825 k( 522) = ( 0.3333333 0.5773503 0.0220026), wk = 0.0017825 k( 523) = ( 0.3333333 0.5773503 0.0293367), wk = 0.0017825 k( 524) = ( 0.3333333 0.5773503 0.0366709), wk = 0.0017825 k( 525) = ( 0.3333333 0.5773503 0.0440051), wk = 0.0017825 k( 526) = ( 0.3333333 0.5773503 0.0513393), wk = 0.0017825 k( 527) = ( 0.3333333 0.5773503 0.0586735), wk = 0.0017825 k( 528) = ( 0.3333333 0.5773503 0.0660077), wk = 0.0017825 k( 529) = ( 0.3333333 0.5773503 0.0733418), wk = 0.0017825 k( 530) = ( 0.3333333 0.5773503 0.0806760), wk = 0.0017825 k( 531) = ( 0.3333333 0.5773503 0.0880102), wk = 0.0017825 k( 532) = ( 0.3333333 0.5773503 0.0953444), wk = 0.0017825 k( 533) = ( 0.3333333 0.5773503 0.1026786), wk = 0.0017825 k( 534) = ( 0.3333333 0.5773503 0.1100128), wk = 0.0017825 k( 535) = ( 0.3333333 0.5773503 0.1173469), wk = 0.0017825 k( 536) = ( 0.3333333 0.5773503 0.1246811), wk = 0.0017825 k( 537) = ( 0.3333333 0.5773503 0.1320153), wk = 0.0017825 k( 538) = ( 0.3333333 0.5773503 0.1393495), wk = 0.0017825 k( 539) = ( 0.3333333 0.5773503 0.1466837), wk = 0.0017825 k( 540) = ( 0.3333333 0.5773503 0.1540179), wk = 0.0017825 k( 541) = ( 0.3333333 0.5773503 0.1613520), wk = 0.0017825 k( 542) = ( 0.3333333 0.5773503 0.1686862), wk = 0.0017825 k( 543) = ( 0.3333333 0.5773503 0.1760204), wk = 0.0017825 k( 544) = ( 0.3333333 0.5773503 0.1833546), wk = 0.0017825 k( 545) = ( 0.3333333 0.5773503 0.1906888), wk = 0.0017825 k( 546) = ( 0.3333333 0.5773503 0.1980230), wk = 0.0017825 k( 547) = ( 0.3333333 0.5773503 0.2053571), wk = 0.0017825 k( 548) = ( 0.3333333 0.5773503 0.2126913), wk = 0.0017825 k( 549) = ( 0.3333333 0.5773503 0.2200255), wk = 0.0017825 k( 550) = ( 0.3333333 0.5773503 0.2273597), wk = 0.0017825 k( 551) = ( 0.3333333 0.5773503 0.2346939), wk = 0.0017825 k( 552) = ( 0.3333333 0.5773503 0.2420281), wk = 0.0017825 k( 553) = ( 0.3333333 0.5773503 0.2493622), wk = 0.0017825 k( 554) = ( 0.3333333 0.5773503 0.2566964), wk = 0.0017825 k( 555) = ( 0.3333333 0.5773503 0.2640306), wk = 0.0017825 k( 556) = ( 0.3333333 0.5773503 0.2713648), wk = 0.0017825 k( 557) = ( 0.3333333 0.5773503 0.2786990), wk = 0.0017825 k( 558) = ( 0.3333333 0.5773503 0.2860332), wk = 0.0017825 k( 559) = ( 0.3333333 0.5773503 0.2933673), wk = 0.0017825 k( 560) = ( 0.3333333 0.5773503 0.3007015), wk = 0.0017825 k( 561) = ( 0.3333333 0.5773503 0.3080357), wk = 0.0017825 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017825 k( 2) = ( 0.0064103 0.0000000 -0.0000000), wk = 0.0017825 k( 3) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0017825 k( 4) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0017825 k( 5) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0017825 k( 6) = ( 0.0320513 0.0000000 0.0000000), wk = 0.0017825 k( 7) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0017825 k( 8) = ( 0.0448718 0.0000000 -0.0000000), wk = 0.0017825 k( 9) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0017825 k( 10) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0017825 k( 11) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0017825 k( 12) = ( 0.0705128 0.0000000 0.0000000), wk = 0.0017825 k( 13) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0017825 k( 14) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0017825 k( 15) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0017825 k( 16) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0017825 k( 17) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0017825 k( 18) = ( 0.1089744 0.0000000 0.0000000), wk = 0.0017825 k( 19) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0017825 k( 20) = ( 0.1217949 0.0000000 0.0000000), wk = 0.0017825 k( 21) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0017825 k( 22) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0017825 k( 23) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0017825 k( 24) = ( 0.1474359 0.0000000 -0.0000000), wk = 0.0017825 k( 25) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0017825 k( 26) = ( 0.1602564 0.0000000 0.0000000), wk = 0.0017825 k( 27) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0017825 k( 28) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0017825 k( 29) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0017825 k( 30) = ( 0.1858974 0.0000000 0.0000000), wk = 0.0017825 k( 31) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0017825 k( 32) = ( 0.1987180 0.0000000 0.0000000), wk = 0.0017825 k( 33) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0017825 k( 34) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0017825 k( 35) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0017825 k( 36) = ( 0.2243590 0.0000000 0.0000000), wk = 0.0017825 k( 37) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0017825 k( 38) = ( 0.2371795 0.0000000 0.0000000), wk = 0.0017825 k( 39) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0017825 k( 40) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0017825 k( 41) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0017825 k( 42) = ( 0.2628205 0.0000000 0.0000000), wk = 0.0017825 k( 43) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0017825 k( 44) = ( 0.2756410 0.0000000 -0.0000000), wk = 0.0017825 k( 45) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0017825 k( 46) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0017825 k( 47) = ( 0.2948718 0.0000000 -0.0000000), wk = 0.0017825 k( 48) = ( 0.3012821 0.0000000 0.0000000), wk = 0.0017825 k( 49) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0017825 k( 50) = ( 0.3141026 0.0000000 -0.0000000), wk = 0.0017825 k( 51) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0017825 k( 52) = ( 0.3269231 0.0000000 -0.0000000), wk = 0.0017825 k( 53) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0017825 k( 54) = ( 0.3397436 0.0000000 0.0000000), wk = 0.0017825 k( 55) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0017825 k( 56) = ( 0.3525641 0.0000000 0.0000000), wk = 0.0017825 k( 57) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0017825 k( 58) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0017825 k( 59) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0017825 k( 60) = ( 0.3782051 0.0000000 -0.0000000), wk = 0.0017825 k( 61) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0017825 k( 62) = ( 0.3910256 0.0000000 0.0000000), wk = 0.0017825 k( 63) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0017825 k( 64) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0017825 k( 65) = ( 0.4102564 0.0000000 -0.0000000), wk = 0.0017825 k( 66) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0017825 k( 67) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0017825 k( 68) = ( 0.4294872 0.0000000 0.0000000), wk = 0.0017825 k( 69) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0017825 k( 70) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0017825 k( 71) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0017825 k( 72) = ( 0.4551282 0.0000000 0.0000000), wk = 0.0017825 k( 73) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0017825 k( 74) = ( 0.4679487 0.0000000 0.0000000), wk = 0.0017825 k( 75) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0017825 k( 76) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0017825 k( 77) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0017825 k( 78) = ( 0.4935897 0.0000000 -0.0000000), wk = 0.0017825 k( 79) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0017825 k( 80) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0017825 k( 81) = ( 0.4962963 0.0074074 -0.0000000), wk = 0.0017825 k( 82) = ( 0.4925926 0.0148148 0.0000000), wk = 0.0017825 k( 83) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0017825 k( 84) = ( 0.4851852 0.0296296 0.0000000), wk = 0.0017825 k( 85) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0017825 k( 86) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0017825 k( 87) = ( 0.4740741 0.0518519 -0.0000000), wk = 0.0017825 k( 88) = ( 0.4703704 0.0592593 0.0000000), wk = 0.0017825 k( 89) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0017825 k( 90) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0017825 k( 91) = ( 0.4592593 0.0814815 0.0000000), wk = 0.0017825 k( 92) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0017825 k( 93) = ( 0.4518518 0.0962963 0.0000000), wk = 0.0017825 k( 94) = ( 0.4481482 0.1037037 -0.0000000), wk = 0.0017825 k( 95) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0017825 k( 96) = ( 0.4407407 0.1185185 0.0000000), wk = 0.0017825 k( 97) = ( 0.4370370 0.1259259 0.0000000), wk = 0.0017825 k( 98) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0017825 k( 99) = ( 0.4296296 0.1407407 0.0000000), wk = 0.0017825 k( 100) = ( 0.4259259 0.1481482 -0.0000000), wk = 0.0017825 k( 101) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0017825 k( 102) = ( 0.4185185 0.1629630 0.0000000), wk = 0.0017825 k( 103) = ( 0.4148148 0.1703704 0.0000000), wk = 0.0017825 k( 104) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0017825 k( 105) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0017825 k( 106) = ( 0.4037037 0.1925926 0.0000000), wk = 0.0017825 k( 107) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0017825 k( 108) = ( 0.3962963 0.2074074 0.0000000), wk = 0.0017825 k( 109) = ( 0.3925926 0.2148148 0.0000000), wk = 0.0017825 k( 110) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0017825 k( 111) = ( 0.3851852 0.2296296 0.0000000), wk = 0.0017825 k( 112) = ( 0.3814815 0.2370370 0.0000000), wk = 0.0017825 k( 113) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0017825 k( 114) = ( 0.3740741 0.2518518 0.0000000), wk = 0.0017825 k( 115) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0017825 k( 116) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0017825 k( 117) = ( 0.3629630 0.2740741 0.0000000), wk = 0.0017825 k( 118) = ( 0.3592593 0.2814815 0.0000000), wk = 0.0017825 k( 119) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0017825 k( 120) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0017825 k( 121) = ( 0.3481481 0.3037037 0.0000000), wk = 0.0017825 k( 122) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0017825 k( 123) = ( 0.3407407 0.3185185 0.0000000), wk = 0.0017825 k( 124) = ( 0.3370370 0.3259259 -0.0000000), wk = 0.0017825 k( 125) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0017825 k( 126) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0017825 k( 127) = ( 0.3296296 0.3296296 0.0000000), wk = 0.0017825 k( 128) = ( 0.3259259 0.3259259 -0.0000000), wk = 0.0017825 k( 129) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0017825 k( 130) = ( 0.3185185 0.3185185 0.0000000), wk = 0.0017825 k( 131) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0017825 k( 132) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0017825 k( 133) = ( 0.3074074 0.3074074 0.0000000), wk = 0.0017825 k( 134) = ( 0.3037037 0.3037037 0.0000000), wk = 0.0017825 k( 135) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0017825 k( 136) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0017825 k( 137) = ( 0.2925926 0.2925926 0.0000000), wk = 0.0017825 k( 138) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0017825 k( 139) = ( 0.2851852 0.2851852 0.0000000), wk = 0.0017825 k( 140) = ( 0.2814815 0.2814815 0.0000000), wk = 0.0017825 k( 141) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0017825 k( 142) = ( 0.2740741 0.2740741 0.0000000), wk = 0.0017825 k( 143) = ( 0.2703704 0.2703704 0.0000000), wk = 0.0017825 k( 144) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0017825 k( 145) = ( 0.2629630 0.2629630 -0.0000000), wk = 0.0017825 k( 146) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0017825 k( 147) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0017825 k( 148) = ( 0.2518518 0.2518519 0.0000000), wk = 0.0017825 k( 149) = ( 0.2481482 0.2481482 -0.0000000), wk = 0.0017825 k( 150) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0017825 k( 151) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0017825 k( 152) = ( 0.2370370 0.2370370 0.0000000), wk = 0.0017825 k( 153) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0017825 k( 154) = ( 0.2296296 0.2296296 0.0000000), wk = 0.0017825 k( 155) = ( 0.2259259 0.2259259 0.0000000), wk = 0.0017825 k( 156) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0017825 k( 157) = ( 0.2185185 0.2185185 -0.0000000), wk = 0.0017825 k( 158) = ( 0.2148148 0.2148148 0.0000000), wk = 0.0017825 k( 159) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0017825 k( 160) = ( 0.2074074 0.2074074 0.0000000), wk = 0.0017825 k( 161) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0017825 k( 162) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0017825 k( 163) = ( 0.1962963 0.1962963 -0.0000000), wk = 0.0017825 k( 164) = ( 0.1925926 0.1925926 0.0000000), wk = 0.0017825 k( 165) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0017825 k( 166) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0017825 k( 167) = ( 0.1814815 0.1814815 -0.0000000), wk = 0.0017825 k( 168) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0017825 k( 169) = ( 0.1740741 0.1740741 0.0000000), wk = 0.0017825 k( 170) = ( 0.1703704 0.1703704 0.0000000), wk = 0.0017825 k( 171) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0017825 k( 172) = ( 0.1629630 0.1629630 -0.0000000), wk = 0.0017825 k( 173) = ( 0.1592593 0.1592593 0.0000000), wk = 0.0017825 k( 174) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0017825 k( 175) = ( 0.1518519 0.1518519 0.0000000), wk = 0.0017825 k( 176) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0017825 k( 177) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0017825 k( 178) = ( 0.1407407 0.1407407 0.0000000), wk = 0.0017825 k( 179) = ( 0.1370370 0.1370370 -0.0000000), wk = 0.0017825 k( 180) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0017825 k( 181) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0017825 k( 182) = ( 0.1259259 0.1259259 -0.0000000), wk = 0.0017825 k( 183) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0017825 k( 184) = ( 0.1185185 0.1185185 0.0000000), wk = 0.0017825 k( 185) = ( 0.1148148 0.1148148 0.0000000), wk = 0.0017825 k( 186) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0017825 k( 187) = ( 0.1074074 0.1074074 0.0000000), wk = 0.0017825 k( 188) = ( 0.1037037 0.1037037 -0.0000000), wk = 0.0017825 k( 189) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0017825 k( 190) = ( 0.0962963 0.0962963 0.0000000), wk = 0.0017825 k( 191) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0017825 k( 192) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0017825 k( 193) = ( 0.0851852 0.0851852 0.0000000), wk = 0.0017825 k( 194) = ( 0.0814815 0.0814815 -0.0000000), wk = 0.0017825 k( 195) = ( 0.0777778 0.0777778 -0.0000000), wk = 0.0017825 k( 196) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0017825 k( 197) = ( 0.0703704 0.0703704 0.0000000), wk = 0.0017825 k( 198) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0017825 k( 199) = ( 0.0629630 0.0629630 0.0000000), wk = 0.0017825 k( 200) = ( 0.0592593 0.0592593 0.0000000), wk = 0.0017825 k( 201) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0017825 k( 202) = ( 0.0518518 0.0518518 -0.0000000), wk = 0.0017825 k( 203) = ( 0.0481482 0.0481482 0.0000000), wk = 0.0017825 k( 204) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0017825 k( 205) = ( 0.0407407 0.0407407 -0.0000000), wk = 0.0017825 k( 206) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0017825 k( 207) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0017825 k( 208) = ( 0.0296296 0.0296296 0.0000000), wk = 0.0017825 k( 209) = ( 0.0259259 0.0259259 -0.0000000), wk = 0.0017825 k( 210) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0017825 k( 211) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0017825 k( 212) = ( 0.0148148 0.0148148 -0.0000000), wk = 0.0017825 k( 213) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0017825 k( 214) = ( 0.0074074 0.0074074 0.0000000), wk = 0.0017825 k( 215) = ( 0.0037037 0.0037037 0.0000000), wk = 0.0017825 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017825 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017825 k( 218) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0017825 k( 219) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0017825 k( 220) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0017825 k( 221) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0017825 k( 222) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0017825 k( 223) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0017825 k( 224) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0017825 k( 225) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0017825 k( 226) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0017825 k( 227) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0017825 k( 228) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0017825 k( 229) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0017825 k( 230) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0017825 k( 231) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0017825 k( 232) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0017825 k( 233) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0017825 k( 234) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0017825 k( 235) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0017825 k( 236) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0017825 k( 237) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0017825 k( 238) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0017825 k( 239) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0017825 k( 240) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0017825 k( 241) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0017825 k( 242) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0017825 k( 243) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0017825 k( 244) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0017825 k( 245) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0017825 k( 246) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0017825 k( 247) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0017825 k( 248) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0017825 k( 249) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0017825 k( 250) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0017825 k( 251) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0017825 k( 252) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0017825 k( 253) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0017825 k( 254) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0017825 k( 255) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0017825 k( 256) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0017825 k( 257) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0017825 k( 258) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0017825 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017825 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017825 k( 261) = ( 0.0064103 0.0000000 0.5000000), wk = 0.0017825 k( 262) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0017825 k( 263) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0017825 k( 264) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0017825 k( 265) = ( 0.0320513 0.0000000 0.5000000), wk = 0.0017825 k( 266) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0017825 k( 267) = ( 0.0448718 0.0000000 0.5000000), wk = 0.0017825 k( 268) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0017825 k( 269) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0017825 k( 270) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0017825 k( 271) = ( 0.0705128 0.0000000 0.5000000), wk = 0.0017825 k( 272) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0017825 k( 273) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0017825 k( 274) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0017825 k( 275) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0017825 k( 276) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0017825 k( 277) = ( 0.1089744 0.0000000 0.5000000), wk = 0.0017825 k( 278) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0017825 k( 279) = ( 0.1217949 0.0000000 0.5000000), wk = 0.0017825 k( 280) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0017825 k( 281) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0017825 k( 282) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0017825 k( 283) = ( 0.1474359 0.0000000 0.5000000), wk = 0.0017825 k( 284) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0017825 k( 285) = ( 0.1602564 0.0000000 0.5000000), wk = 0.0017825 k( 286) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0017825 k( 287) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0017825 k( 288) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0017825 k( 289) = ( 0.1858974 0.0000000 0.5000000), wk = 0.0017825 k( 290) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0017825 k( 291) = ( 0.1987180 0.0000000 0.5000000), wk = 0.0017825 k( 292) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0017825 k( 293) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0017825 k( 294) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0017825 k( 295) = ( 0.2243590 0.0000000 0.5000000), wk = 0.0017825 k( 296) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0017825 k( 297) = ( 0.2371795 0.0000000 0.5000000), wk = 0.0017825 k( 298) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0017825 k( 299) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0017825 k( 300) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0017825 k( 301) = ( 0.2628205 0.0000000 0.5000000), wk = 0.0017825 k( 302) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0017825 k( 303) = ( 0.2756410 0.0000000 0.5000000), wk = 0.0017825 k( 304) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0017825 k( 305) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0017825 k( 306) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0017825 k( 307) = ( 0.3012821 0.0000000 0.5000000), wk = 0.0017825 k( 308) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0017825 k( 309) = ( 0.3141026 0.0000000 0.5000000), wk = 0.0017825 k( 310) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0017825 k( 311) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0017825 k( 312) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0017825 k( 313) = ( 0.3397436 0.0000000 0.5000000), wk = 0.0017825 k( 314) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0017825 k( 315) = ( 0.3525641 0.0000000 0.5000000), wk = 0.0017825 k( 316) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0017825 k( 317) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0017825 k( 318) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0017825 k( 319) = ( 0.3782051 0.0000000 0.5000000), wk = 0.0017825 k( 320) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0017825 k( 321) = ( 0.3910256 0.0000000 0.5000000), wk = 0.0017825 k( 322) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0017825 k( 323) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0017825 k( 324) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0017825 k( 325) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0017825 k( 326) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0017825 k( 327) = ( 0.4294872 0.0000000 0.5000000), wk = 0.0017825 k( 328) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0017825 k( 329) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0017825 k( 330) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0017825 k( 331) = ( 0.4551282 0.0000000 0.5000000), wk = 0.0017825 k( 332) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0017825 k( 333) = ( 0.4679487 0.0000000 0.5000000), wk = 0.0017825 k( 334) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0017825 k( 335) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0017825 k( 336) = ( 0.4871795 0.0000000 0.5000000), wk = 0.0017825 k( 337) = ( 0.4935897 0.0000000 0.5000000), wk = 0.0017825 k( 338) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017825 k( 339) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017825 k( 340) = ( 0.4962963 0.0074074 0.5000000), wk = 0.0017825 k( 341) = ( 0.4925926 0.0148148 0.5000000), wk = 0.0017825 k( 342) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0017825 k( 343) = ( 0.4851852 0.0296296 0.5000000), wk = 0.0017825 k( 344) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0017825 k( 345) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0017825 k( 346) = ( 0.4740741 0.0518519 0.5000000), wk = 0.0017825 k( 347) = ( 0.4703704 0.0592593 0.5000000), wk = 0.0017825 k( 348) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0017825 k( 349) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0017825 k( 350) = ( 0.4592593 0.0814815 0.5000000), wk = 0.0017825 k( 351) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0017825 k( 352) = ( 0.4518518 0.0962963 0.5000000), wk = 0.0017825 k( 353) = ( 0.4481482 0.1037037 0.5000000), wk = 0.0017825 k( 354) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0017825 k( 355) = ( 0.4407407 0.1185185 0.5000000), wk = 0.0017825 k( 356) = ( 0.4370370 0.1259259 0.5000000), wk = 0.0017825 k( 357) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0017825 k( 358) = ( 0.4296296 0.1407407 0.5000000), wk = 0.0017825 k( 359) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0017825 k( 360) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0017825 k( 361) = ( 0.4185185 0.1629630 0.5000000), wk = 0.0017825 k( 362) = ( 0.4148148 0.1703704 0.5000000), wk = 0.0017825 k( 363) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0017825 k( 364) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0017825 k( 365) = ( 0.4037037 0.1925926 0.5000000), wk = 0.0017825 k( 366) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0017825 k( 367) = ( 0.3962963 0.2074074 0.5000000), wk = 0.0017825 k( 368) = ( 0.3925926 0.2148148 0.5000000), wk = 0.0017825 k( 369) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0017825 k( 370) = ( 0.3851852 0.2296296 0.5000000), wk = 0.0017825 k( 371) = ( 0.3814815 0.2370370 0.5000000), wk = 0.0017825 k( 372) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0017825 k( 373) = ( 0.3740741 0.2518518 0.5000000), wk = 0.0017825 k( 374) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0017825 k( 375) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0017825 k( 376) = ( 0.3629630 0.2740741 0.5000000), wk = 0.0017825 k( 377) = ( 0.3592593 0.2814815 0.5000000), wk = 0.0017825 k( 378) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0017825 k( 379) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0017825 k( 380) = ( 0.3481481 0.3037037 0.5000000), wk = 0.0017825 k( 381) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0017825 k( 382) = ( 0.3407407 0.3185185 0.5000000), wk = 0.0017825 k( 383) = ( 0.3370370 0.3259259 0.5000000), wk = 0.0017825 k( 384) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0017825 k( 385) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0017825 k( 386) = ( 0.3296296 0.3296296 0.5000000), wk = 0.0017825 k( 387) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0017825 k( 388) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0017825 k( 389) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0017825 k( 390) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0017825 k( 391) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0017825 k( 392) = ( 0.3074074 0.3074074 0.5000000), wk = 0.0017825 k( 393) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0017825 k( 394) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0017825 k( 395) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0017825 k( 396) = ( 0.2925926 0.2925926 0.5000000), wk = 0.0017825 k( 397) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0017825 k( 398) = ( 0.2851852 0.2851852 0.5000000), wk = 0.0017825 k( 399) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0017825 k( 400) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0017825 k( 401) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0017825 k( 402) = ( 0.2703704 0.2703704 0.5000000), wk = 0.0017825 k( 403) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0017825 k( 404) = ( 0.2629630 0.2629630 0.5000000), wk = 0.0017825 k( 405) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0017825 k( 406) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0017825 k( 407) = ( 0.2518518 0.2518519 0.5000000), wk = 0.0017825 k( 408) = ( 0.2481482 0.2481482 0.5000000), wk = 0.0017825 k( 409) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0017825 k( 410) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0017825 k( 411) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0017825 k( 412) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0017825 k( 413) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0017825 k( 414) = ( 0.2259259 0.2259259 0.5000000), wk = 0.0017825 k( 415) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0017825 k( 416) = ( 0.2185185 0.2185185 0.5000000), wk = 0.0017825 k( 417) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0017825 k( 418) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0017825 k( 419) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0017825 k( 420) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0017825 k( 421) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0017825 k( 422) = ( 0.1962963 0.1962963 0.5000000), wk = 0.0017825 k( 423) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0017825 k( 424) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0017825 k( 425) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0017825 k( 426) = ( 0.1814815 0.1814815 0.5000000), wk = 0.0017825 k( 427) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0017825 k( 428) = ( 0.1740741 0.1740741 0.5000000), wk = 0.0017825 k( 429) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0017825 k( 430) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0017825 k( 431) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0017825 k( 432) = ( 0.1592593 0.1592593 0.5000000), wk = 0.0017825 k( 433) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0017825 k( 434) = ( 0.1518519 0.1518519 0.5000000), wk = 0.0017825 k( 435) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0017825 k( 436) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0017825 k( 437) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0017825 k( 438) = ( 0.1370370 0.1370370 0.5000000), wk = 0.0017825 k( 439) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0017825 k( 440) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0017825 k( 441) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0017825 k( 442) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0017825 k( 443) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0017825 k( 444) = ( 0.1148148 0.1148148 0.5000000), wk = 0.0017825 k( 445) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0017825 k( 446) = ( 0.1074074 0.1074074 0.5000000), wk = 0.0017825 k( 447) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0017825 k( 448) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0017825 k( 449) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0017825 k( 450) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0017825 k( 451) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0017825 k( 452) = ( 0.0851852 0.0851852 0.5000000), wk = 0.0017825 k( 453) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0017825 k( 454) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0017825 k( 455) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0017825 k( 456) = ( 0.0703704 0.0703704 0.5000000), wk = 0.0017825 k( 457) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0017825 k( 458) = ( 0.0629630 0.0629630 0.5000000), wk = 0.0017825 k( 459) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0017825 k( 460) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0017825 k( 461) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0017825 k( 462) = ( 0.0481482 0.0481482 0.5000000), wk = 0.0017825 k( 463) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0017825 k( 464) = ( 0.0407407 0.0407407 0.5000000), wk = 0.0017825 k( 465) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0017825 k( 466) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0017825 k( 467) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0017825 k( 468) = ( 0.0259259 0.0259259 0.5000000), wk = 0.0017825 k( 469) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0017825 k( 470) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0017825 k( 471) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0017825 k( 472) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0017825 k( 473) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0017825 k( 474) = ( 0.0037037 0.0037037 0.5000000), wk = 0.0017825 k( 475) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017825 k( 476) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017825 k( 477) = ( 0.5000000 0.0000000 0.4880952), wk = 0.0017825 k( 478) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0017825 k( 479) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0017825 k( 480) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0017825 k( 481) = ( 0.5000000 0.0000000 0.4404762), wk = 0.0017825 k( 482) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0017825 k( 483) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0017825 k( 484) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0017825 k( 485) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0017825 k( 486) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0017825 k( 487) = ( 0.5000000 0.0000000 0.3690476), wk = 0.0017825 k( 488) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0017825 k( 489) = ( 0.5000000 0.0000000 0.3452381), wk = 0.0017825 k( 490) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0017825 k( 491) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0017825 k( 492) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0017825 k( 493) = ( 0.5000000 0.0000000 0.2976190), wk = 0.0017825 k( 494) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0017825 k( 495) = ( 0.5000000 0.0000000 0.2738095), wk = 0.0017825 k( 496) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0017825 k( 497) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0017825 k( 498) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0017825 k( 499) = ( 0.5000000 0.0000000 0.2261905), wk = 0.0017825 k( 500) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0017825 k( 501) = ( 0.5000000 0.0000000 0.2023810), wk = 0.0017825 k( 502) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0017825 k( 503) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0017825 k( 504) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0017825 k( 505) = ( 0.5000000 0.0000000 0.1547619), wk = 0.0017825 k( 506) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0017825 k( 507) = ( 0.5000000 0.0000000 0.1309524), wk = 0.0017825 k( 508) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0017825 k( 509) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0017825 k( 510) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0017825 k( 511) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0017825 k( 512) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0017825 k( 513) = ( 0.5000000 0.0000000 0.0595238), wk = 0.0017825 k( 514) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0017825 k( 515) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0017825 k( 516) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0017825 k( 517) = ( 0.5000000 0.0000000 0.0119048), wk = 0.0017825 k( 518) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0017825 k( 519) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0017825 k( 520) = ( 0.3333333 0.3333333 0.0119048), wk = 0.0017825 k( 521) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0017825 k( 522) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0017825 k( 523) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0017825 k( 524) = ( 0.3333333 0.3333333 0.0595238), wk = 0.0017825 k( 525) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0017825 k( 526) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0017825 k( 527) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0017825 k( 528) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0017825 k( 529) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0017825 k( 530) = ( 0.3333333 0.3333333 0.1309524), wk = 0.0017825 k( 531) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0017825 k( 532) = ( 0.3333333 0.3333333 0.1547619), wk = 0.0017825 k( 533) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0017825 k( 534) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0017825 k( 535) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0017825 k( 536) = ( 0.3333333 0.3333333 0.2023810), wk = 0.0017825 k( 537) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0017825 k( 538) = ( 0.3333333 0.3333333 0.2261905), wk = 0.0017825 k( 539) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0017825 k( 540) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0017825 k( 541) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0017825 k( 542) = ( 0.3333333 0.3333333 0.2738095), wk = 0.0017825 k( 543) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0017825 k( 544) = ( 0.3333333 0.3333333 0.2976190), wk = 0.0017825 k( 545) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0017825 k( 546) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0017825 k( 547) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0017825 k( 548) = ( 0.3333333 0.3333333 0.3452381), wk = 0.0017825 k( 549) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0017825 k( 550) = ( 0.3333333 0.3333333 0.3690476), wk = 0.0017825 k( 551) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0017825 k( 552) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0017825 k( 553) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0017825 k( 554) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0017825 k( 555) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0017825 k( 556) = ( 0.3333333 0.3333333 0.4404762), wk = 0.0017825 k( 557) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0017825 k( 558) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0017825 k( 559) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0017825 k( 560) = ( 0.3333333 0.3333333 0.4880952), wk = 0.0017825 k( 561) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0017825 Dense grid: 7511 G-vectors FFT dimensions: ( 24, 24, 36) Smooth grid: 5203 G-vectors FFT dimensions: ( 20, 20, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 48, 24) NL pseudopotentials 0.02 Mb ( 24, 68) Each V/rho on FFT grid 0.01 Mb ( 576) Each G-vector array 0.00 Mb ( 213) G-vector shells 0.00 Mb ( 111) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 48, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.05 Mb ( 68, 2, 24) The potential is recalculated from file : ./Fe.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 1.4 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.5 secs Computing kpt #: 5 total cpu time spent up to now is 1.6 secs Computing kpt #: 6 total cpu time spent up to now is 1.6 secs Computing kpt #: 7 total cpu time spent up to now is 1.7 secs Computing kpt #: 8 total cpu time spent up to now is 1.7 secs Computing kpt #: 9 total cpu time spent up to now is 1.8 secs Computing kpt #: 10 total cpu time spent up to now is 1.8 secs Computing kpt #: 11 total cpu time spent up to now is 1.9 secs Computing kpt #: 12 total cpu time spent up to now is 2.0 secs Computing kpt #: 13 total cpu time spent up to now is 2.0 secs Computing kpt #: 14 total cpu time spent up to now is 2.1 secs Computing kpt #: 15 total cpu time spent up to now is 2.1 secs Computing kpt #: 16 total cpu time spent up to now is 2.2 secs Computing kpt #: 17 total cpu time spent up to now is 2.2 secs Computing kpt #: 18 total cpu time spent up to now is 2.3 secs Computing kpt #: 19 total cpu time spent up to now is 2.4 secs Computing kpt #: 20 total cpu time spent up to now is 2.4 secs Computing kpt #: 21 total cpu time spent up to now is 2.5 secs Computing kpt #: 22 total cpu time spent up to now is 2.6 secs Computing kpt #: 23 total cpu time spent up to now is 2.6 secs Computing kpt #: 24 total cpu time spent up to now is 2.7 secs Computing kpt #: 25 total cpu time spent up to now is 2.7 secs Computing kpt #: 26 total cpu time spent up to now is 2.8 secs Computing kpt #: 27 total cpu time spent up to now is 2.8 secs Computing kpt #: 28 total cpu time spent up to now is 2.9 secs Computing kpt #: 29 total cpu time spent up to now is 2.9 secs Computing kpt #: 30 total cpu time spent up to now is 3.0 secs Computing kpt #: 31 total cpu time spent up to now is 3.1 secs Computing kpt #: 32 total cpu time spent up to now is 3.1 secs Computing kpt #: 33 total cpu time spent up to now is 3.2 secs Computing kpt #: 34 total cpu time spent up to now is 3.2 secs Computing kpt #: 35 total cpu time spent up to now is 3.3 secs Computing kpt #: 36 total cpu time spent up to now is 3.3 secs Computing kpt #: 37 total cpu time spent up to now is 3.4 secs Computing kpt #: 38 total cpu time spent up to now is 3.5 secs Computing kpt #: 39 total cpu time spent up to now is 3.5 secs Computing kpt #: 40 total cpu time spent up to now is 3.6 secs Computing kpt #: 41 total cpu time spent up to now is 3.6 secs Computing kpt #: 42 total cpu time spent up to now is 3.7 secs Computing kpt #: 43 total cpu time spent up to now is 3.8 secs Computing kpt #: 44 total cpu time spent up to now is 3.8 secs Computing kpt #: 45 total cpu time spent up to now is 3.9 secs Computing kpt #: 46 total cpu time spent up to now is 4.0 secs Computing kpt #: 47 total cpu time spent up to now is 4.1 secs Computing kpt #: 48 total cpu time spent up to now is 4.1 secs Computing kpt #: 49 total cpu time spent up to now is 4.2 secs Computing kpt #: 50 total cpu time spent up to now is 4.3 secs Computing kpt #: 51 total cpu time spent up to now is 4.4 secs Computing kpt #: 52 total cpu time spent up to now is 4.5 secs Computing kpt #: 53 total cpu time spent up to now is 4.5 secs Computing kpt #: 54 total cpu time spent up to now is 4.6 secs Computing kpt #: 55 total cpu time spent up to now is 4.7 secs Computing kpt #: 56 total cpu time spent up to now is 4.8 secs Computing kpt #: 57 total cpu time spent up to now is 4.9 secs Computing kpt #: 58 total cpu time spent up to now is 5.0 secs Computing kpt #: 59 total cpu time spent up to now is 5.1 secs Computing kpt #: 60 total cpu time spent up to now is 5.2 secs Computing kpt #: 61 total cpu time spent up to now is 5.2 secs Computing kpt #: 62 total cpu time spent up to now is 5.3 secs Computing kpt #: 63 total cpu time spent up to now is 5.4 secs Computing kpt #: 64 total cpu time spent up to now is 5.5 secs Computing kpt #: 65 total cpu time spent up to now is 5.5 secs Computing kpt #: 66 total cpu time spent up to now is 5.6 secs Computing kpt #: 67 total cpu time spent up to now is 5.7 secs Computing kpt #: 68 total cpu time spent up to now is 5.7 secs Computing kpt #: 69 total cpu time spent up to now is 5.8 secs Computing kpt #: 70 total cpu time spent up to now is 5.9 secs Computing kpt #: 71 total cpu time spent up to now is 5.9 secs Computing kpt #: 72 total cpu time spent up to now is 6.0 secs Computing kpt #: 73 total cpu time spent up to now is 6.0 secs Computing kpt #: 74 total cpu time spent up to now is 6.1 secs Computing kpt #: 75 total cpu time spent up to now is 6.2 secs Computing kpt #: 76 total cpu time spent up to now is 6.2 secs Computing kpt #: 77 total cpu time spent up to now is 6.3 secs Computing kpt #: 78 total cpu time spent up to now is 6.3 secs Computing kpt #: 79 total cpu time spent up to now is 6.4 secs Computing kpt #: 80 total cpu time spent up to now is 6.5 secs Computing kpt #: 81 total cpu time spent up to now is 6.5 secs Computing kpt #: 82 total cpu time spent up to now is 6.6 secs Computing kpt #: 83 total cpu time spent up to now is 6.6 secs Computing kpt #: 84 total cpu time spent up to now is 6.7 secs Computing kpt #: 85 total cpu time spent up to now is 6.7 secs Computing kpt #: 86 total cpu time spent up to now is 6.8 secs Computing kpt #: 87 total cpu time spent up to now is 6.9 secs Computing kpt #: 88 total cpu time spent up to now is 6.9 secs Computing kpt #: 89 total cpu time spent up to now is 7.0 secs Computing kpt #: 90 total cpu time spent up to now is 7.0 secs Computing kpt #: 91 total cpu time spent up to now is 7.1 secs Computing kpt #: 92 total cpu time spent up to now is 7.1 secs Computing kpt #: 93 total cpu time spent up to now is 7.2 secs Computing kpt #: 94 total cpu time spent up to now is 7.3 secs Computing kpt #: 95 total cpu time spent up to now is 7.4 secs Computing kpt #: 96 total cpu time spent up to now is 7.4 secs Computing kpt #: 97 total cpu time spent up to now is 7.5 secs Computing kpt #: 98 total cpu time spent up to now is 7.6 secs Computing kpt #: 99 total cpu time spent up to now is 7.6 secs Computing kpt #: 100 total cpu time spent up to now is 7.7 secs Computing kpt #: 101 total cpu time spent up to now is 7.7 secs Computing kpt #: 102 total cpu time spent up to now is 7.8 secs Computing kpt #: 103 total cpu time spent up to now is 7.9 secs Computing kpt #: 104 total cpu time spent up to now is 7.9 secs Computing kpt #: 105 total cpu time spent up to now is 8.0 secs Computing kpt #: 106 total cpu time spent up to now is 8.0 secs Computing kpt #: 107 total cpu time spent up to now is 8.1 secs Computing kpt #: 108 total cpu time spent up to now is 8.2 secs Computing kpt #: 109 total cpu time spent up to now is 8.2 secs Computing kpt #: 110 total cpu time spent up to now is 8.3 secs Computing kpt #: 111 total cpu time spent up to now is 8.4 secs Computing kpt #: 112 total cpu time spent up to now is 8.4 secs Computing kpt #: 113 total cpu time spent up to now is 8.5 secs Computing kpt #: 114 total cpu time spent up to now is 8.5 secs Computing kpt #: 115 total cpu time spent up to now is 8.6 secs Computing kpt #: 116 total cpu time spent up to now is 8.7 secs Computing kpt #: 117 total cpu time spent up to now is 8.7 secs Computing kpt #: 118 total cpu time spent up to now is 8.8 secs Computing kpt #: 119 total cpu time spent up to now is 8.9 secs Computing kpt #: 120 total cpu time spent up to now is 8.9 secs Computing kpt #: 121 total cpu time spent up to now is 9.0 secs Computing kpt #: 122 total cpu time spent up to now is 9.1 secs Computing kpt #: 123 total cpu time spent up to now is 9.2 secs Computing kpt #: 124 total cpu time spent up to now is 9.2 secs Computing kpt #: 125 total cpu time spent up to now is 9.3 secs Computing kpt #: 126 total cpu time spent up to now is 9.4 secs Computing kpt #: 127 total cpu time spent up to now is 9.5 secs Computing kpt #: 128 total cpu time spent up to now is 9.6 secs Computing kpt #: 129 total cpu time spent up to now is 9.7 secs Computing kpt #: 130 total cpu time spent up to now is 9.8 secs Computing kpt #: 131 total cpu time spent up to now is 9.8 secs Computing kpt #: 132 total cpu time spent up to now is 9.9 secs Computing kpt #: 133 total cpu time spent up to now is 10.0 secs Computing kpt #: 134 total cpu time spent up to now is 10.1 secs Computing kpt #: 135 total cpu time spent up to now is 10.2 secs Computing kpt #: 136 total cpu time spent up to now is 10.3 secs Computing kpt #: 137 total cpu time spent up to now is 10.4 secs Computing kpt #: 138 total cpu time spent up to now is 10.5 secs Computing kpt #: 139 total cpu time spent up to now is 10.6 secs Computing kpt #: 140 total cpu time spent up to now is 10.7 secs Computing kpt #: 141 total cpu time spent up to now is 10.8 secs Computing kpt #: 142 total cpu time spent up to now is 10.9 secs Computing kpt #: 143 total cpu time spent up to now is 11.0 secs Computing kpt #: 144 total cpu time spent up to now is 11.1 secs Computing kpt #: 145 total cpu time spent up to now is 11.2 secs Computing kpt #: 146 total cpu time spent up to now is 11.3 secs Computing kpt #: 147 total cpu time spent up to now is 11.4 secs Computing kpt #: 148 total cpu time spent up to now is 11.5 secs Computing kpt #: 149 total cpu time spent up to now is 11.6 secs Computing kpt #: 150 total cpu time spent up to now is 11.6 secs Computing kpt #: 151 total cpu time spent up to now is 11.7 secs Computing kpt #: 152 total cpu time spent up to now is 11.8 secs Computing kpt #: 153 total cpu time spent up to now is 11.9 secs Computing kpt #: 154 total cpu time spent up to now is 12.0 secs Computing kpt #: 155 total cpu time spent up to now is 12.1 secs Computing kpt #: 156 total cpu time spent up to now is 12.2 secs Computing kpt #: 157 total cpu time spent up to now is 12.3 secs Computing kpt #: 158 total cpu time spent up to now is 12.4 secs Computing kpt #: 159 total cpu time spent up to now is 12.5 secs Computing kpt #: 160 total cpu time spent up to now is 12.6 secs Computing kpt #: 161 total cpu time spent up to now is 12.7 secs Computing kpt #: 162 total cpu time spent up to now is 12.8 secs Computing kpt #: 163 total cpu time spent up to now is 12.8 secs Computing kpt #: 164 total cpu time spent up to now is 12.9 secs Computing kpt #: 165 total cpu time spent up to now is 13.0 secs Computing kpt #: 166 total cpu time spent up to now is 13.1 secs Computing kpt #: 167 total cpu time spent up to now is 13.1 secs Computing kpt #: 168 total cpu time spent up to now is 13.2 secs Computing kpt #: 169 total cpu time spent up to now is 13.3 secs Computing kpt #: 170 total cpu time spent up to now is 13.4 secs Computing kpt #: 171 total cpu time spent up to now is 13.4 secs Computing kpt #: 172 total cpu time spent up to now is 13.5 secs Computing kpt #: 173 total cpu time spent up to now is 13.6 secs Computing kpt #: 174 total cpu time spent up to now is 13.6 secs Computing kpt #: 175 total cpu time spent up to now is 13.7 secs Computing kpt #: 176 total cpu time spent up to now is 13.8 secs Computing kpt #: 177 total cpu time spent up to now is 13.8 secs Computing kpt #: 178 total cpu time spent up to now is 13.9 secs Computing kpt #: 179 total cpu time spent up to now is 14.0 secs Computing kpt #: 180 total cpu time spent up to now is 14.0 secs Computing kpt #: 181 total cpu time spent up to now is 14.1 secs Computing kpt #: 182 total cpu time spent up to now is 14.1 secs Computing kpt #: 183 total cpu time spent up to now is 14.2 secs Computing kpt #: 184 total cpu time spent up to now is 14.2 secs Computing kpt #: 185 total cpu time spent up to now is 14.3 secs Computing kpt #: 186 total cpu time spent up to now is 14.3 secs Computing kpt #: 187 total cpu time spent up to now is 14.4 secs Computing kpt #: 188 total cpu time spent up to now is 14.5 secs Computing kpt #: 189 total cpu time spent up to now is 14.5 secs Computing kpt #: 190 total cpu time spent up to now is 14.6 secs Computing kpt #: 191 total cpu time spent up to now is 14.6 secs Computing kpt #: 192 total cpu time spent up to now is 14.7 secs Computing kpt #: 193 total cpu time spent up to now is 14.7 secs Computing kpt #: 194 total cpu time spent up to now is 14.8 secs Computing kpt #: 195 total cpu time spent up to now is 14.8 secs Computing kpt #: 196 total cpu time spent up to now is 14.9 secs Computing kpt #: 197 total cpu time spent up to now is 14.9 secs Computing kpt #: 198 total cpu time spent up to now is 15.0 secs Computing kpt #: 199 total cpu time spent up to now is 15.1 secs Computing kpt #: 200 total cpu time spent up to now is 15.1 secs Computing kpt #: 201 total cpu time spent up to now is 15.2 secs Computing kpt #: 202 total cpu time spent up to now is 15.2 secs Computing kpt #: 203 total cpu time spent up to now is 15.3 secs Computing kpt #: 204 total cpu time spent up to now is 15.3 secs Computing kpt #: 205 total cpu time spent up to now is 15.4 secs Computing kpt #: 206 total cpu time spent up to now is 15.4 secs Computing kpt #: 207 total cpu time spent up to now is 15.5 secs Computing kpt #: 208 total cpu time spent up to now is 15.5 secs Computing kpt #: 209 total cpu time spent up to now is 15.6 secs Computing kpt #: 210 total cpu time spent up to now is 15.6 secs Computing kpt #: 211 total cpu time spent up to now is 15.7 secs Computing kpt #: 212 total cpu time spent up to now is 15.8 secs Computing kpt #: 213 total cpu time spent up to now is 15.8 secs Computing kpt #: 214 total cpu time spent up to now is 15.9 secs Computing kpt #: 215 total cpu time spent up to now is 15.9 secs Computing kpt #: 216 total cpu time spent up to now is 16.0 secs Computing kpt #: 217 total cpu time spent up to now is 16.0 secs Computing kpt #: 218 total cpu time spent up to now is 16.1 secs Computing kpt #: 219 total cpu time spent up to now is 16.1 secs Computing kpt #: 220 total cpu time spent up to now is 16.2 secs Computing kpt #: 221 total cpu time spent up to now is 16.3 secs Computing kpt #: 222 total cpu time spent up to now is 16.3 secs Computing kpt #: 223 total cpu time spent up to now is 16.4 secs Computing kpt #: 224 total cpu time spent up to now is 16.4 secs Computing kpt #: 225 total cpu time spent up to now is 16.5 secs Computing kpt #: 226 total cpu time spent up to now is 16.6 secs Computing kpt #: 227 total cpu time spent up to now is 16.6 secs Computing kpt #: 228 total cpu time spent up to now is 16.7 secs Computing kpt #: 229 total cpu time spent up to now is 16.7 secs Computing kpt #: 230 total cpu time spent up to now is 16.8 secs Computing kpt #: 231 total cpu time spent up to now is 16.9 secs Computing kpt #: 232 total cpu time spent up to now is 16.9 secs Computing kpt #: 233 total cpu time spent up to now is 17.0 secs Computing kpt #: 234 total cpu time spent up to now is 17.0 secs Computing kpt #: 235 total cpu time spent up to now is 17.1 secs Computing kpt #: 236 total cpu time spent up to now is 17.1 secs Computing kpt #: 237 total cpu time spent up to now is 17.2 secs Computing kpt #: 238 total cpu time spent up to now is 17.2 secs Computing kpt #: 239 total cpu time spent up to now is 17.3 secs Computing kpt #: 240 total cpu time spent up to now is 17.4 secs Computing kpt #: 241 total cpu time spent up to now is 17.4 secs Computing kpt #: 242 total cpu time spent up to now is 17.5 secs Computing kpt #: 243 total cpu time spent up to now is 17.5 secs Computing kpt #: 244 total cpu time spent up to now is 17.6 secs Computing kpt #: 245 total cpu time spent up to now is 17.6 secs Computing kpt #: 246 total cpu time spent up to now is 17.7 secs Computing kpt #: 247 total cpu time spent up to now is 17.7 secs Computing kpt #: 248 total cpu time spent up to now is 17.8 secs Computing kpt #: 249 total cpu time spent up to now is 17.8 secs Computing kpt #: 250 total cpu time spent up to now is 17.9 secs Computing kpt #: 251 total cpu time spent up to now is 18.0 secs Computing kpt #: 252 total cpu time spent up to now is 18.0 secs Computing kpt #: 253 total cpu time spent up to now is 18.1 secs Computing kpt #: 254 total cpu time spent up to now is 18.1 secs Computing kpt #: 255 total cpu time spent up to now is 18.2 secs Computing kpt #: 256 total cpu time spent up to now is 18.2 secs Computing kpt #: 257 total cpu time spent up to now is 18.3 secs Computing kpt #: 258 total cpu time spent up to now is 18.3 secs Computing kpt #: 259 total cpu time spent up to now is 18.4 secs Computing kpt #: 260 total cpu time spent up to now is 18.5 secs Computing kpt #: 261 total cpu time spent up to now is 18.5 secs Computing kpt #: 262 total cpu time spent up to now is 18.6 secs Computing kpt #: 263 total cpu time spent up to now is 18.6 secs Computing kpt #: 264 total cpu time spent up to now is 18.7 secs Computing kpt #: 265 total cpu time spent up to now is 18.7 secs Computing kpt #: 266 total cpu time spent up to now is 18.8 secs Computing kpt #: 267 total cpu time spent up to now is 18.8 secs Computing kpt #: 268 total cpu time spent up to now is 18.9 secs Computing kpt #: 269 total cpu time spent up to now is 19.0 secs Computing kpt #: 270 total cpu time spent up to now is 19.0 secs Computing kpt #: 271 total cpu time spent up to now is 19.1 secs Computing kpt #: 272 total cpu time spent up to now is 19.1 secs Computing kpt #: 273 total cpu time spent up to now is 19.2 secs Computing kpt #: 274 total cpu time spent up to now is 19.2 secs Computing kpt #: 275 total cpu time spent up to now is 19.3 secs Computing kpt #: 276 total cpu time spent up to now is 19.3 secs Computing kpt #: 277 total cpu time spent up to now is 19.4 secs Computing kpt #: 278 total cpu time spent up to now is 19.4 secs Computing kpt #: 279 total cpu time spent up to now is 19.5 secs Computing kpt #: 280 total cpu time spent up to now is 19.5 secs Computing kpt #: 281 total cpu time spent up to now is 19.6 secs Computing kpt #: 282 total cpu time spent up to now is 19.7 secs Computing kpt #: 283 total cpu time spent up to now is 19.7 secs Computing kpt #: 284 total cpu time spent up to now is 19.8 secs Computing kpt #: 285 total cpu time spent up to now is 19.8 secs Computing kpt #: 286 total cpu time spent up to now is 19.9 secs Computing kpt #: 287 total cpu time spent up to now is 19.9 secs Computing kpt #: 288 total cpu time spent up to now is 20.0 secs Computing kpt #: 289 total cpu time spent up to now is 20.0 secs Computing kpt #: 290 total cpu time spent up to now is 20.1 secs Computing kpt #: 291 total cpu time spent up to now is 20.1 secs Computing kpt #: 292 total cpu time spent up to now is 20.2 secs Computing kpt #: 293 total cpu time spent up to now is 20.2 secs Computing kpt #: 294 total cpu time spent up to now is 20.3 secs Computing kpt #: 295 total cpu time spent up to now is 20.3 secs Computing kpt #: 296 total cpu time spent up to now is 20.4 secs Computing kpt #: 297 total cpu time spent up to now is 20.5 secs Computing kpt #: 298 total cpu time spent up to now is 20.5 secs Computing kpt #: 299 total cpu time spent up to now is 20.6 secs Computing kpt #: 300 total cpu time spent up to now is 20.6 secs Computing kpt #: 301 total cpu time spent up to now is 20.7 secs Computing kpt #: 302 total cpu time spent up to now is 20.7 secs Computing kpt #: 303 total cpu time spent up to now is 20.8 secs Computing kpt #: 304 total cpu time spent up to now is 20.8 secs Computing kpt #: 305 total cpu time spent up to now is 20.9 secs Computing kpt #: 306 total cpu time spent up to now is 20.9 secs Computing kpt #: 307 total cpu time spent up to now is 21.0 secs Computing kpt #: 308 total cpu time spent up to now is 21.0 secs Computing kpt #: 309 total cpu time spent up to now is 21.1 secs Computing kpt #: 310 total cpu time spent up to now is 21.2 secs Computing kpt #: 311 total cpu time spent up to now is 21.2 secs Computing kpt #: 312 total cpu time spent up to now is 21.3 secs Computing kpt #: 313 total cpu time spent up to now is 21.3 secs Computing kpt #: 314 total cpu time spent up to now is 21.4 secs Computing kpt #: 315 total cpu time spent up to now is 21.4 secs Computing kpt #: 316 total cpu time spent up to now is 21.5 secs Computing kpt #: 317 total cpu time spent up to now is 21.6 secs Computing kpt #: 318 total cpu time spent up to now is 21.6 secs Computing kpt #: 319 total cpu time spent up to now is 21.7 secs Computing kpt #: 320 total cpu time spent up to now is 21.7 secs Computing kpt #: 321 total cpu time spent up to now is 21.8 secs Computing kpt #: 322 total cpu time spent up to now is 21.9 secs Computing kpt #: 323 total cpu time spent up to now is 21.9 secs Computing kpt #: 324 total cpu time spent up to now is 22.0 secs Computing kpt #: 325 total cpu time spent up to now is 22.0 secs Computing kpt #: 326 total cpu time spent up to now is 22.1 secs Computing kpt #: 327 total cpu time spent up to now is 22.2 secs Computing kpt #: 328 total cpu time spent up to now is 22.2 secs Computing kpt #: 329 total cpu time spent up to now is 22.3 secs Computing kpt #: 330 total cpu time spent up to now is 22.3 secs Computing kpt #: 331 total cpu time spent up to now is 22.4 secs Computing kpt #: 332 total cpu time spent up to now is 22.5 secs Computing kpt #: 333 total cpu time spent up to now is 22.5 secs Computing kpt #: 334 total cpu time spent up to now is 22.6 secs Computing kpt #: 335 total cpu time spent up to now is 22.6 secs Computing kpt #: 336 total cpu time spent up to now is 22.7 secs Computing kpt #: 337 total cpu time spent up to now is 22.8 secs Computing kpt #: 338 total cpu time spent up to now is 22.8 secs Computing kpt #: 339 total cpu time spent up to now is 22.9 secs Computing kpt #: 340 total cpu time spent up to now is 23.0 secs Computing kpt #: 341 total cpu time spent up to now is 23.0 secs Computing kpt #: 342 total cpu time spent up to now is 23.3 secs Computing kpt #: 343 total cpu time spent up to now is 23.4 secs Computing kpt #: 344 total cpu time spent up to now is 23.4 secs Computing kpt #: 345 total cpu time spent up to now is 23.5 secs Computing kpt #: 346 total cpu time spent up to now is 23.6 secs Computing kpt #: 347 total cpu time spent up to now is 23.6 secs Computing kpt #: 348 total cpu time spent up to now is 23.7 secs Computing kpt #: 349 total cpu time spent up to now is 23.8 secs Computing kpt #: 350 total cpu time spent up to now is 23.8 secs Computing kpt #: 351 total cpu time spent up to now is 23.9 secs Computing kpt #: 352 total cpu time spent up to now is 23.9 secs Computing kpt #: 353 total cpu time spent up to now is 24.0 secs Computing kpt #: 354 total cpu time spent up to now is 24.1 secs Computing kpt #: 355 total cpu time spent up to now is 24.1 secs Computing kpt #: 356 total cpu time spent up to now is 24.2 secs Computing kpt #: 357 total cpu time spent up to now is 24.3 secs Computing kpt #: 358 total cpu time spent up to now is 24.3 secs Computing kpt #: 359 total cpu time spent up to now is 24.4 secs Computing kpt #: 360 total cpu time spent up to now is 24.5 secs Computing kpt #: 361 total cpu time spent up to now is 24.5 secs Computing kpt #: 362 total cpu time spent up to now is 24.6 secs Computing kpt #: 363 total cpu time spent up to now is 24.7 secs Computing kpt #: 364 total cpu time spent up to now is 24.7 secs Computing kpt #: 365 total cpu time spent up to now is 24.8 secs Computing kpt #: 366 total cpu time spent up to now is 24.9 secs Computing kpt #: 367 total cpu time spent up to now is 24.9 secs Computing kpt #: 368 total cpu time spent up to now is 25.0 secs Computing kpt #: 369 total cpu time spent up to now is 25.1 secs Computing kpt #: 370 total cpu time spent up to now is 25.2 secs Computing kpt #: 371 total cpu time spent up to now is 25.2 secs Computing kpt #: 372 total cpu time spent up to now is 25.3 secs Computing kpt #: 373 total cpu time spent up to now is 25.4 secs Computing kpt #: 374 total cpu time spent up to now is 25.4 secs Computing kpt #: 375 total cpu time spent up to now is 25.5 secs Computing kpt #: 376 total cpu time spent up to now is 25.6 secs Computing kpt #: 377 total cpu time spent up to now is 25.6 secs Computing kpt #: 378 total cpu time spent up to now is 25.7 secs Computing kpt #: 379 total cpu time spent up to now is 25.8 secs Computing kpt #: 380 total cpu time spent up to now is 25.9 secs Computing kpt #: 381 total cpu time spent up to now is 25.9 secs Computing kpt #: 382 total cpu time spent up to now is 26.0 secs Computing kpt #: 383 total cpu time spent up to now is 26.1 secs Computing kpt #: 384 total cpu time spent up to now is 26.2 secs Computing kpt #: 385 total cpu time spent up to now is 26.2 secs Computing kpt #: 386 total cpu time spent up to now is 26.3 secs Computing kpt #: 387 total cpu time spent up to now is 26.4 secs Computing kpt #: 388 total cpu time spent up to now is 26.5 secs Computing kpt #: 389 total cpu time spent up to now is 26.5 secs Computing kpt #: 390 total cpu time spent up to now is 26.6 secs Computing kpt #: 391 total cpu time spent up to now is 26.7 secs Computing kpt #: 392 total cpu time spent up to now is 26.8 secs Computing kpt #: 393 total cpu time spent up to now is 26.8 secs Computing kpt #: 394 total cpu time spent up to now is 26.9 secs Computing kpt #: 395 total cpu time spent up to now is 27.0 secs Computing kpt #: 396 total cpu time spent up to now is 27.0 secs Computing kpt #: 397 total cpu time spent up to now is 27.1 secs Computing kpt #: 398 total cpu time spent up to now is 27.2 secs Computing kpt #: 399 total cpu time spent up to now is 27.2 secs Computing kpt #: 400 total cpu time spent up to now is 27.3 secs Computing kpt #: 401 total cpu time spent up to now is 27.3 secs Computing kpt #: 402 total cpu time spent up to now is 27.4 secs Computing kpt #: 403 total cpu time spent up to now is 27.4 secs Computing kpt #: 404 total cpu time spent up to now is 27.5 secs Computing kpt #: 405 total cpu time spent up to now is 27.5 secs Computing kpt #: 406 total cpu time spent up to now is 27.6 secs Computing kpt #: 407 total cpu time spent up to now is 27.7 secs Computing kpt #: 408 total cpu time spent up to now is 27.7 secs Computing kpt #: 409 total cpu time spent up to now is 27.8 secs Computing kpt #: 410 total cpu time spent up to now is 27.8 secs Computing kpt #: 411 total cpu time spent up to now is 27.9 secs Computing kpt #: 412 total cpu time spent up to now is 27.9 secs Computing kpt #: 413 total cpu time spent up to now is 28.0 secs Computing kpt #: 414 total cpu time spent up to now is 28.1 secs Computing kpt #: 415 total cpu time spent up to now is 28.1 secs Computing kpt #: 416 total cpu time spent up to now is 28.2 secs Computing kpt #: 417 total cpu time spent up to now is 28.2 secs Computing kpt #: 418 total cpu time spent up to now is 28.3 secs Computing kpt #: 419 total cpu time spent up to now is 28.3 secs Computing kpt #: 420 total cpu time spent up to now is 28.4 secs Computing kpt #: 421 total cpu time spent up to now is 28.4 secs Computing kpt #: 422 total cpu time spent up to now is 28.5 secs Computing kpt #: 423 total cpu time spent up to now is 28.6 secs Computing kpt #: 424 total cpu time spent up to now is 28.6 secs Computing kpt #: 425 total cpu time spent up to now is 28.7 secs Computing kpt #: 426 total cpu time spent up to now is 28.7 secs Computing kpt #: 427 total cpu time spent up to now is 28.8 secs Computing kpt #: 428 total cpu time spent up to now is 28.8 secs Computing kpt #: 429 total cpu time spent up to now is 28.9 secs Computing kpt #: 430 total cpu time spent up to now is 28.9 secs Computing kpt #: 431 total cpu time spent up to now is 29.0 secs Computing kpt #: 432 total cpu time spent up to now is 29.0 secs Computing kpt #: 433 total cpu time spent up to now is 29.1 secs Computing kpt #: 434 total cpu time spent up to now is 29.2 secs Computing kpt #: 435 total cpu time spent up to now is 29.2 secs Computing kpt #: 436 total cpu time spent up to now is 29.3 secs Computing kpt #: 437 total cpu time spent up to now is 29.3 secs Computing kpt #: 438 total cpu time spent up to now is 29.4 secs Computing kpt #: 439 total cpu time spent up to now is 29.4 secs Computing kpt #: 440 total cpu time spent up to now is 29.5 secs Computing kpt #: 441 total cpu time spent up to now is 29.5 secs Computing kpt #: 442 total cpu time spent up to now is 29.6 secs Computing kpt #: 443 total cpu time spent up to now is 29.6 secs Computing kpt #: 444 total cpu time spent up to now is 29.7 secs Computing kpt #: 445 total cpu time spent up to now is 29.7 secs Computing kpt #: 446 total cpu time spent up to now is 29.8 secs Computing kpt #: 447 total cpu time spent up to now is 29.9 secs Computing kpt #: 448 total cpu time spent up to now is 29.9 secs Computing kpt #: 449 total cpu time spent up to now is 30.0 secs Computing kpt #: 450 total cpu time spent up to now is 30.0 secs Computing kpt #: 451 total cpu time spent up to now is 30.1 secs Computing kpt #: 452 total cpu time spent up to now is 30.1 secs Computing kpt #: 453 total cpu time spent up to now is 30.2 secs Computing kpt #: 454 total cpu time spent up to now is 30.2 secs Computing kpt #: 455 total cpu time spent up to now is 30.3 secs Computing kpt #: 456 total cpu time spent up to now is 30.4 secs Computing kpt #: 457 total cpu time spent up to now is 30.4 secs Computing kpt #: 458 total cpu time spent up to now is 30.5 secs Computing kpt #: 459 total cpu time spent up to now is 30.5 secs Computing kpt #: 460 total cpu time spent up to now is 30.6 secs Computing kpt #: 461 total cpu time spent up to now is 30.6 secs Computing kpt #: 462 total cpu time spent up to now is 30.7 secs Computing kpt #: 463 total cpu time spent up to now is 30.7 secs Computing kpt #: 464 total cpu time spent up to now is 30.8 secs Computing kpt #: 465 total cpu time spent up to now is 30.8 secs Computing kpt #: 466 total cpu time spent up to now is 30.9 secs Computing kpt #: 467 total cpu time spent up to now is 30.9 secs Computing kpt #: 468 total cpu time spent up to now is 31.0 secs Computing kpt #: 469 total cpu time spent up to now is 31.1 secs Computing kpt #: 470 total cpu time spent up to now is 31.1 secs Computing kpt #: 471 total cpu time spent up to now is 31.2 secs Computing kpt #: 472 total cpu time spent up to now is 31.2 secs Computing kpt #: 473 total cpu time spent up to now is 31.3 secs Computing kpt #: 474 total cpu time spent up to now is 31.3 secs Computing kpt #: 475 total cpu time spent up to now is 31.4 secs Computing kpt #: 476 total cpu time spent up to now is 31.5 secs Computing kpt #: 477 total cpu time spent up to now is 31.5 secs Computing kpt #: 478 total cpu time spent up to now is 31.6 secs Computing kpt #: 479 total cpu time spent up to now is 31.6 secs Computing kpt #: 480 total cpu time spent up to now is 31.7 secs Computing kpt #: 481 total cpu time spent up to now is 31.8 secs Computing kpt #: 482 total cpu time spent up to now is 31.8 secs Computing kpt #: 483 total cpu time spent up to now is 31.9 secs Computing kpt #: 484 total cpu time spent up to now is 32.0 secs Computing kpt #: 485 total cpu time spent up to now is 32.0 secs Computing kpt #: 486 total cpu time spent up to now is 32.1 secs Computing kpt #: 487 total cpu time spent up to now is 32.2 secs Computing kpt #: 488 total cpu time spent up to now is 32.2 secs Computing kpt #: 489 total cpu time spent up to now is 32.3 secs Computing kpt #: 490 total cpu time spent up to now is 32.4 secs Computing kpt #: 491 total cpu time spent up to now is 32.4 secs Computing kpt #: 492 total cpu time spent up to now is 32.5 secs Computing kpt #: 493 total cpu time spent up to now is 32.5 secs Computing kpt #: 494 total cpu time spent up to now is 32.6 secs Computing kpt #: 495 total cpu time spent up to now is 32.7 secs Computing kpt #: 496 total cpu time spent up to now is 32.7 secs Computing kpt #: 497 total cpu time spent up to now is 32.8 secs Computing kpt #: 498 total cpu time spent up to now is 32.9 secs Computing kpt #: 499 total cpu time spent up to now is 33.0 secs Computing kpt #: 500 total cpu time spent up to now is 33.0 secs Computing kpt #: 501 total cpu time spent up to now is 33.1 secs Computing kpt #: 502 total cpu time spent up to now is 33.2 secs Computing kpt #: 503 total cpu time spent up to now is 33.2 secs Computing kpt #: 504 total cpu time spent up to now is 33.3 secs Computing kpt #: 505 total cpu time spent up to now is 33.3 secs Computing kpt #: 506 total cpu time spent up to now is 33.4 secs Computing kpt #: 507 total cpu time spent up to now is 33.5 secs Computing kpt #: 508 total cpu time spent up to now is 33.5 secs Computing kpt #: 509 total cpu time spent up to now is 33.6 secs Computing kpt #: 510 total cpu time spent up to now is 33.7 secs Computing kpt #: 511 total cpu time spent up to now is 33.7 secs Computing kpt #: 512 total cpu time spent up to now is 33.8 secs Computing kpt #: 513 total cpu time spent up to now is 33.9 secs Computing kpt #: 514 total cpu time spent up to now is 33.9 secs Computing kpt #: 515 total cpu time spent up to now is 34.0 secs Computing kpt #: 516 total cpu time spent up to now is 34.0 secs Computing kpt #: 517 total cpu time spent up to now is 34.1 secs Computing kpt #: 518 total cpu time spent up to now is 34.1 secs Computing kpt #: 519 total cpu time spent up to now is 34.2 secs Computing kpt #: 520 total cpu time spent up to now is 34.3 secs Computing kpt #: 521 total cpu time spent up to now is 34.4 secs Computing kpt #: 522 total cpu time spent up to now is 34.5 secs Computing kpt #: 523 total cpu time spent up to now is 34.6 secs Computing kpt #: 524 total cpu time spent up to now is 34.7 secs Computing kpt #: 525 total cpu time spent up to now is 34.8 secs Computing kpt #: 526 total cpu time spent up to now is 34.9 secs Computing kpt #: 527 total cpu time spent up to now is 35.0 secs Computing kpt #: 528 total cpu time spent up to now is 35.1 secs Computing kpt #: 529 total cpu time spent up to now is 35.1 secs Computing kpt #: 530 total cpu time spent up to now is 35.2 secs Computing kpt #: 531 total cpu time spent up to now is 35.3 secs Computing kpt #: 532 total cpu time spent up to now is 35.4 secs Computing kpt #: 533 total cpu time spent up to now is 35.5 secs Computing kpt #: 534 total cpu time spent up to now is 35.6 secs Computing kpt #: 535 total cpu time spent up to now is 35.7 secs Computing kpt #: 536 total cpu time spent up to now is 35.8 secs Computing kpt #: 537 total cpu time spent up to now is 35.9 secs Computing kpt #: 538 total cpu time spent up to now is 36.0 secs Computing kpt #: 539 total cpu time spent up to now is 36.1 secs Computing kpt #: 540 total cpu time spent up to now is 36.2 secs Computing kpt #: 541 total cpu time spent up to now is 36.3 secs Computing kpt #: 542 total cpu time spent up to now is 36.4 secs Computing kpt #: 543 total cpu time spent up to now is 36.5 secs Computing kpt #: 544 total cpu time spent up to now is 36.6 secs Computing kpt #: 545 total cpu time spent up to now is 36.7 secs Computing kpt #: 546 total cpu time spent up to now is 36.8 secs Computing kpt #: 547 total cpu time spent up to now is 36.9 secs Computing kpt #: 548 total cpu time spent up to now is 37.0 secs Computing kpt #: 549 total cpu time spent up to now is 37.1 secs Computing kpt #: 550 total cpu time spent up to now is 37.1 secs Computing kpt #: 551 total cpu time spent up to now is 37.2 secs Computing kpt #: 552 total cpu time spent up to now is 37.3 secs Computing kpt #: 553 total cpu time spent up to now is 37.4 secs Computing kpt #: 554 total cpu time spent up to now is 37.5 secs Computing kpt #: 555 total cpu time spent up to now is 37.6 secs Computing kpt #: 556 total cpu time spent up to now is 37.7 secs Computing kpt #: 557 total cpu time spent up to now is 37.7 secs Computing kpt #: 558 total cpu time spent up to now is 37.8 secs Computing kpt #: 559 total cpu time spent up to now is 37.9 secs Computing kpt #: 560 total cpu time spent up to now is 38.0 secs Computing kpt #: 561 total cpu time spent up to now is 38.0 secs ethr = 6.25E-08, avg # of iterations = 10.8 total cpu time spent up to now is 38.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 639 PWs) bands (ev): 7.8045 7.8045 11.7919 11.7919 15.5046 15.5046 15.5073 15.5073 15.6232 15.6232 16.0127 16.0127 16.1387 16.1387 16.6440 16.6440 16.7084 16.7084 17.6556 17.6556 18.3366 18.3366 18.4097 18.4097 k = 0.0064 0.0037-0.0000 ( 637 PWs) bands (ev): 7.8062 7.8062 11.7932 11.7932 15.4875 15.4875 15.5225 15.5225 15.6259 15.6259 16.0129 16.0129 16.1389 16.1389 16.6431 16.6431 16.7075 16.7075 17.6347 17.6347 18.3471 18.3471 18.4225 18.4225 k = 0.0128 0.0074-0.0000 ( 633 PWs) bands (ev): 7.8114 7.8114 11.7970 11.7970 15.4674 15.4674 15.5374 15.5374 15.6338 15.6338 16.0133 16.0133 16.1395 16.1395 16.6404 16.6404 16.7047 16.7047 17.5787 17.5787 18.3621 18.3621 18.4702 18.4702 k = 0.0192 0.0111-0.0000 ( 641 PWs) bands (ev): 7.8199 7.8199 11.8028 11.8028 15.4456 15.4456 15.5506 15.5506 15.6453 15.6453 16.0137 16.0137 16.1406 16.1406 16.6356 16.6356 16.6997 16.6997 17.5001 17.5001 18.3700 18.3700 18.5514 18.5514 k = 0.0256 0.0148-0.0000 ( 641 PWs) bands (ev): 7.8319 7.8319 11.8113 11.8113 15.4225 15.4225 15.5634 15.5634 15.6601 15.6601 16.0140 16.0140 16.1426 16.1426 16.6288 16.6288 16.6928 16.6928 17.4096 17.4096 18.3750 18.3750 18.6531 18.6531 k = 0.0321 0.0185-0.0000 ( 641 PWs) bands (ev): 7.8473 7.8473 11.8222 11.8222 15.3983 15.3983 15.5765 15.5765 15.6772 15.6772 16.0137 16.0137 16.1457 16.1457 16.6196 16.6196 16.6837 16.6837 17.3137 17.3137 18.3793 18.3793 18.7665 18.7665 k = 0.0385 0.0222-0.0000 ( 641 PWs) bands (ev): 7.8661 7.8661 11.8354 11.8354 15.3729 15.3729 15.5904 15.5904 15.6957 15.6957 16.0126 16.0126 16.1505 16.1505 16.6071 16.6071 16.6723 16.6723 17.2167 17.2167 18.3836 18.3836 18.8873 18.8873 k = 0.0449 0.0259-0.0000 ( 641 PWs) bands (ev): 7.8883 7.8883 11.8509 11.8509 15.3466 15.3466 15.6056 15.6056 15.7153 15.7153 16.0102 16.0102 16.1573 16.1573 16.5902 16.5902 16.6586 16.6586 17.1219 17.1219 18.3883 18.3883 19.0132 19.0132 k = 0.0513 0.0296-0.0000 ( 641 PWs) bands (ev): 7.9138 7.9138 11.8687 11.8687 15.3192 15.3192 15.6224 15.6224 15.7356 15.7356 16.0065 16.0065 16.1663 16.1663 16.5663 16.5663 16.6430 16.6430 17.0326 17.0326 18.3934 18.3934 19.1429 19.1429 k = 0.0577 0.0333-0.0000 ( 645 PWs) bands (ev): 7.9427 7.9427 11.8887 11.8887 15.2908 15.2908 15.6407 15.6407 15.7562 15.7562 16.0013 16.0013 16.1776 16.1776 16.5318 16.5318 16.6261 16.6261 16.9521 16.9521 18.3989 18.3989 19.2756 19.2756 k = 0.0641 0.0370-0.0000 ( 645 PWs) bands (ev): 7.9749 7.9749 11.9109 11.9109 15.2615 15.2615 15.6608 15.6608 15.7772 15.7772 15.9950 15.9950 16.1913 16.1913 16.4841 16.4841 16.6089 16.6089 16.8836 16.8836 18.4049 18.4049 19.4108 19.4108 k = 0.0705 0.0407-0.0000 ( 645 PWs) bands (ev): 8.0104 8.0104 11.9352 11.9352 15.2314 15.2314 15.6826 15.6826 15.7981 15.7981 15.9878 15.9878 16.2074 16.2074 16.4217 16.4217 16.5917 16.5917 16.8284 16.8284 18.4113 18.4113 19.5482 19.5482 k = 0.0769 0.0444-0.0000 ( 641 PWs) bands (ev): 8.0492 8.0492 11.9620 11.9620 15.2004 15.2004 15.7061 15.7061 15.8183 15.8183 15.9805 15.9805 16.2254 16.2254 16.3468 16.3468 16.5744 16.5744 16.7850 16.7850 18.4182 18.4182 19.6877 19.6877 k = 0.0833 0.0481-0.0000 ( 649 PWs) bands (ev): 8.0912 8.0912 11.9902 11.9902 15.1686 15.1686 15.7309 15.7309 15.8368 15.8368 15.9738 15.9738 16.2426 16.2426 16.2656 16.2656 16.5565 16.5565 16.7504 16.7504 18.4247 18.4247 19.8286 19.8286 k = 0.0897 0.0518-0.0000 ( 649 PWs) bands (ev): 8.1364 8.1364 12.0203 12.0203 15.1360 15.1360 15.7572 15.7572 15.8523 15.8523 15.9694 15.9694 16.1715 16.1715 16.2696 16.2696 16.5384 16.5384 16.7218 16.7218 18.4322 18.4322 19.9711 19.9711 k = 0.0962 0.0555-0.0000 ( 649 PWs) bands (ev): 8.1847 8.1847 12.0522 12.0522 15.1028 15.1028 15.7841 15.7841 15.8628 15.8628 15.9672 15.9672 16.0824 16.0824 16.2934 16.2934 16.5199 16.5199 16.6969 16.6969 18.4400 18.4400 20.1151 20.1151 k = 0.1026 0.0592-0.0000 ( 645 PWs) bands (ev): 8.2362 8.2362 12.0857 12.0857 15.0688 15.0688 15.8091 15.8091 15.8683 15.8683 15.9469 15.9469 16.0178 16.0178 16.3194 16.3194 16.5010 16.5010 16.6746 16.6746 18.4480 18.4480 20.2605 20.2605 k = 0.1090 0.0629-0.0000 ( 645 PWs) bands (ev): 8.2907 8.2907 12.1207 12.1207 15.0344 15.0344 15.8230 15.8230 15.8600 15.8600 15.8890 15.8890 16.0164 16.0164 16.3464 16.3464 16.4818 16.4818 16.6535 16.6535 18.4563 18.4563 20.4071 20.4071 k = 0.1154 0.0666-0.0000 ( 643 PWs) bands (ev): 8.3482 8.3482 12.1571 12.1571 14.9996 14.9996 15.7664 15.7664 15.8288 15.8288 15.9057 15.9057 16.0355 16.0355 16.3738 16.3738 16.4633 16.4633 16.6333 16.6333 18.4647 18.4647 20.5550 20.5550 k = 0.1218 0.0703-0.0000 ( 643 PWs) bands (ev): 8.4087 8.4087 12.1947 12.1947 14.9643 14.9643 15.6713 15.6713 15.8173 15.8173 15.9373 15.9373 16.0604 16.0604 16.3973 16.3973 16.4494 16.4494 16.6138 16.6138 18.4733 18.4733 20.7040 20.7040 k = 0.1282 0.0740-0.0000 ( 643 PWs) bands (ev): 8.4722 8.4722 12.2334 12.2334 14.9286 14.9286 15.5747 15.5747 15.8024 15.8024 15.9734 15.9734 16.0883 16.0883 16.4012 16.4012 16.4555 16.4555 16.5952 16.5952 18.4820 18.4820 20.8542 20.8542 k = 0.1346 0.0777-0.0000 ( 643 PWs) bands (ev): 8.5384 8.5384 12.2729 12.2729 14.8929 14.8929 15.4781 15.4781 15.7855 15.7855 16.0121 16.0121 16.1184 16.1184 16.3858 16.3858 16.4804 16.4804 16.5785 16.5785 18.4908 18.4908 21.0054 21.0054 k = 0.1410 0.0814-0.0000 ( 643 PWs) bands (ev): 8.6074 8.6074 12.3132 12.3132 14.8571 14.8571 15.3823 15.3823 15.7673 15.7673 16.0527 16.0527 16.1499 16.1499 16.3657 16.3657 16.5046 16.5046 16.5686 16.5686 18.4996 18.4996 21.1578 21.1578 k = 0.1474 0.0851-0.0000 ( 642 PWs) bands (ev): 8.6791 8.6791 12.3539 12.3539 14.8216 14.8216 15.2873 15.2873 15.7484 15.7484 16.0950 16.0950 16.1825 16.1825 16.3448 16.3448 16.5108 16.5108 16.5793 16.5793 18.5084 18.5084 21.3111 21.3111 k = 0.1538 0.0888-0.0000 ( 642 PWs) bands (ev): 8.7535 8.7535 12.3949 12.3949 14.7863 14.7863 15.1935 15.1935 15.7290 15.7290 16.1383 16.1383 16.2146 16.2146 16.3252 16.3252 16.4993 16.4993 16.6097 16.6097 18.5173 18.5173 21.4654 21.4654 k = 0.1603 0.0925-0.0000 ( 642 PWs) bands (ev): 8.8304 8.8304 12.4359 12.4359 14.7514 14.7514 15.1008 15.1008 15.7095 15.7095 16.1815 16.1815 16.2425 16.2425 16.3116 16.3116 16.4829 16.4829 16.6470 16.6470 18.5260 18.5260 21.6207 21.6207 k = 0.1667 0.0962-0.0000 ( 642 PWs) bands (ev): 8.9097 8.9097 12.4766 12.4766 14.7171 14.7171 15.0094 15.0094 15.6899 15.6899 16.2173 16.2173 16.2600 16.2600 16.3169 16.3169 16.4662 16.4662 16.6874 16.6874 18.5348 18.5348 21.7769 21.7769 k = 0.1731 0.0999-0.0000 ( 640 PWs) bands (ev): 8.9914 8.9914 12.5168 12.5168 14.6838 14.6838 14.9196 14.9196 15.6707 15.6707 16.2198 16.2198 16.2910 16.2910 16.3407 16.3407 16.4526 16.4526 16.7297 16.7297 18.5434 18.5434 21.9341 21.9341 k = 0.1795 0.1036-0.0000 ( 642 PWs) bands (ev): 9.0754 9.0754 12.5562 12.5562 14.6514 14.6514 14.8308 14.8308 15.6517 15.6517 16.2018 16.2018 16.3352 16.3352 16.3631 16.3631 16.4494 16.4494 16.7736 16.7736 18.5520 18.5520 22.0920 22.0920 k = 0.1859 0.1073-0.0000 ( 642 PWs) bands (ev): 9.1615 9.1615 12.5945 12.5945 14.6202 14.6202 14.7436 14.7436 15.6334 15.6334 16.1791 16.1791 16.3593 16.3593 16.3911 16.3911 16.4677 16.4677 16.8188 16.8188 18.5605 18.5605 22.2508 22.2508 k = 0.1923 0.1110-0.0000 ( 642 PWs) bands (ev): 9.2496 9.2496 12.6312 12.6312 14.5903 14.5903 14.6581 14.6581 15.6160 15.6160 16.1549 16.1549 16.3492 16.3492 16.4401 16.4401 16.5033 16.5033 16.8651 16.8651 18.5688 18.5688 22.4105 22.4105 k = 0.1987 0.1147-0.0000 ( 642 PWs) bands (ev): 9.3397 9.3397 12.6662 12.6662 14.5596 14.5596 14.5765 14.5765 15.5995 15.5995 16.1299 16.1299 16.3314 16.3314 16.4919 16.4919 16.5469 16.5469 16.9126 16.9126 18.5770 18.5770 22.5709 22.5709 k = 0.2051 0.1184-0.0000 ( 644 PWs) bands (ev): 9.4315 9.4315 12.6989 12.6989 14.4894 14.4894 14.5379 14.5379 15.5840 15.5840 16.1045 16.1045 16.3108 16.3108 16.5448 16.5448 16.5948 16.5948 16.9610 16.9610 18.5850 18.5850 22.7321 22.7321 k = 0.2115 0.1221-0.0000 ( 644 PWs) bands (ev): 9.5249 9.5249 12.7293 12.7293 14.4086 14.4086 14.5135 14.5135 15.5700 15.5700 16.0788 16.0788 16.2892 16.2892 16.5987 16.5987 16.6457 16.6457 17.0104 17.0104 18.5928 18.5928 22.8941 22.8941 k = 0.2179 0.1258-0.0000 ( 644 PWs) bands (ev): 9.6199 9.6199 12.7570 12.7570 14.3291 14.3291 14.4917 14.4917 15.5575 15.5575 16.0528 16.0528 16.2670 16.2670 16.6535 16.6535 16.6991 16.6991 17.0610 17.0610 18.6004 18.6004 23.0568 23.0568 k = 0.2244 0.1295-0.0000 ( 640 PWs) bands (ev): 9.7161 9.7161 12.7814 12.7814 14.2513 14.2513 14.4726 14.4726 15.5469 15.5469 16.0270 16.0270 16.2445 16.2445 16.7095 16.7095 16.7547 16.7547 17.1121 17.1121 18.6079 18.6079 23.2202 23.2202 k = 0.2308 0.1332-0.0000 ( 640 PWs) bands (ev): 9.8135 9.8135 12.8025 12.8025 14.1748 14.1748 14.4561 14.4561 15.5379 15.5379 16.0014 16.0014 16.2216 16.2216 16.7665 16.7665 16.8118 16.8118 17.1637 17.1637 18.6152 18.6152 23.3842 23.3842 k = 0.2372 0.1369-0.0000 ( 642 PWs) bands (ev): 9.9119 9.9119 12.8201 12.8201 14.1000 14.1000 14.4422 14.4422 15.5310 15.5310 15.9758 15.9758 16.1985 16.1985 16.8247 16.8247 16.8702 16.8702 17.2159 17.2159 18.6223 18.6223 23.5490 23.5490 k = 0.2436 0.1406-0.0000 ( 642 PWs) bands (ev): 10.0111 10.0111 12.8339 12.8339 14.0268 14.0268 14.4313 14.4313 15.5262 15.5262 15.9505 15.9505 16.1754 16.1754 16.8845 16.8845 16.9299 16.9299 17.2687 17.2687 18.6292 18.6292 23.7143 23.7143 k = 0.2500 0.1443-0.0000 ( 642 PWs) bands (ev): 10.1108 10.1108 12.8441 12.8441 13.9552 13.9552 14.4232 14.4232 15.5236 15.5236 15.9253 15.9253 16.1523 16.1523 16.9458 16.9458 16.9907 16.9907 17.3220 17.3220 18.6359 18.6359 23.8802 23.8802 k = 0.2564 0.1480-0.0000 ( 642 PWs) bands (ev): 10.2108 10.2108 12.8504 12.8504 13.8853 13.8853 14.4179 14.4179 15.5235 15.5235 15.9005 15.9005 16.1293 16.1293 17.0086 17.0086 17.0524 17.0524 17.3757 17.3757 18.6424 18.6424 24.0467 24.0467 k = 0.2628 0.1517-0.0000 ( 642 PWs) bands (ev): 10.3110 10.3110 12.8530 12.8530 13.8171 13.8171 14.4153 14.4153 15.5257 15.5257 15.8761 15.8761 16.1063 16.1063 17.0730 17.0730 17.1150 17.1150 17.4297 17.4297 18.6487 18.6487 24.2138 24.2138 k = 0.2692 0.1554-0.0000 ( 642 PWs) bands (ev): 10.4110 10.4110 12.8521 12.8521 13.7506 13.7506 14.4153 14.4153 15.5302 15.5302 15.8521 15.8521 16.0834 16.0834 17.1387 17.1387 17.1786 17.1786 17.4839 17.4839 18.6547 18.6547 24.3813 24.3813 k = 0.2756 0.1591-0.0000 ( 646 PWs) bands (ev): 10.5106 10.5106 12.8479 12.8479 13.6857 13.6857 14.4177 14.4177 15.5372 15.5372 15.8287 15.8287 16.0608 16.0608 17.2052 17.2052 17.2434 17.2434 17.5379 17.5379 18.6606 18.6606 24.5493 24.5493 k = 0.2821 0.1628-0.0000 ( 646 PWs) bands (ev): 10.6096 10.6096 12.8406 12.8406 13.6226 13.6226 14.4225 14.4225 15.5463 15.5463 15.8059 15.8059 16.0383 16.0383 17.2725 17.2725 17.3101 17.3101 17.5925 17.5925 18.6662 18.6662 24.7178 24.7178 k = 0.2885 0.1665-0.0000 ( 646 PWs) bands (ev): 10.7075 10.7075 12.8304 12.8304 13.5612 13.5612 14.4295 14.4295 15.5573 15.5573 15.7841 15.7841 16.0161 16.0161 17.3393 17.3393 17.3794 17.3794 17.6471 17.6471 18.6717 18.6717 24.8867 24.8867 k = 0.2949 0.1702-0.0000 ( 646 PWs) bands (ev): 10.8043 10.8043 12.8177 12.8177 13.5016 13.5016 14.4387 14.4387 15.5697 15.5697 15.7635 15.7635 15.9942 15.9942 17.4050 17.4050 17.4519 17.4519 17.7017 17.7017 18.6769 18.6769 25.0559 25.0559 k = 0.3013 0.1739-0.0000 ( 646 PWs) bands (ev): 10.8994 10.8994 12.8029 12.8029 13.4437 13.4437 14.4499 14.4499 15.5829 15.5829 15.7448 15.7448 15.9726 15.9726 17.4693 17.4693 17.5276 17.5276 17.7564 17.7564 18.6820 18.6820 25.2255 25.2255 k = 0.3077 0.1776-0.0000 ( 642 PWs) bands (ev): 10.9927 10.9927 12.7862 12.7862 13.3875 13.3875 14.4631 14.4631 15.5956 15.5956 15.7292 15.7292 15.9515 15.9515 17.5325 17.5325 17.6065 17.6065 17.8112 17.8112 18.6868 18.6868 25.3954 25.3954 k = 0.3141 0.1813-0.0000 ( 642 PWs) bands (ev): 11.0838 11.0838 12.7679 12.7679 13.3331 13.3331 14.4783 14.4783 15.6052 15.6052 15.7186 15.7186 15.9307 15.9307 17.5945 17.5945 17.6881 17.6881 17.8658 17.8658 18.6914 18.6914 25.5654 25.5654 k = 0.3205 0.1850-0.0000 ( 642 PWs) bands (ev): 11.1724 11.1724 12.7483 12.7483 13.2806 13.2806 14.4955 14.4955 15.6087 15.6087 15.7163 15.7163 15.9103 15.9103 17.6552 17.6552 17.7718 17.7718 17.9204 17.9204 18.6962 18.6962 25.7357 25.7357 k = 0.3269 0.1887-0.0000 ( 642 PWs) bands (ev): 11.2581 11.2581 12.7278 12.7278 13.2298 13.2298 14.5147 14.5147 15.6043 15.6043 15.7236 15.7236 15.8903 15.8903 17.7150 17.7150 17.8571 17.8571 17.9760 17.9760 18.7005 18.7005 25.9060 25.9060 k = 0.3333 0.1925-0.0000 ( 642 PWs) bands (ev): 11.3407 11.3407 12.7066 12.7066 13.1807 13.1807 14.5360 14.5360 15.5939 15.5939 15.7386 15.7386 15.8708 15.8708 17.7737 17.7737 17.9425 17.9425 18.0338 18.0338 18.7046 18.7046 26.0763 26.0763 k = 0.3397 0.1962-0.0000 ( 642 PWs) bands (ev): 11.4200 11.4200 12.6850 12.6850 13.1334 13.1334 14.5595 14.5595 15.5800 15.5800 15.7583 15.7583 15.8519 15.8519 17.8311 17.8311 18.0236 18.0236 18.0979 18.0979 18.7086 18.7086 26.2462 26.2462 k = 0.3462 0.1999-0.0000 ( 646 PWs) bands (ev): 11.4955 11.4955 12.6631 12.6631 13.0875 13.0875 14.5850 14.5850 15.5645 15.5645 15.7804 15.7804 15.8336 15.8336 17.8870 17.8870 18.0940 18.0940 18.1748 18.1748 18.7123 18.7123 26.4147 26.4147 k = 0.3526 0.2036-0.0000 ( 646 PWs) bands (ev): 11.5671 11.5671 12.6412 12.6412 13.0438 13.0438 14.6127 14.6127 15.5485 15.5485 15.8024 15.8024 15.8175 15.8175 17.9417 17.9417 18.1534 18.1534 18.2645 18.2645 18.7161 18.7161 26.5331 26.5331 k = 0.3590 0.2073-0.0000 ( 646 PWs) bands (ev): 11.6346 11.6346 12.6195 12.6195 13.0020 13.0020 14.6424 14.6424 15.5323 15.5323 15.7966 15.7966 15.8306 15.8306 17.9948 17.9948 18.2068 18.2068 18.3619 18.3619 18.7198 18.7198 26.4170 26.4170 k = 0.3654 0.2110-0.0000 ( 646 PWs) bands (ev): 11.6978 11.6978 12.5983 12.5983 12.9619 12.9619 14.6742 14.6742 15.5164 15.5164 15.7804 15.7804 15.8551 15.8551 18.0463 18.0463 18.2572 18.2572 18.4638 18.4638 18.7237 18.7237 26.2749 26.2749 k = 0.3718 0.2147-0.0000 ( 648 PWs) bands (ev): 11.7566 11.7566 12.5776 12.5776 12.9236 12.9236 14.7077 14.7077 15.5009 15.5009 15.7641 15.7641 15.8798 15.8798 18.0960 18.0960 18.3054 18.3054 18.5685 18.5685 18.7284 18.7284 26.1209 26.1209 k = 0.3782 0.2184-0.0000 ( 648 PWs) bands (ev): 11.8109 11.8109 12.5577 12.5577 12.8872 12.8872 14.7430 14.7430 15.4858 15.4858 15.7487 15.7487 15.9044 15.9044 18.1439 18.1439 18.3519 18.3519 18.6709 18.6709 18.7386 18.7386 25.9570 25.9570 k = 0.3846 0.2221-0.0000 ( 652 PWs) bands (ev): 11.8606 11.8606 12.5387 12.5387 12.8527 12.8527 14.7796 14.7796 15.4710 15.4710 15.7338 15.7338 15.9282 15.9282 18.1896 18.1896 18.3966 18.3966 18.7217 18.7217 18.8032 18.8032 25.7850 25.7850 k = 0.3910 0.2258-0.0000 ( 656 PWs) bands (ev): 11.9057 11.9057 12.5207 12.5207 12.8199 12.8199 14.8173 14.8173 15.4571 15.4571 15.7196 15.7196 15.9515 15.9515 18.2330 18.2330 18.4397 18.4397 18.7297 18.7297 18.9133 18.9133 25.6066 25.6066 k = 0.3974 0.2295-0.0000 ( 656 PWs) bands (ev): 11.9463 11.9463 12.5040 12.5040 12.7890 12.7890 14.8560 14.8560 15.4439 15.4439 15.7062 15.7062 15.9739 15.9739 18.2747 18.2747 18.4809 18.4809 18.7338 18.7338 19.0298 19.0298 25.4232 25.4232 k = 0.4038 0.2332-0.0000 ( 656 PWs) bands (ev): 11.9825 11.9825 12.4886 12.4886 12.7600 12.7600 14.8952 14.8952 15.4313 15.4313 15.6935 15.6935 15.9953 15.9953 18.3142 18.3142 18.5201 18.5201 18.7373 18.7373 19.1495 19.1495 25.2365 25.2365 k = 0.4103 0.2369-0.0000 ( 648 PWs) bands (ev): 12.0144 12.0144 12.4752 12.4752 12.7332 12.7332 14.9349 14.9349 15.4196 15.4196 15.6817 15.6817 16.0157 16.0157 18.3517 18.3517 18.5573 18.5573 18.7408 18.7408 19.2716 19.2716 25.0476 25.0476 k = 0.4167 0.2406-0.0000 ( 648 PWs) bands (ev): 12.0419 12.0419 12.4630 12.4630 12.7078 12.7078 14.9739 14.9739 15.4085 15.4085 15.6705 15.6705 16.0347 16.0347 18.3866 18.3866 18.5920 18.5920 18.7443 18.7443 19.3956 19.3956 24.8580 24.8580 k = 0.4231 0.2443-0.0000 ( 648 PWs) bands (ev): 12.0654 12.0654 12.4525 12.4525 12.6844 12.6844 15.0121 15.0121 15.3982 15.3982 15.6600 15.6600 16.0525 16.0525 18.4190 18.4190 18.6238 18.6238 18.7483 18.7483 19.5211 19.5211 24.6690 24.6690 k = 0.4295 0.2480-0.0000 ( 648 PWs) bands (ev): 12.0851 12.0851 12.4436 12.4436 12.6628 12.6628 15.0492 15.0492 15.3886 15.3886 15.6504 15.6504 16.0689 16.0689 18.4491 18.4491 18.6523 18.6523 18.7533 18.7533 19.6476 19.6476 24.4818 24.4818 k = 0.4359 0.2517-0.0000 ( 648 PWs) bands (ev): 12.1012 12.1012 12.4365 12.4365 12.6431 12.6431 15.0847 15.0847 15.3798 15.3798 15.6415 15.6415 16.0839 16.0839 18.4767 18.4767 18.6767 18.6767 18.7599 18.7599 19.7743 19.7743 24.2978 24.2978 k = 0.4423 0.2554-0.0000 ( 648 PWs) bands (ev): 12.1141 12.1141 12.4309 12.4309 12.6252 12.6252 15.1182 15.1182 15.3719 15.3719 15.6335 15.6335 16.0974 16.0974 18.5017 18.5017 18.6960 18.6960 18.7690 18.7690 19.9004 19.9004 24.1184 24.1184 k = 0.4487 0.2591-0.0000 ( 652 PWs) bands (ev): 12.1240 12.1240 12.4265 12.4265 12.6091 12.6091 15.1493 15.1493 15.3647 15.3647 15.6260 15.6260 16.1095 16.1095 18.5242 18.5242 18.7098 18.7098 18.7808 18.7808 20.0246 20.0246 23.9453 23.9453 k = 0.4551 0.2628-0.0000 ( 660 PWs) bands (ev): 12.1316 12.1316 12.4235 12.4235 12.5949 12.5949 15.1777 15.1777 15.3583 15.3583 15.6190 15.6190 16.1201 16.1201 18.5441 18.5441 18.7187 18.7187 18.7942 18.7942 20.1455 20.1455 23.7804 23.7804 k = 0.4615 0.2665-0.0000 ( 660 PWs) bands (ev): 12.1372 12.1372 12.4216 12.4216 12.5827 12.5827 15.2031 15.2031 15.3528 15.3528 15.6134 15.6134 16.1293 16.1293 18.5615 18.5615 18.7246 18.7246 18.8083 18.8083 20.2610 20.2610 23.6261 23.6261 k = 0.4679 0.2702-0.0000 ( 660 PWs) bands (ev): 12.1412 12.1412 12.4204 12.4204 12.5723 12.5723 15.2251 15.2251 15.3481 15.3481 15.6087 15.6087 16.1370 16.1370 18.5762 18.5762 18.7284 18.7284 18.8215 18.8215 20.3687 20.3687 23.4852 23.4852 k = 0.4744 0.2739-0.0000 ( 660 PWs) bands (ev): 12.1440 12.1440 12.4198 12.4198 12.5638 12.5638 15.2435 15.2435 15.3443 15.3443 15.6048 15.6048 16.1433 16.1433 18.5883 18.5883 18.7310 18.7310 18.8329 18.8329 20.4653 20.4653 23.3611 23.3611 k = 0.4808 0.2776-0.0000 ( 656 PWs) bands (ev): 12.1458 12.1458 12.4195 12.4195 12.5573 12.5573 15.2582 15.2582 15.3414 15.3414 15.6018 15.6018 16.1483 16.1483 18.5977 18.5977 18.7329 18.7329 18.8422 18.8422 20.5472 20.5472 23.2579 23.2579 k = 0.4872 0.2813-0.0000 ( 660 PWs) bands (ev): 12.1468 12.1468 12.4192 12.4192 12.5525 12.5525 15.2686 15.2686 15.3392 15.3392 15.5996 15.5996 16.1517 16.1517 18.6044 18.6044 18.7340 18.7340 18.8489 18.8489 20.6097 20.6097 23.1796 23.1796 k = 0.4936 0.2850-0.0000 ( 660 PWs) bands (ev): 12.1474 12.1474 12.4192 12.4192 12.5497 12.5497 15.2750 15.2750 15.3379 15.3379 15.5983 15.5983 16.1538 16.1538 18.6084 18.6084 18.7347 18.7347 18.8530 18.8530 20.6493 20.6493 23.1307 23.1307 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): 12.1475 12.1475 12.4192 12.4192 12.5488 12.5488 15.2771 15.2771 15.3375 15.3375 15.5979 15.5979 16.1545 16.1545 18.6098 18.6098 18.7349 18.7349 18.8544 18.8544 20.6629 20.6629 23.1140 23.1140 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): 12.1475 12.1475 12.4192 12.4192 12.5488 12.5488 15.2771 15.2771 15.3375 15.3375 15.5979 15.5979 16.1545 16.1545 18.6098 18.6098 18.7349 18.7349 18.8544 18.8544 20.6629 20.6629 23.1140 23.1140 k = 0.4963 0.2951-0.0000 ( 660 PWs) bands (ev): 12.1488 12.1488 12.4204 12.4204 12.5491 12.5491 15.2753 15.2753 15.3369 15.3369 15.5976 15.5976 16.1547 16.1547 18.6099 18.6099 18.7342 18.7342 18.8529 18.8529 20.6653 20.6653 23.1160 23.1160 k = 0.4926 0.3015-0.0000 ( 664 PWs) bands (ev): 12.1525 12.1525 12.4240 12.4240 12.5499 12.5499 15.2696 15.2696 15.3352 15.3352 15.5968 15.5968 16.1552 16.1552 18.6102 18.6102 18.7321 18.7321 18.8486 18.8486 20.6724 20.6724 23.1218 23.1219 k = 0.4889 0.3079-0.0000 ( 664 PWs) bands (ev): 12.1586 12.1586 12.4299 12.4299 12.5515 12.5515 15.2605 15.2605 15.3325 15.3325 15.5954 15.5954 16.1561 16.1561 18.6108 18.6108 18.7289 18.7289 18.8415 18.8415 20.6845 20.6845 23.1316 23.1316 k = 0.4852 0.3143-0.0000 ( 664 PWs) bands (ev): 12.1673 12.1673 12.4382 12.4382 12.5536 12.5536 15.2478 15.2478 15.3287 15.3287 15.5934 15.5934 16.1575 16.1575 18.6114 18.6114 18.7244 18.7244 18.8317 18.8317 20.7014 20.7014 23.1451 23.1451 k = 0.4815 0.3208-0.0000 ( 664 PWs) bands (ev): 12.1783 12.1783 12.4489 12.4489 12.5562 12.5562 15.2318 15.2318 15.3239 15.3239 15.5909 15.5909 16.1592 16.1592 18.6122 18.6122 18.7187 18.7187 18.8194 18.8194 20.7230 20.7230 23.1624 23.1624 k = 0.4778 0.3272-0.0000 ( 662 PWs) bands (ev): 12.1918 12.1918 12.4618 12.4618 12.5595 12.5595 15.2125 15.2125 15.3181 15.3181 15.5878 15.5878 16.1613 16.1613 18.6129 18.6129 18.7117 18.7117 18.8049 18.8049 20.7494 20.7494 23.1832 23.1832 k = 0.4741 0.3336-0.0000 ( 662 PWs) bands (ev): 12.2076 12.2076 12.4770 12.4770 12.5633 12.5633 15.1900 15.1900 15.3113 15.3113 15.5842 15.5842 16.1639 16.1639 18.6136 18.6136 18.7031 18.7031 18.7883 18.7883 20.7804 20.7804 23.2074 23.2074 k = 0.4704 0.3400-0.0000 ( 662 PWs) bands (ev): 12.2258 12.2258 12.4943 12.4943 12.5677 12.5677 15.1645 15.1645 15.3035 15.3035 15.5799 15.5799 16.1668 16.1668 18.6141 18.6141 18.6928 18.6928 18.7703 18.7703 20.8159 20.8159 23.2349 23.2349 k = 0.4667 0.3464-0.0000 ( 650 PWs) bands (ev): 12.2464 12.2464 12.5141 12.5141 12.5727 12.5727 15.1362 15.1362 15.2957 15.2957 15.5752 15.5752 16.1705 16.1705 18.6145 18.6145 18.6809 18.6809 18.7516 18.7516 20.8561 20.8561 23.2655 23.2655 k = 0.4630 0.3528-0.0000 ( 650 PWs) bands (ev): 12.2690 12.2690 12.5355 12.5355 12.5780 12.5780 15.1053 15.1053 15.2861 15.2861 15.5698 15.5698 16.1744 16.1744 18.6142 18.6142 18.6663 18.6663 18.7323 18.7323 20.9006 20.9006 23.2990 23.2990 k = 0.4593 0.3592-0.0000 ( 650 PWs) bands (ev): 12.2939 12.2939 12.5589 12.5589 12.5838 12.5838 15.0719 15.0719 15.2758 15.2758 15.5639 15.5639 16.1787 16.1787 18.6133 18.6133 18.6490 18.6490 18.7136 18.7136 20.9493 20.9493 23.3351 23.3351 k = 0.4556 0.3657-0.0000 ( 650 PWs) bands (ev): 12.3208 12.3208 12.5841 12.5841 12.5901 12.5901 15.0362 15.0362 15.2648 15.2648 15.5573 15.5573 16.1835 16.1835 18.6106 18.6106 18.6296 18.6296 18.6961 18.6961 21.0023 21.0023 23.3738 23.3738 k = 0.4519 0.3721-0.0000 ( 646 PWs) bands (ev): 12.3500 12.3500 12.5968 12.5968 12.6113 12.6113 14.9987 14.9987 15.2532 15.2532 15.5502 15.5502 16.1888 16.1888 18.5991 18.5991 18.6153 18.6153 18.6800 18.6800 21.0596 21.0596 23.4148 23.4148 k = 0.4481 0.3785-0.0000 ( 646 PWs) bands (ev): 12.3809 12.3809 12.6038 12.6038 12.6398 12.6398 14.9592 14.9592 15.2409 15.2409 15.5425 15.5425 16.1946 16.1946 18.5750 18.5750 18.6103 18.6103 18.6651 18.6651 21.1206 21.1206 23.4579 23.4579 k = 0.4444 0.3849-0.0000 ( 646 PWs) bands (ev): 12.4138 12.4138 12.6112 12.6112 12.6699 12.6699 14.9180 14.9180 15.2282 15.2282 15.5343 15.5343 16.2009 16.2009 18.5471 18.5471 18.6060 18.6060 18.6513 18.6513 21.1854 21.1854 23.5029 23.5029 k = 0.4407 0.3913-0.0000 ( 646 PWs) bands (ev): 12.4484 12.4484 12.6189 12.6189 12.7013 12.7013 14.8754 14.8754 15.2151 15.2151 15.5254 15.5254 16.2078 16.2078 18.5176 18.5176 18.6006 18.6006 18.6386 18.6386 21.2540 21.2540 23.5496 23.5496 k = 0.4370 0.3977-0.0000 ( 646 PWs) bands (ev): 12.4847 12.4847 12.6268 12.6268 12.7340 12.7340 14.8315 14.8315 15.2017 15.2017 15.5159 15.5159 16.2153 16.2153 18.4872 18.4872 18.5937 18.5937 18.6271 18.6271 21.3260 21.3260 23.5980 23.5980 k = 0.4333 0.4041-0.0000 ( 646 PWs) bands (ev): 12.5225 12.5225 12.6349 12.6349 12.7677 12.7677 14.7865 14.7865 15.1881 15.1881 15.5059 15.5059 16.2234 16.2234 18.4562 18.4562 18.5850 18.5850 18.6169 18.6169 21.4015 21.4015 23.6477 23.6477 k = 0.4296 0.4106-0.0000 ( 646 PWs) bands (ev): 12.5619 12.5619 12.6432 12.6432 12.8024 12.8024 14.7406 14.7406 15.1744 15.1744 15.4953 15.4953 16.2322 16.2322 18.4249 18.4249 18.5746 18.5746 18.6077 18.6077 21.4803 21.4803 23.6987 23.6987 k = 0.4259 0.4170-0.0000 ( 646 PWs) bands (ev): 12.6026 12.6026 12.6515 12.6515 12.8377 12.8377 14.6940 14.6940 15.1607 15.1607 15.4842 15.4842 16.2416 16.2416 18.3938 18.3938 18.5629 18.5629 18.5991 18.5991 21.5622 21.5622 23.7509 23.7509 k = 0.4222 0.4234-0.0000 ( 646 PWs) bands (ev): 12.6446 12.6446 12.6600 12.6600 12.8737 12.8737 14.6468 14.6468 15.1470 15.1470 15.4725 15.4725 16.2517 16.2517 18.3630 18.3630 18.5506 18.5506 18.5907 18.5907 21.6471 21.6471 23.8041 23.8041 k = 0.4185 0.4298-0.0000 ( 650 PWs) bands (ev): 12.6683 12.6683 12.6876 12.6876 12.9100 12.9100 14.5991 14.5991 15.1334 15.1334 15.4602 15.4602 16.2625 16.2625 18.3326 18.3326 18.5377 18.5377 18.5819 18.5819 21.7349 21.7349 23.8581 23.8581 k = 0.4148 0.4362-0.0000 ( 650 PWs) bands (ev): 12.6767 12.6767 12.7317 12.7317 12.9466 12.9466 14.5512 14.5512 15.1203 15.1203 15.4475 15.4475 16.2739 16.2739 18.3032 18.3032 18.5250 18.5250 18.5727 18.5727 21.8254 21.8254 23.9131 23.9131 k = 0.4111 0.4426-0.0000 ( 650 PWs) bands (ev): 12.6850 12.6850 12.7766 12.7766 12.9832 12.9832 14.5031 14.5031 15.1076 15.1076 15.4342 15.4342 16.2861 16.2861 18.2747 18.2747 18.5123 18.5123 18.5629 18.5629 21.9186 21.9186 23.9687 23.9687 k = 0.4074 0.4491-0.0000 ( 652 PWs) bands (ev): 12.6932 12.6932 12.8221 12.8221 13.0196 13.0196 14.4548 14.4548 15.0954 15.0954 15.4205 15.4205 16.2988 16.2988 18.2474 18.2474 18.4999 18.4999 18.5525 18.5525 22.0142 22.0142 24.0251 24.0251 k = 0.4037 0.4555-0.0000 ( 652 PWs) bands (ev): 12.7011 12.7011 12.8682 12.8682 13.0557 13.0557 14.4069 14.4069 15.0835 15.0835 15.4068 15.4068 16.3124 16.3124 18.2214 18.2214 18.4877 18.4877 18.5414 18.5414 22.1123 22.1123 24.0821 24.0821 k = 0.4000 0.4619-0.0000 ( 652 PWs) bands (ev): 12.7088 12.7088 12.9146 12.9146 13.0913 13.0913 14.3592 14.3592 15.0727 15.0727 15.3921 15.3921 16.3265 16.3265 18.1970 18.1970 18.4760 18.4760 18.5297 18.5297 22.2126 22.2126 24.1397 24.1397 k = 0.3963 0.4683-0.0000 ( 652 PWs) bands (ev): 12.7162 12.7162 12.9612 12.9612 13.1263 13.1263 14.3118 14.3118 15.0628 15.0628 15.3771 15.3771 16.3412 16.3412 18.1743 18.1743 18.4646 18.4646 18.5173 18.5173 22.3150 22.3150 24.1979 24.1979 k = 0.3926 0.4747-0.0000 ( 653 PWs) bands (ev): 12.7233 12.7233 13.0076 13.0076 13.1603 13.1603 14.2649 14.2649 15.0538 15.0538 15.3617 15.3617 16.3565 16.3565 18.1535 18.1535 18.4537 18.4537 18.5042 18.5042 22.4195 22.4195 24.2567 24.2567 k = 0.3889 0.4811-0.0000 ( 653 PWs) bands (ev): 12.7300 12.7300 13.0541 13.0541 13.1934 13.1934 14.2186 14.2186 15.0458 15.0458 15.3460 15.3460 16.3721 16.3721 18.1348 18.1348 18.4432 18.4432 18.4906 18.4906 22.5258 22.5258 24.3162 24.3162 k = 0.3852 0.4875-0.0000 ( 657 PWs) bands (ev): 12.7360 12.7360 13.1000 13.1000 13.2251 13.2251 14.1729 14.1729 15.0389 15.0389 15.3300 15.3300 16.3880 16.3880 18.1183 18.1183 18.4331 18.4331 18.4763 18.4763 22.6338 22.6338 24.3762 24.3762 k = 0.3815 0.4940-0.0000 ( 661 PWs) bands (ev): 12.7418 12.7418 13.1454 13.1454 13.2557 13.2557 14.1281 14.1281 15.0333 15.0333 15.3137 15.3137 16.4040 16.4040 18.1038 18.1038 18.4233 18.4233 18.4615 18.4615 22.7434 22.7434 24.4370 24.4370 k = 0.3778 0.5004-0.0000 ( 657 PWs) bands (ev): 12.7471 12.7471 13.1901 13.1901 13.2849 13.2849 14.0845 14.0845 15.0290 15.0290 15.2973 15.2973 16.4201 16.4201 18.0923 18.0923 18.4136 18.4136 18.4469 18.4469 22.8545 22.8545 24.4985 24.4985 k = 0.3741 0.5068-0.0000 ( 653 PWs) bands (ev): 12.7519 12.7519 13.2337 13.2337 13.3129 13.3129 14.0420 14.0420 15.0261 15.0261 15.2808 15.2808 16.4359 16.4359 18.0835 18.0835 18.4036 18.4036 18.4325 18.4325 22.9668 22.9668 24.5608 24.5608 k = 0.3704 0.5132-0.0000 ( 649 PWs) bands (ev): 12.7563 12.7563 13.2760 13.2760 13.3391 13.3391 14.0005 14.0005 15.0248 15.0248 15.2642 15.2642 16.4513 16.4513 18.0775 18.0775 18.3923 18.3923 18.4196 18.4196 23.0798 23.0798 24.6239 24.6239 k = 0.3667 0.5196-0.0000 ( 653 PWs) bands (ev): 12.7599 12.7599 13.3166 13.3166 13.3635 13.3635 13.9600 13.9600 15.0246 15.0246 15.2474 15.2474 16.4661 16.4661 18.0744 18.0744 18.3784 18.3784 18.4089 18.4089 23.1933 23.1933 24.6879 24.6879 k = 0.3630 0.5260-0.0000 ( 653 PWs) bands (ev): 12.7631 12.7631 13.3553 13.3553 13.3862 13.3862 13.9215 13.9215 15.0260 15.0260 15.2307 15.2307 16.4802 16.4802 18.0743 18.0743 18.3622 18.3622 18.4006 18.4006 23.3068 23.3068 24.7530 24.7530 k = 0.3593 0.5324-0.0000 ( 657 PWs) bands (ev): 12.7657 12.7657 13.3914 13.3914 13.4072 13.4072 13.8849 13.8849 15.0288 15.0288 15.2140 15.2140 16.4932 16.4932 18.0772 18.0772 18.3442 18.3442 18.3939 18.3939 23.4196 23.4196 24.8192 24.8192 k = 0.3556 0.5389-0.0000 ( 653 PWs) bands (ev): 12.7680 12.7680 13.4251 13.4251 13.4266 13.4266 13.8506 13.8506 15.0331 15.0331 15.1978 15.1978 16.5051 16.5051 18.0833 18.0833 18.3250 18.3250 18.3889 18.3889 23.5307 23.5307 24.8866 24.8866 k = 0.3519 0.5453-0.0000 ( 653 PWs) bands (ev): 12.7697 12.7697 13.4440 13.4440 13.4547 13.4547 13.8193 13.8193 15.0388 15.0388 15.1818 15.1818 16.5155 16.5155 18.0923 18.0923 18.3050 18.3050 18.3849 18.3849 23.6386 23.6386 24.9552 24.9552 k = 0.3481 0.5517-0.0000 ( 651 PWs) bands (ev): 12.7710 12.7710 13.4600 13.4600 13.4795 13.4795 13.7917 13.7917 15.0458 15.0458 15.1663 15.1663 16.5244 16.5244 18.1043 18.1043 18.2844 18.2844 18.3817 18.3817 23.7410 23.7410 25.0253 25.0253 k = 0.3444 0.5581-0.0000 ( 651 PWs) bands (ev): 12.7719 12.7719 13.4741 13.4741 13.4983 13.4983 13.7690 13.7690 15.0539 15.0539 15.1516 15.1516 16.5313 16.5313 18.1187 18.1187 18.2634 18.2634 18.3793 18.3793 23.8342 23.8342 25.0969 25.0969 k = 0.3407 0.5645-0.0000 ( 651 PWs) bands (ev): 12.7725 12.7725 13.4867 13.4867 13.5097 13.5097 13.7525 13.7525 15.0624 15.0624 15.1383 15.1383 16.5364 16.5364 18.1349 18.1349 18.2428 18.2428 18.3776 18.3776 23.9127 23.9127 25.1700 25.1700 k = 0.3370 0.5709-0.0000 ( 651 PWs) bands (ev): 12.7728 12.7728 13.4978 13.4978 13.5127 13.5127 13.7430 13.7430 15.0700 15.0700 15.1278 15.1278 16.5395 16.5395 18.1508 18.1508 18.2243 18.2243 18.3766 18.3766 23.9679 23.9679 25.2442 25.2442 k = 0.3333 0.5774-0.0000 ( 651 PWs) bands (ev): 12.7729 12.7729 13.5065 13.5065 13.5083 13.5083 13.7402 13.7402 15.0735 15.0735 15.1234 15.1234 16.5405 16.5405 18.1592 18.1592 18.2152 18.2152 18.3763 18.3763 23.9888 23.9888 25.3055 25.3055 k = 0.3333 0.5774-0.0000 ( 651 PWs) bands (ev): 12.7729 12.7729 13.5065 13.5065 13.5083 13.5083 13.7402 13.7402 15.0735 15.0735 15.1234 15.1234 16.5405 16.5405 18.1592 18.1592 18.2152 18.2152 18.3763 18.3763 23.9888 23.9888 25.3055 25.3055 k = 0.3296 0.5709-0.0000 ( 651 PWs) bands (ev): 12.7728 12.7728 13.4955 13.4955 13.5157 13.5157 13.7423 13.7423 15.0698 15.0698 15.1281 15.1281 16.5395 16.5395 18.1499 18.1499 18.2252 18.2252 18.3766 18.3766 23.9654 23.9654 25.2686 25.2686 k = 0.3259 0.5645-0.0000 ( 651 PWs) bands (ev): 12.7727 12.7727 13.4792 13.4792 13.5225 13.5225 13.7471 13.7471 15.0609 15.0609 15.1398 15.1398 16.5364 16.5364 18.1298 18.1298 18.2470 18.2470 18.3776 18.3776 23.8952 23.8952 25.2694 25.2694 k = 0.3222 0.5581-0.0000 ( 651 PWs) bands (ev): 12.7725 12.7725 13.4602 13.4602 13.5283 13.5283 13.7525 13.7525 15.0501 15.0501 15.1555 15.1555 16.5312 16.5312 18.1061 18.1061 18.2733 18.2733 18.3791 18.3791 23.7853 23.7853 25.3144 25.3144 k = 0.3185 0.5517-0.0000 ( 653 PWs) bands (ev): 12.7725 12.7725 13.4397 13.4397 13.5329 13.5329 13.7572 13.7572 15.0388 15.0388 15.1735 15.1735 16.5240 16.5240 18.0808 18.0808 18.3014 18.3014 18.3813 18.3813 23.6473 23.6473 25.3926 25.3926 k = 0.3148 0.5453-0.0000 ( 653 PWs) bands (ev): 12.7726 12.7726 13.4188 13.4188 13.5365 13.5365 13.7602 13.7602 15.0276 15.0276 15.1933 15.1933 16.5149 16.5149 18.0544 18.0544 18.3304 18.3304 18.3844 18.3844 23.4915 23.4915 25.4939 25.4939 k = 0.3111 0.5389-0.0000 ( 651 PWs) bands (ev): 12.7731 12.7731 13.3979 13.3979 13.5392 13.5392 13.7610 13.7610 15.0169 15.0169 15.2147 15.2147 16.5040 16.5040 18.0273 18.0273 18.3587 18.3587 18.3893 18.3893 23.3251 23.3251 25.6110 25.6110 k = 0.3074 0.5324-0.0000 ( 655 PWs) bands (ev): 12.7737 12.7737 13.3773 13.3773 13.5410 13.5410 13.7588 13.7588 15.0064 15.0064 15.2371 15.2371 16.4913 16.4913 17.9994 17.9994 18.3797 18.3797 18.4015 18.4015 23.1527 23.1527 25.7393 25.7393 k = 0.3037 0.5260-0.0000 ( 655 PWs) bands (ev): 12.7749 12.7749 13.3569 13.3569 13.5420 13.5420 13.7536 13.7536 14.9969 14.9969 15.2609 15.2609 16.4769 16.4769 17.9710 17.9710 18.3885 18.3885 18.4263 18.4263 22.9775 22.9775 25.8756 25.8756 k = 0.3000 0.5196-0.0000 ( 659 PWs) bands (ev): 12.7765 12.7765 13.3373 13.3373 13.5424 13.5424 13.7450 13.7450 14.9881 14.9881 15.2856 15.2856 16.4609 16.4609 17.9420 17.9420 18.3937 18.3937 18.4538 18.4538 22.8011 22.8011 26.0173 26.0173 k = 0.2963 0.5132-0.0000 ( 659 PWs) bands (ev): 12.7786 12.7786 13.3182 13.3182 13.5423 13.5423 13.7334 13.7334 14.9803 14.9803 15.3112 15.3112 16.4434 16.4434 17.9126 17.9126 18.3985 18.3985 18.4811 18.4811 22.6251 22.6251 26.1599 26.1599 k = 0.2926 0.5068-0.0000 ( 659 PWs) bands (ev): 12.7815 12.7815 13.2995 13.2995 13.5417 13.5417 13.7187 13.7187 14.9732 14.9732 15.3377 15.3377 16.4245 16.4245 17.8826 17.8826 18.4034 18.4034 18.5071 18.5071 22.4503 22.4503 26.2887 26.2887 k = 0.2889 0.5004-0.0000 ( 655 PWs) bands (ev): 12.7851 12.7851 13.2813 13.2813 13.5406 13.5406 13.7010 13.7010 14.9672 14.9672 15.3649 15.3649 16.4043 16.4043 17.8523 17.8523 18.4084 18.4084 18.5317 18.5317 22.2772 22.2772 26.3984 26.3984 k = 0.2852 0.4940-0.0000 ( 655 PWs) bands (ev): 12.7895 12.7895 13.2628 13.2628 13.5392 13.5392 13.6804 13.6804 14.9621 14.9621 15.3927 15.3927 16.3828 16.3828 17.8215 17.8215 18.4136 18.4136 18.5538 18.5538 22.1062 22.1062 26.5033 26.5033 k = 0.2815 0.4875-0.0000 ( 655 PWs) bands (ev): 12.7947 12.7947 13.2439 13.2439 13.5375 13.5375 13.6574 13.6574 14.9580 14.9580 15.4212 15.4212 16.3601 16.3601 17.7902 17.7902 18.4190 18.4190 18.5734 18.5734 21.9378 21.9378 26.6073 26.6073 k = 0.2778 0.4811-0.0000 ( 655 PWs) bands (ev): 12.8010 12.8010 13.2241 13.2241 13.5355 13.5355 13.6324 13.6324 14.9549 14.9549 15.4502 15.4502 16.3364 16.3364 17.7586 17.7586 18.4245 18.4245 18.5903 18.5903 21.7721 21.7721 26.7111 26.7111 k = 0.2741 0.4747-0.0000 ( 655 PWs) bands (ev): 12.8082 12.8082 13.2027 13.2027 13.5332 13.5332 13.6062 13.6062 14.9530 14.9530 15.4796 15.4796 16.3116 16.3116 17.7266 17.7266 18.4302 18.4302 18.6042 18.6042 21.6093 21.6093 26.8143 26.8143 k = 0.2704 0.4683-0.0000 ( 655 PWs) bands (ev): 12.8165 12.8165 13.1788 13.1788 13.5308 13.5308 13.5796 13.5796 14.9521 14.9521 15.5094 15.5094 16.2860 16.2860 17.6943 17.6943 18.4359 18.4359 18.6150 18.6150 21.4494 21.4494 26.9165 26.9165 k = 0.2667 0.4619-0.0000 ( 653 PWs) bands (ev): 12.8260 12.8260 13.1516 13.1516 13.5282 13.5282 13.5538 13.5538 14.9523 14.9523 15.5395 15.5395 16.2596 16.2596 17.6616 17.6616 18.4418 18.4418 18.6224 18.6224 21.2927 21.2927 27.0168 27.0168 k = 0.2630 0.4555-0.0000 ( 653 PWs) bands (ev): 12.8367 12.8367 13.1198 13.1198 13.5254 13.5254 13.5297 13.5297 14.9537 14.9537 15.5699 15.5699 16.2324 16.2324 17.6287 17.6287 18.4477 18.4477 18.6263 18.6263 21.1390 21.1390 27.1144 27.1144 k = 0.2593 0.4491-0.0000 ( 649 PWs) bands (ev): 12.8487 12.8487 13.0825 13.0825 13.5085 13.5085 13.5224 13.5224 14.9565 14.9565 15.6006 15.6006 16.2046 16.2046 17.5955 17.5955 18.4539 18.4539 18.6265 18.6265 20.9885 20.9885 27.2082 27.2082 k = 0.2556 0.4426-0.0000 ( 645 PWs) bands (ev): 12.8620 12.8620 13.0391 13.0391 13.4909 13.4909 13.5193 13.5193 14.9602 14.9602 15.6312 15.6312 16.1766 16.1766 17.5624 17.5624 18.4599 18.4599 18.6231 18.6231 20.8411 20.8411 27.2973 27.2973 k = 0.2519 0.4362-0.0000 ( 645 PWs) bands (ev): 12.8767 12.8767 12.9891 12.9891 13.4774 13.4774 13.5159 13.5159 14.9651 14.9651 15.6619 15.6619 16.1478 16.1478 17.5286 17.5286 18.4659 18.4659 18.6158 18.6158 20.6968 20.6968 27.3804 27.3804 k = 0.2481 0.4298-0.0000 ( 641 PWs) bands (ev): 12.8928 12.8928 12.9326 12.9326 13.4681 13.4681 13.5124 13.5124 14.9716 14.9716 15.6928 15.6928 16.1186 16.1186 17.4948 17.4948 18.4719 18.4719 18.6047 18.6047 20.5556 20.5556 27.4564 27.4564 k = 0.2444 0.4234-0.0000 ( 641 PWs) bands (ev): 12.8699 12.8699 12.9103 12.9103 13.4629 13.4629 13.5087 13.5087 14.9789 14.9789 15.7234 15.7234 16.0892 16.0892 17.4607 17.4607 18.4778 18.4778 18.5897 18.5897 20.4174 20.4174 27.5240 27.5240 k = 0.2407 0.4170-0.0000 ( 641 PWs) bands (ev): 12.8014 12.8014 12.9293 12.9293 13.4614 13.4614 13.5046 13.5046 14.9874 14.9874 15.7539 15.7539 16.0597 16.0597 17.4263 17.4263 18.4836 18.4836 18.5708 18.5708 20.2823 20.2823 27.5825 27.5825 k = 0.2370 0.4106-0.0000 ( 645 PWs) bands (ev): 12.7276 12.7276 12.9498 12.9498 13.4632 13.4632 13.5003 13.5003 14.9971 14.9971 15.7840 15.7840 16.0302 16.0302 17.3918 17.3918 18.4893 18.4893 18.5477 18.5477 20.1500 20.1500 27.6310 27.6310 k = 0.2333 0.4041-0.0000 ( 645 PWs) bands (ev): 12.6490 12.6490 12.9719 12.9719 13.4682 13.4682 13.4955 13.4955 15.0080 15.0080 15.8137 15.8137 16.0010 16.0010 17.3573 17.3573 18.4949 18.4949 18.5211 18.5211 20.0207 20.0207 27.6688 27.6688 k = 0.2296 0.3977-0.0000 ( 645 PWs) bands (ev): 12.5661 12.5661 12.9957 12.9957 13.4760 13.4760 13.4905 13.4905 15.0202 15.0202 15.8425 15.8425 15.9728 15.9728 17.3225 17.3225 18.4905 18.4905 18.5006 18.5006 19.8941 19.8941 27.6954 27.6954 k = 0.2259 0.3913-0.0000 ( 645 PWs) bands (ev): 12.4793 12.4793 13.0210 13.0210 13.4836 13.4836 13.4875 13.4875 15.0335 15.0335 15.8688 15.8688 15.9470 15.9470 17.2878 17.2878 18.4566 18.4566 18.5058 18.5058 19.7704 19.7704 27.7075 27.7075 k = 0.2222 0.3849-0.0000 ( 645 PWs) bands (ev): 12.3889 12.3889 13.0481 13.0481 13.4782 13.4782 13.4995 13.4995 15.0480 15.0480 15.8841 15.8841 15.9323 15.9323 17.2529 17.2529 18.4190 18.4190 18.5109 18.5109 19.6492 19.6492 27.6623 27.6623 k = 0.2185 0.3785-0.0000 ( 643 PWs) bands (ev): 12.2954 12.2954 13.0769 13.0769 13.4715 13.4715 13.5146 13.5146 15.0638 15.0638 15.8720 15.8720 15.9452 15.9452 17.2181 17.2181 18.3780 18.3780 18.5158 18.5158 19.5307 19.5307 27.4986 27.4986 k = 0.2148 0.3721-0.0000 ( 643 PWs) bands (ev): 12.1990 12.1990 13.1074 13.1074 13.4638 13.4638 13.5315 13.5315 15.0806 15.0806 15.8481 15.8481 15.9701 15.9701 17.1832 17.1832 18.3336 18.3336 18.5205 18.5205 19.4147 19.4147 27.3158 27.3158 k = 0.2111 0.3657-0.0000 ( 643 PWs) bands (ev): 12.1000 12.1000 13.1396 13.1396 13.4553 13.4553 13.5503 13.5503 15.0987 15.0987 15.8225 15.8225 15.9971 15.9971 17.1483 17.1483 18.2860 18.2860 18.5250 18.5250 19.3011 19.3011 27.1313 27.1313 k = 0.2074 0.3592-0.0000 ( 643 PWs) bands (ev): 11.9988 11.9988 13.1736 13.1736 13.4457 13.4457 13.5710 13.5710 15.1179 15.1179 15.7971 15.7971 16.0245 16.0245 17.1135 17.1135 18.2354 18.2354 18.5293 18.5293 19.1899 19.1899 26.9467 26.9467 k = 0.2037 0.3528-0.0000 ( 641 PWs) bands (ev): 11.8956 11.8956 13.2093 13.2093 13.4352 13.4352 13.5933 13.5933 15.1383 15.1383 15.7723 15.7723 16.0518 16.0518 17.0787 17.0787 18.1822 18.1822 18.5332 18.5332 19.0812 19.0812 26.7626 26.7626 k = 0.2000 0.3464-0.0000 ( 641 PWs) bands (ev): 11.7906 11.7906 13.2469 13.2469 13.4234 13.4234 13.6173 13.6173 15.1597 15.1597 15.7486 15.7486 16.0787 16.0787 17.0440 17.0440 18.1261 18.1261 18.5368 18.5368 18.9746 18.9746 26.5792 26.5792 k = 0.1963 0.3400-0.0000 ( 641 PWs) bands (ev): 11.6841 11.6841 13.2863 13.2863 13.4104 13.4104 13.6428 13.6428 15.1822 15.1822 15.7261 15.7261 16.1052 16.1052 17.0094 17.0094 18.0676 18.0676 18.5401 18.5401 18.8703 18.8703 26.3965 26.3965 k = 0.1926 0.3336-0.0000 ( 641 PWs) bands (ev): 11.5764 11.5764 13.3275 13.3275 13.3960 13.3960 13.6698 13.6698 15.2057 15.2057 15.7049 15.7049 16.1313 16.1313 16.9750 16.9750 18.0069 18.0069 18.5427 18.5427 18.7684 18.7684 26.2145 26.2145 k = 0.1889 0.3272-0.0000 ( 641 PWs) bands (ev): 11.4676 11.4676 13.3702 13.3702 13.3804 13.3804 13.6981 13.6981 15.2303 15.2303 15.6853 15.6853 16.1568 16.1568 16.9407 16.9407 17.9441 17.9441 18.5441 18.5441 18.6695 18.6695 26.0334 26.0334 k = 0.1852 0.3208-0.0000 ( 641 PWs) bands (ev): 11.3579 11.3579 13.3626 13.3626 13.4156 13.4156 13.7279 13.7279 15.2558 15.2558 15.6673 15.6673 16.1818 16.1818 16.9066 16.9066 17.8794 17.8794 18.5367 18.5367 18.5811 18.5811 25.8530 25.8530 k = 0.1815 0.3143-0.0000 ( 641 PWs) bands (ev): 11.2477 11.2477 13.3435 13.3435 13.4623 13.4623 13.7588 13.7588 15.2823 15.2823 15.6510 15.6510 16.2062 16.2062 16.8727 16.8727 17.8132 17.8132 18.4663 18.4663 18.5574 18.5574 25.6735 25.6735 k = 0.1778 0.3079-0.0000 ( 641 PWs) bands (ev): 11.1370 11.1370 13.3228 13.3228 13.5109 13.5109 13.7910 13.7910 15.3096 15.3096 15.6366 15.6366 16.2300 16.2300 16.8390 16.8390 17.7456 17.7456 18.3742 18.3742 18.5569 18.5569 25.4948 25.4948 k = 0.1741 0.3015-0.0000 ( 641 PWs) bands (ev): 11.0261 11.0261 13.3003 13.3003 13.5614 13.5614 13.8243 13.8243 15.3378 15.3378 15.6242 15.6242 16.2531 16.2531 16.8057 16.8057 17.6767 17.6767 18.2823 18.2823 18.5578 18.5578 25.3169 25.3169 k = 0.1704 0.2951-0.0000 ( 641 PWs) bands (ev): 10.9151 10.9151 13.2760 13.2760 13.6137 13.6137 13.8588 13.8588 15.3667 15.3667 15.6138 15.6138 16.2756 16.2756 16.7726 16.7726 17.6069 17.6069 18.1919 18.1919 18.5587 18.5587 25.1399 25.1399 k = 0.1667 0.2887-0.0000 ( 643 PWs) bands (ev): 10.8043 10.8043 13.2499 13.2499 13.6681 13.6681 13.8941 13.8941 15.3960 15.3960 15.6053 15.6053 16.2974 16.2974 16.7398 16.7398 17.5364 17.5364 18.1030 18.1030 18.5595 18.5595 24.9637 24.9637 k = 0.1630 0.2823-0.0000 ( 643 PWs) bands (ev): 10.6938 10.6938 13.2221 13.2221 13.7242 13.7242 13.9305 13.9305 15.4260 15.4260 15.5993 15.5993 16.3184 16.3184 16.7076 16.7076 17.4653 17.4653 18.0160 18.0160 18.5600 18.5600 24.7884 24.7884 k = 0.1593 0.2758-0.0000 ( 643 PWs) bands (ev): 10.5837 10.5837 13.1924 13.1924 13.7822 13.7822 13.9678 13.9678 15.4562 15.4562 15.5960 15.5960 16.3386 16.3386 16.6759 16.6759 17.3939 17.3939 17.9307 17.9307 18.5601 18.5601 24.6140 24.6140 k = 0.1556 0.2694-0.0000 ( 643 PWs) bands (ev): 10.4743 10.4743 13.1609 13.1609 13.8419 13.8419 14.0059 14.0059 15.4862 15.4862 15.5956 15.5956 16.3578 16.3578 16.6448 16.6448 17.3223 17.3223 17.8472 17.8472 18.5600 18.5600 24.4405 24.4405 k = 0.1519 0.2630-0.0000 ( 643 PWs) bands (ev): 10.3656 10.3656 13.1277 13.1277 13.9036 13.9036 14.0448 14.0448 15.5148 15.5148 15.5990 15.5990 16.3758 16.3758 16.6147 16.6147 17.2507 17.2507 17.7654 17.7654 18.5595 18.5595 24.2678 24.2678 k = 0.1481 0.2566-0.0000 ( 639 PWs) bands (ev): 10.2578 10.2578 13.0930 13.0930 13.9671 13.9671 14.0844 14.0844 15.5403 15.5403 15.6083 15.6083 16.3923 16.3923 16.5858 16.5858 17.1796 17.1796 17.6855 17.6855 18.5589 18.5589 24.0960 24.0960 k = 0.1444 0.2502-0.0000 ( 635 PWs) bands (ev): 10.1512 10.1512 13.0566 13.0566 14.0324 14.0324 14.1246 14.1246 15.5599 15.5599 15.6258 15.6258 16.4063 16.4063 16.5592 16.5592 17.1089 17.1089 17.6079 17.6079 18.5577 18.5577 23.9251 23.9251 k = 0.1407 0.2438-0.0000 ( 635 PWs) bands (ev): 10.0457 10.0457 13.0187 13.0187 14.0995 14.0995 14.1654 14.1654 15.5739 15.5739 15.6511 15.6511 16.4161 16.4161 16.5365 16.5365 17.0385 17.0385 17.5315 17.5315 18.5561 18.5561 23.7552 23.7552 k = 0.1370 0.2374-0.0000 ( 631 PWs) bands (ev): 9.9415 9.9415 12.9796 12.9796 14.1684 14.1684 14.2069 14.2069 15.5852 15.5852 15.6815 15.6815 16.4186 16.4186 16.5213 16.5213 16.9688 16.9688 17.4569 17.4569 18.5542 18.5542 23.5861 23.5861 k = 0.1333 0.2309-0.0000 ( 631 PWs) bands (ev): 9.8387 9.8387 12.9391 12.9391 14.2380 14.2380 14.2497 14.2497 15.5958 15.5958 15.7144 15.7144 16.4103 16.4103 16.5162 16.5162 16.9000 16.9000 17.3841 17.3841 18.5519 18.5519 23.4179 23.4179 k = 0.1296 0.2245-0.0000 ( 635 PWs) bands (ev): 9.7375 9.7375 12.8975 12.8975 14.2894 14.2894 14.3129 14.3129 15.6067 15.6067 15.7484 15.7484 16.3927 16.3927 16.5201 16.5201 16.8320 16.8320 17.3127 17.3127 18.5492 18.5492 23.2507 23.2507 k = 0.1259 0.2181-0.0000 ( 635 PWs) bands (ev): 9.6380 9.6380 12.8549 12.8549 14.3322 14.3322 14.3869 14.3869 15.6185 15.6185 15.7835 15.7835 16.3699 16.3699 16.5291 16.5291 16.7654 16.7654 17.2436 17.2436 18.5462 18.5462 23.0844 23.0844 k = 0.1222 0.2117-0.0000 ( 633 PWs) bands (ev): 9.5403 9.5403 12.8115 12.8115 14.3748 14.3748 14.4629 14.4629 15.6312 15.6312 15.8191 15.8191 16.3448 16.3448 16.5404 16.5404 16.7003 16.7003 17.1764 17.1764 18.5428 18.5428 22.9190 22.9190 k = 0.1185 0.2053-0.0000 ( 629 PWs) bands (ev): 9.4444 9.4444 12.7674 12.7674 14.4176 14.4176 14.5409 14.5409 15.6452 15.6452 15.8552 15.8552 16.3186 16.3186 16.5525 16.5525 16.6365 16.6365 17.1111 17.1111 18.5390 18.5390 22.7546 22.7546 k = 0.1148 0.1989-0.0000 ( 629 PWs) bands (ev): 9.3506 9.3506 12.7227 12.7227 14.4604 14.4604 14.6204 14.6204 15.6598 15.6598 15.8911 15.8911 16.2920 16.2920 16.5627 16.5627 16.5761 16.5761 17.0476 17.0476 18.5349 18.5349 22.5912 22.5912 k = 0.1111 0.1925-0.0000 ( 633 PWs) bands (ev): 9.2588 9.2588 12.6776 12.6776 14.5029 14.5029 14.7014 14.7014 15.6752 15.6752 15.9270 15.9270 16.2655 16.2655 16.5121 16.5121 16.5781 16.5781 16.9861 16.9861 18.5304 18.5304 22.4286 22.4286 k = 0.1074 0.1860-0.0000 ( 637 PWs) bands (ev): 9.1692 9.1692 12.6320 12.6320 14.5456 14.5456 14.7844 14.7844 15.6913 15.6913 15.9625 15.9625 16.2392 16.2392 16.4527 16.4527 16.5900 16.5900 16.9265 16.9265 18.5256 18.5256 22.2670 22.2670 k = 0.1037 0.1796-0.0000 ( 637 PWs) bands (ev): 9.0818 9.0818 12.5866 12.5866 14.5881 14.5881 14.8690 14.8690 15.7080 15.7080 15.9972 15.9972 16.2138 16.2138 16.3954 16.3954 16.6018 16.6018 16.8691 16.8691 18.5205 18.5205 22.1065 22.1065 k = 0.1000 0.1732-0.0000 ( 637 PWs) bands (ev): 8.9968 8.9968 12.5413 12.5413 14.6304 14.6304 14.9552 14.9552 15.7253 15.7253 16.0302 16.0302 16.1898 16.1898 16.3400 16.3400 16.6132 16.6132 16.8138 16.8138 18.5151 18.5151 21.9470 21.9470 k = 0.0963 0.1668-0.0000 ( 641 PWs) bands (ev): 8.9142 8.9142 12.4961 12.4961 14.6725 14.6725 15.0429 15.0429 15.7427 15.7427 16.0590 16.0590 16.1694 16.1694 16.2868 16.2868 16.6236 16.6236 16.7609 16.7609 18.5095 18.5095 21.7885 21.7885 k = 0.0926 0.1604-0.0000 ( 643 PWs) bands (ev): 8.8341 8.8341 12.4513 12.4513 14.7141 14.7141 15.1322 15.1322 15.7606 15.7606 16.0765 16.0765 16.1596 16.1596 16.2362 16.2362 16.6328 16.6328 16.7113 16.7113 18.5036 18.5036 21.6310 21.6310 k = 0.0889 0.1540-0.0000 ( 643 PWs) bands (ev): 8.7566 8.7566 12.4070 12.4070 14.7554 14.7554 15.2228 15.2228 15.7787 15.7787 16.0726 16.0726 16.1666 16.1666 16.1921 16.1921 16.6341 16.6341 16.6716 16.6716 18.4975 18.4975 21.4746 21.4746 k = 0.0852 0.1475-0.0000 ( 643 PWs) bands (ev): 8.6818 8.6818 12.3634 12.3634 14.7962 14.7962 15.3149 15.3149 15.7969 15.7969 16.0533 16.0533 16.1389 16.1389 16.1999 16.1999 16.6043 16.6043 16.6649 16.6649 18.4911 18.4911 21.3192 21.3192 k = 0.0815 0.1411-0.0000 ( 643 PWs) bands (ev): 8.6096 8.6096 12.3205 12.3205 14.8365 14.8365 15.4081 15.4081 15.8151 15.8151 16.0275 16.0275 16.0983 16.0983 16.2288 16.2288 16.5625 16.5625 16.6724 16.6724 18.4846 18.4846 21.1650 21.1650 k = 0.0778 0.1347-0.0000 ( 643 PWs) bands (ev): 8.5402 8.5402 12.2786 12.2786 14.8762 14.8762 15.5024 15.5024 15.8329 15.8329 15.9980 15.9980 16.0611 16.0611 16.2594 16.2594 16.5212 16.5212 16.6818 16.6818 18.4779 18.4779 21.0118 21.0118 k = 0.0741 0.1283-0.0000 ( 643 PWs) bands (ev): 8.4737 8.4737 12.2378 12.2378 14.9152 14.9152 15.5975 15.5975 15.8503 15.8503 15.9664 15.9664 16.0281 16.0281 16.2898 16.2898 16.4822 16.4822 16.6916 16.6916 18.4710 18.4710 20.8598 20.8598 k = 0.0704 0.1219-0.0000 ( 651 PWs) bands (ev): 8.4100 8.4100 12.1975 12.1975 14.9533 14.9533 15.6924 15.6924 15.8657 15.8657 15.9350 15.9350 15.9988 15.9988 16.3182 16.3182 16.4466 16.4466 16.7017 16.7017 18.4638 18.4638 20.7089 20.7089 k = 0.0667 0.1155-0.0000 ( 651 PWs) bands (ev): 8.3493 8.3493 12.1591 12.1591 14.9909 14.9909 15.7845 15.7845 15.8743 15.8743 15.9131 15.9131 15.9723 15.9723 16.3409 16.3409 16.4185 16.4185 16.7122 16.7122 18.4568 18.4568 20.5593 20.5593 k = 0.0630 0.1091-0.0000 ( 651 PWs) bands (ev): 8.2916 8.2916 12.1221 12.1221 15.0277 15.0277 15.8412 15.8412 15.8786 15.8786 15.9281 15.9281 15.9507 15.9507 16.3443 16.3443 16.4112 16.4112 16.7233 16.7233 18.4498 18.4498 20.4108 20.4108 k = 0.0593 0.1026-0.0000 ( 651 PWs) bands (ev): 8.2369 8.2369 12.0867 12.0867 15.0637 15.0637 15.8190 15.8190 15.8994 15.8994 15.9309 15.9309 16.0051 16.0051 16.3249 16.3249 16.4280 16.4280 16.7353 16.7353 18.4428 18.4428 20.2637 20.2637 k = 0.0556 0.0962-0.0000 ( 651 PWs) bands (ev): 8.1854 8.1854 12.0528 12.0528 15.0988 15.0988 15.7897 15.7897 15.8879 15.8879 15.9366 15.9366 16.0969 16.0969 16.2996 16.2996 16.4522 16.4522 16.7487 16.7487 18.4358 18.4358 20.1179 20.1179 k = 0.0519 0.0898-0.0000 ( 651 PWs) bands (ev): 8.1369 8.1369 12.0207 12.0207 15.1331 15.1331 15.7608 15.7608 15.8667 15.8667 15.9491 15.9491 16.1906 16.1906 16.2745 16.2745 16.4775 16.4775 16.7645 16.7645 18.4289 18.4289 19.9736 19.9736 k = 0.0481 0.0834-0.0000 ( 653 PWs) bands (ev): 8.0916 8.0916 11.9904 11.9904 15.1664 15.1664 15.7333 15.7333 15.8444 15.8444 15.9616 15.9616 16.2497 16.2497 16.2831 16.2831 16.5024 16.5024 16.7841 16.7841 18.4222 18.4222 19.8307 19.8307 k = 0.0444 0.0770-0.0000 ( 653 PWs) bands (ev): 8.0496 8.0496 11.9620 11.9620 15.1988 15.1988 15.7075 15.7075 15.8220 15.8220 15.9732 15.9732 16.2286 16.2286 16.3684 16.3684 16.5272 16.5272 16.8098 16.8098 18.4157 18.4157 19.6894 19.6894 k = 0.0407 0.0706-0.0000 ( 649 PWs) bands (ev): 8.0107 8.0107 11.9356 11.9356 15.2304 15.2304 15.6835 15.6835 15.8000 15.8000 15.9837 15.9837 16.2094 16.2094 16.4443 16.4443 16.5522 16.5522 16.8448 16.8448 18.4095 18.4095 19.5499 19.5499 k = 0.0370 0.0642-0.0000 ( 651 PWs) bands (ev): 7.9752 7.9752 11.9110 11.9110 15.2608 15.2608 15.6612 15.6612 15.7781 15.7781 15.9927 15.9927 16.1926 16.1926 16.5047 16.5047 16.5783 16.5783 16.8930 16.8930 18.4035 18.4035 19.4122 19.4122 k = 0.0333 0.0577-0.0000 ( 651 PWs) bands (ev): 7.9429 7.9429 11.8887 11.8887 15.2903 15.2903 15.6409 15.6409 15.7566 15.7566 16.0000 16.0000 16.1783 16.1783 16.5468 16.5468 16.6060 16.6060 16.9565 16.9565 18.3978 18.3978 19.2767 19.2767 k = 0.0296 0.0513-0.0000 ( 647 PWs) bands (ev): 7.9140 7.9140 11.8687 11.8687 15.3188 15.3188 15.6225 15.6225 15.7357 15.7357 16.0058 16.0058 16.1667 16.1667 16.5744 16.5744 16.6324 16.6324 17.0343 17.0343 18.3925 18.3925 19.1439 19.1439 k = 0.0259 0.0449-0.0000 ( 647 PWs) bands (ev): 7.8884 7.8884 11.8508 11.8508 15.3463 15.3463 15.6056 15.6056 15.7153 15.7153 16.0099 16.0099 16.1574 16.1574 16.5937 16.5937 16.6539 16.6539 17.1223 17.1223 18.3876 18.3876 19.0140 19.0140 k = 0.0222 0.0385-0.0000 ( 643 PWs) bands (ev): 7.8662 7.8662 11.8354 11.8354 15.3728 15.3728 15.5904 15.5904 15.6957 15.6957 16.0124 16.0124 16.1506 16.1506 16.6085 16.6085 16.6706 16.6706 17.2166 17.2166 18.3834 18.3834 18.8879 18.8879 k = 0.0185 0.0321-0.0000 ( 643 PWs) bands (ev): 7.8474 7.8474 11.8221 11.8221 15.3982 15.3982 15.5764 15.5764 15.6771 15.6771 16.0137 16.0137 16.1457 16.1457 16.6200 16.6200 16.6832 16.6832 17.3135 17.3135 18.3791 18.3791 18.7670 18.7670 k = 0.0148 0.0257-0.0000 ( 643 PWs) bands (ev): 7.8320 7.8320 11.8113 11.8113 15.4225 15.4225 15.5632 15.5632 15.6601 15.6601 16.0140 16.0140 16.1425 16.1425 16.6289 16.6289 16.6927 16.6927 17.4094 17.4094 18.3749 18.3749 18.6535 18.6535 k = 0.0111 0.0192-0.0000 ( 639 PWs) bands (ev): 7.8200 7.8200 11.8029 11.8029 15.4456 15.4456 15.5505 15.5505 15.6453 15.6453 16.0137 16.0137 16.1406 16.1406 16.6357 16.6357 16.6997 16.6997 17.5000 17.5000 18.3702 18.3702 18.5517 18.5517 k = 0.0074 0.0128-0.0000 ( 635 PWs) bands (ev): 7.8114 7.8114 11.7969 11.7969 15.4673 15.4673 15.5372 15.5372 15.6337 15.6337 16.0133 16.0133 16.1395 16.1395 16.6404 16.6404 16.7047 16.7047 17.5786 17.5786 18.3621 18.3621 18.4703 18.4703 k = 0.0037 0.0064-0.0000 ( 635 PWs) bands (ev): 7.8062 7.8062 11.7932 11.7932 15.4875 15.4875 15.5227 15.5227 15.6261 15.6261 16.0129 16.0129 16.1389 16.1389 16.6431 16.6431 16.7075 16.7075 17.6347 17.6347 18.3471 18.3471 18.4225 18.4225 k = 0.0000 0.0000 0.0000 ( 639 PWs) bands (ev): 7.8045 7.8045 11.7919 11.7919 15.5046 15.5046 15.5073 15.5073 15.6232 15.6232 16.0127 16.0127 16.1387 16.1387 16.6440 16.6440 16.7084 16.7084 17.6556 17.6556 18.3366 18.3366 18.4097 18.4097 k = 0.0000 0.0000 0.0000 ( 639 PWs) bands (ev): 7.8045 7.8045 11.7919 11.7919 15.5046 15.5046 15.5073 15.5073 15.6232 15.6232 16.0127 16.0127 16.1387 16.1387 16.6440 16.6440 16.7084 16.7084 17.6556 17.6556 18.3366 18.3366 18.4097 18.4097 k = 0.0000 0.0000 0.0073 ( 639 PWs) bands (ev): 7.8062 7.8062 11.7918 11.7918 15.5039 15.5039 15.5067 15.5067 15.6225 15.6225 16.0121 16.0121 16.1380 16.1380 16.6455 16.6455 16.7098 16.7098 17.6502 17.6502 18.3366 18.3366 18.4097 18.4097 k = 0.0000 0.0000 0.0147 ( 651 PWs) bands (ev): 7.8112 7.8112 11.7912 11.7912 15.5018 15.5018 15.5048 15.5048 15.6203 15.6203 16.0102 16.0102 16.1359 16.1359 16.6498 16.6498 16.7137 16.7137 17.6341 17.6341 18.3359 18.3359 18.4087 18.4087 k = 0.0000 0.0000 0.0220 ( 645 PWs) bands (ev): 7.8197 7.8197 11.7909 11.7909 15.4986 15.4986 15.5023 15.5023 15.6174 15.6174 16.0073 16.0073 16.1327 16.1327 16.6574 16.6574 16.7206 16.7206 17.6076 17.6076 18.3359 18.3359 18.4084 18.4084 k = 0.0000 0.0000 0.0293 ( 645 PWs) bands (ev): 7.8314 7.8314 11.7901 11.7901 15.4940 15.4940 15.4984 15.4984 15.6128 15.6128 16.0031 16.0031 16.1280 16.1280 16.6679 16.6679 16.7301 16.7301 17.5709 17.5709 18.3357 18.3357 18.4078 18.4078 k = 0.0000 0.0000 0.0367 ( 639 PWs) bands (ev): 7.8466 7.8466 11.7898 11.7898 15.4881 15.4881 15.4935 15.4935 15.6071 15.6071 15.9977 15.9977 16.1221 16.1221 16.6811 16.6811 16.7422 16.7422 17.5246 17.5246 18.3357 18.3357 18.4073 18.4073 k = 0.0000 0.0000 0.0440 ( 639 PWs) bands (ev): 7.8650 7.8650 11.7883 11.7883 15.4809 15.4809 15.4877 15.4877 15.6004 15.6004 15.9911 15.9911 16.1148 16.1148 16.6970 16.6970 16.7568 16.7568 17.4691 17.4691 18.3353 18.3353 18.4063 18.4063 k = 0.0000 0.0000 0.0513 ( 639 PWs) bands (ev): 7.8868 7.8868 11.7865 11.7865 15.4726 15.4726 15.4812 15.4812 15.5928 15.5928 15.9834 15.9834 16.1064 16.1064 16.7154 16.7154 16.7738 16.7738 17.4051 17.4051 18.3347 18.3347 18.4051 18.4051 k = 0.0000 0.0000 0.0587 ( 639 PWs) bands (ev): 7.9119 7.9119 11.7841 11.7841 15.4630 15.4630 15.4740 15.4740 15.5844 15.5844 15.9746 15.9746 16.0967 16.0967 16.7361 16.7361 16.7929 16.7929 17.3334 17.3334 18.3340 18.3340 18.4035 18.4035 k = 0.0000 0.0000 0.0660 ( 639 PWs) bands (ev): 7.9403 7.9403 11.7812 11.7812 15.4523 15.4523 15.4662 15.4662 15.5755 15.5755 15.9648 15.9648 16.0860 16.0860 16.7590 16.7590 16.8142 16.8142 17.2547 17.2547 18.3330 18.3330 18.4017 18.4017 k = 0.0000 0.0000 0.0733 ( 639 PWs) bands (ev): 7.9719 7.9719 11.7775 11.7775 15.4405 15.4405 15.4581 15.4581 15.5661 15.5661 15.9539 15.9539 16.0741 16.0741 16.7838 16.7838 16.8374 16.8374 17.1697 17.1697 18.3317 18.3317 18.3995 18.3995 k = 0.0000 0.0000 0.0807 ( 639 PWs) bands (ev): 8.0068 8.0068 11.7731 11.7731 15.4277 15.4277 15.4496 15.4496 15.5564 15.5564 15.9421 15.9421 16.0613 16.0613 16.8104 16.8104 16.8624 16.8624 17.0793 17.0793 18.3301 18.3301 18.3969 18.3969 k = 0.0000 0.0000 0.0880 ( 639 PWs) bands (ev): 8.0448 8.0448 11.7676 11.7676 15.4138 15.4138 15.4410 15.4410 15.5465 15.5465 15.9294 15.9294 16.0475 16.0475 16.8386 16.8386 16.8891 16.8891 16.9842 16.9842 18.3281 18.3281 18.3939 18.3939 k = 0.0000 0.0000 0.0953 ( 639 PWs) bands (ev): 8.0861 8.0861 11.7611 11.7611 15.3990 15.3990 15.4324 15.4324 15.5366 15.5366 15.9159 15.9159 16.0328 16.0328 16.8684 16.8684 16.8854 16.8854 16.9173 16.9173 18.3256 18.3256 18.3904 18.3904 k = 0.0000 0.0000 0.1027 ( 639 PWs) bands (ev): 8.1304 8.1304 11.7533 11.7533 15.3834 15.3834 15.4237 15.4237 15.5267 15.5267 15.9015 15.9015 16.0172 16.0172 16.7835 16.7835 16.8994 16.8994 16.9468 16.9468 18.3227 18.3227 18.3864 18.3864 k = 0.0000 0.0000 0.1100 ( 651 PWs) bands (ev): 8.1779 8.1779 11.7439 11.7439 15.3668 15.3668 15.4146 15.4146 15.5163 15.5163 15.8861 15.8861 16.0006 16.0006 16.6794 16.6794 16.9315 16.9315 16.9776 16.9776 18.3188 18.3188 18.3814 18.3814 k = 0.0000 0.0000 0.1173 ( 651 PWs) bands (ev): 8.2284 8.2284 11.7330 11.7330 15.3495 15.3495 15.4064 15.4064 15.5069 15.5069 15.8704 15.8704 15.9836 15.9836 16.5738 16.5738 16.9648 16.9648 17.0095 17.0095 18.3147 18.3147 18.3762 18.3762 k = 0.0000 0.0000 0.1247 ( 657 PWs) bands (ev): 8.2819 8.2819 11.7201 11.7201 15.3309 15.3309 15.3985 15.3985 15.4978 15.4978 15.8540 15.8540 15.9660 15.9660 16.4673 16.4673 16.9987 16.9987 17.0422 17.0422 18.3099 18.3099 18.3702 18.3702 k = 0.0000 0.0000 0.1320 ( 657 PWs) bands (ev): 8.3384 8.3384 11.7052 11.7052 15.3122 15.3122 15.3911 15.3911 15.4891 15.4891 15.8372 15.8372 15.9478 15.9478 16.3609 16.3609 17.0337 17.0337 17.0761 17.0761 18.3045 18.3045 18.3637 18.3637 k = 0.0000 0.0000 0.1393 ( 657 PWs) bands (ev): 8.3977 8.3977 11.6880 11.6880 15.2928 15.2928 15.3841 15.3841 15.4810 15.4810 15.8198 15.8198 15.9290 15.9290 16.2552 16.2552 17.0694 17.0694 17.1107 17.1107 18.2984 18.2984 18.3564 18.3564 k = 0.0000 0.0000 0.1467 ( 658 PWs) bands (ev): 8.4599 8.4599 11.6682 11.6682 15.2727 15.2727 15.3776 15.3776 15.4735 15.4735 15.8021 15.8021 15.9097 15.9097 16.1509 16.1509 17.1057 17.1057 17.1460 17.1460 18.2915 18.2915 18.3483 18.3483 k = 0.0000 0.0000 0.1540 ( 658 PWs) bands (ev): 8.5248 8.5248 11.6457 11.6457 15.2523 15.2523 15.3718 15.3718 15.4667 15.4667 15.7840 15.7840 15.8898 15.8898 16.0489 16.0489 17.1424 17.1424 17.1819 17.1819 18.2838 18.2838 18.3394 18.3394 k = 0.0000 0.0000 0.1614 ( 658 PWs) bands (ev): 8.5925 8.5925 11.6201 11.6201 15.2316 15.2316 15.3665 15.3665 15.4605 15.4605 15.7657 15.7657 15.8682 15.8682 15.9507 15.9507 17.1796 17.1796 17.2182 17.2182 18.2751 18.2751 18.3296 18.3296 k = 0.0000 0.0000 0.1687 ( 652 PWs) bands (ev): 8.6627 8.6627 11.5912 11.5912 15.2106 15.2106 15.3621 15.3621 15.4553 15.4553 15.7474 15.7474 15.8331 15.8331 15.8691 15.8691 17.2174 17.2174 17.2554 17.2554 18.2656 18.2656 18.3190 18.3190 k = 0.0000 0.0000 0.1760 ( 652 PWs) bands (ev): 8.7355 8.7355 11.5588 11.5588 15.1894 15.1894 15.3583 15.3583 15.4507 15.4507 15.7287 15.7287 15.7518 15.7518 15.8370 15.8370 17.2551 17.2551 17.2924 17.2924 18.2552 18.2552 18.3074 18.3074 k = 0.0000 0.0000 0.1834 ( 652 PWs) bands (ev): 8.8108 8.8108 11.5227 11.5227 15.1680 15.1680 15.3553 15.3553 15.4470 15.4470 15.6639 15.6639 15.7100 15.7100 15.8154 15.8154 17.2929 17.2929 17.3296 17.3296 18.2438 18.2438 18.2948 18.2948 k = 0.0000 0.0000 0.1907 ( 652 PWs) bands (ev): 8.8883 8.8883 11.4827 11.4827 15.1467 15.1467 15.3531 15.3531 15.4441 15.4441 15.5794 15.5794 15.6912 15.6912 15.7949 15.7949 17.3307 17.3307 17.3670 17.3670 18.2313 18.2313 18.2813 18.2813 k = 0.0000 0.0000 0.1980 ( 652 PWs) bands (ev): 8.9681 8.9681 11.4387 11.4387 15.1256 15.1256 15.3516 15.3516 15.4422 15.4422 15.4994 15.4994 15.6725 15.6725 15.7748 15.7748 17.3685 17.3685 17.4044 17.4044 18.2179 18.2179 18.2668 18.2668 k = 0.0000 0.0000 0.2054 ( 652 PWs) bands (ev): 9.0501 9.0501 11.3905 11.3905 15.1047 15.1047 15.3511 15.3511 15.4243 15.4243 15.4411 15.4411 15.6539 15.6539 15.7550 15.7550 17.4062 17.4062 17.4418 17.4418 18.2034 18.2034 18.2513 18.2513 k = 0.0000 0.0000 0.2127 ( 652 PWs) bands (ev): 9.1340 9.1340 11.3382 11.3382 15.0841 15.0841 15.3513 15.3513 15.3546 15.3546 15.4410 15.4410 15.6355 15.6355 15.7355 15.7355 17.4438 17.4438 17.4791 17.4791 18.1878 18.1878 18.2347 18.2347 k = 0.0000 0.0000 0.2200 ( 652 PWs) bands (ev): 9.2198 9.2198 11.2816 11.2816 15.0642 15.0642 15.2903 15.2903 15.3525 15.3525 15.4418 15.4418 15.6173 15.6173 15.7162 15.7162 17.4811 17.4811 17.5162 17.5162 18.1712 18.1712 18.2171 18.2171 k = 0.0000 0.0000 0.2274 ( 646 PWs) bands (ev): 9.3074 9.3074 11.2208 11.2208 15.0449 15.0449 15.2317 15.2317 15.3546 15.3546 15.4437 15.4437 15.5994 15.5994 15.6974 15.6974 17.5181 17.5181 17.5531 17.5531 18.1539 18.1539 18.1989 18.1989 k = 0.0000 0.0000 0.2347 ( 646 PWs) bands (ev): 9.3965 9.3965 11.1560 11.1560 15.0264 15.0264 15.1788 15.1788 15.3575 15.3575 15.4464 15.4464 15.5818 15.5818 15.6789 15.6789 17.5548 17.5548 17.5896 17.5896 18.1351 18.1351 18.1791 18.1791 k = 0.0000 0.0000 0.2420 ( 646 PWs) bands (ev): 9.4870 9.4870 11.0871 11.0871 15.0090 15.0090 15.1315 15.1315 15.3612 15.3612 15.4500 15.4500 15.5646 15.5646 15.6608 15.6608 17.5910 17.5910 17.6258 17.6258 18.1152 18.1152 18.1584 18.1584 k = 0.0000 0.0000 0.2494 ( 646 PWs) bands (ev): 9.5788 9.5788 11.0145 11.0145 14.9928 14.9928 15.0898 15.0898 15.3659 15.3659 15.4546 15.4546 15.5478 15.5478 15.6431 15.6431 17.6267 17.6267 17.6616 17.6616 18.0943 18.0943 18.1366 18.1366 k = 0.0000 0.0000 0.2567 ( 646 PWs) bands (ev): 9.6716 9.6716 10.9384 10.9384 14.9780 14.9780 15.0535 15.0535 15.3714 15.3714 15.4601 15.4601 15.5314 15.5314 15.6260 15.6260 17.6619 17.6619 17.6969 17.6969 18.0722 18.0722 18.1137 18.1137 k = 0.0000 0.0000 0.2640 ( 646 PWs) bands (ev): 9.7652 9.7652 10.8590 10.8590 14.9648 14.9648 15.0224 15.0224 15.3777 15.3777 15.4666 15.4666 15.5156 15.5156 15.6094 15.6094 17.6965 17.6965 17.7316 17.7316 18.0491 18.0491 18.0898 18.0898 k = 0.0000 0.0000 0.2714 ( 646 PWs) bands (ev): 9.8595 9.8595 10.7766 10.7766 14.9534 14.9534 14.9965 14.9965 15.3850 15.3850 15.4739 15.4739 15.5003 15.5003 15.5934 15.5934 17.7305 17.7305 17.7658 17.7658 18.0249 18.0249 18.0650 18.0650 k = 0.0000 0.0000 0.2787 ( 646 PWs) bands (ev): 9.9541 9.9541 10.6915 10.6915 14.9440 14.9440 14.9753 14.9753 15.3930 15.3930 15.4822 15.4822 15.4856 15.4856 15.5781 15.5781 17.7637 17.7637 17.7993 17.7993 17.9997 17.9997 18.0391 18.0391 k = 0.0000 0.0000 0.2860 ( 652 PWs) bands (ev): 10.0488 10.0488 10.6040 10.6040 14.9367 14.9367 14.9577 14.9577 15.4019 15.4019 15.4715 15.4715 15.4913 15.4913 15.5634 15.5634 17.7962 17.7962 17.8321 17.8321 17.9734 17.9734 18.0121 18.0121 k = 0.0000 0.0000 0.2934 ( 652 PWs) bands (ev): 10.1434 10.1434 10.5146 10.5146 14.9322 14.9322 14.9452 14.9452 15.4116 15.4116 15.4581 15.4581 15.5013 15.5013 15.5495 15.5495 17.8279 17.8279 17.8642 17.8642 17.9462 17.9462 17.9843 17.9843 k = 0.0000 0.0000 0.3007 ( 652 PWs) bands (ev): 10.2376 10.2376 10.4235 10.4235 14.9305 14.9305 14.9368 14.9368 15.4221 15.4221 15.4454 15.4454 15.5121 15.5121 15.5362 15.5362 17.8588 17.8588 17.8955 17.8955 17.9180 17.9180 17.9556 17.9556 k = 0.0000 0.0000 0.3080 ( 652 PWs) bands (ev): 10.3311 10.3311 10.3311 10.3311 14.9320 14.9320 14.9320 14.9320 15.4334 15.4334 15.4334 15.4334 15.5238 15.5238 15.5238 15.5238 17.8889 17.8889 17.8889 17.8889 17.9260 17.9260 17.9260 17.9260 k = 0.0000 0.0000 0.3080 ( 652 PWs) bands (ev): 10.3311 10.3311 10.3311 10.3311 14.9320 14.9320 14.9320 14.9320 15.4334 15.4334 15.4334 15.4334 15.5238 15.5238 15.5238 15.5238 17.8889 17.8889 17.8889 17.8889 17.9260 17.9260 17.9260 17.9260 k = 0.0064 0.0037 0.3080 ( 652 PWs) bands (ev): 10.3326 10.3326 10.3326 10.3326 14.9304 14.9304 14.9304 14.9304 15.4339 15.4339 15.4339 15.4339 15.5243 15.5243 15.5243 15.5243 17.8891 17.8891 17.8891 17.8891 17.9263 17.9263 17.9263 17.9263 k = 0.0128 0.0074 0.3080 ( 652 PWs) bands (ev): 10.3370 10.3370 10.3370 10.3370 14.9258 14.9258 14.9258 14.9258 15.4355 15.4355 15.4355 15.4355 15.5260 15.5260 15.5260 15.5260 17.8898 17.8898 17.8898 17.8898 17.9272 17.9272 17.9272 17.9272 k = 0.0192 0.0111 0.3080 ( 652 PWs) bands (ev): 10.3443 10.3443 10.3443 10.3443 14.9183 14.9183 14.9183 14.9183 15.4381 15.4381 15.4381 15.4381 15.5287 15.5287 15.5287 15.5287 17.8908 17.8908 17.8908 17.8908 17.9290 17.9290 17.9290 17.9290 k = 0.0256 0.0148 0.3080 ( 652 PWs) bands (ev): 10.3546 10.3546 10.3546 10.3546 14.9080 14.9080 14.9080 14.9080 15.4416 15.4416 15.4416 15.4416 15.5325 15.5325 15.5325 15.5325 17.8919 17.8919 17.8919 17.8919 17.9318 17.9318 17.9318 17.9318 k = 0.0321 0.0185 0.3080 ( 652 PWs) bands (ev): 10.3678 10.3678 10.3678 10.3678 14.8951 14.8951 14.8951 14.8951 15.4456 15.4456 15.4456 15.4456 15.5375 15.5375 15.5375 15.5375 17.8927 17.8927 17.8927 17.8927 17.9360 17.9360 17.9360 17.9360 k = 0.0385 0.0222 0.3080 ( 652 PWs) bands (ev): 10.3838 10.3838 10.3838 10.3838 14.8797 14.8797 14.8797 14.8797 15.4500 15.4500 15.4500 15.4500 15.5437 15.5437 15.5437 15.5437 17.8932 17.8932 17.8932 17.8932 17.9417 17.9417 17.9417 17.9417 k = 0.0449 0.0259 0.3080 ( 652 PWs) bands (ev): 10.4027 10.4027 10.4027 10.4027 14.8622 14.8622 14.8622 14.8622 15.4544 15.4544 15.4544 15.4544 15.5514 15.5514 15.5514 15.5514 17.8931 17.8931 17.8931 17.8931 17.9490 17.9490 17.9490 17.9490 k = 0.0513 0.0296 0.3080 ( 652 PWs) bands (ev): 10.4244 10.4244 10.4244 10.4244 14.8427 14.8427 14.8427 14.8427 15.4585 15.4585 15.4585 15.4585 15.5606 15.5606 15.5606 15.5606 17.8925 17.8925 17.8925 17.8925 17.9580 17.9580 17.9580 17.9580 k = 0.0577 0.0333 0.3080 ( 652 PWs) bands (ev): 10.4488 10.4488 10.4488 10.4488 14.8216 14.8216 14.8216 14.8216 15.4619 15.4619 15.4619 15.4619 15.5715 15.5715 15.5715 15.5715 17.8914 17.8914 17.8914 17.8914 17.9686 17.9686 17.9686 17.9686 k = 0.0641 0.0370 0.3080 ( 652 PWs) bands (ev): 10.4760 10.4760 10.4760 10.4760 14.7989 14.7989 14.7989 14.7989 15.4644 15.4644 15.4644 15.4644 15.5843 15.5843 15.5843 15.5843 17.8899 17.8899 17.8899 17.8899 17.9807 17.9807 17.9807 17.9807 k = 0.0705 0.0407 0.3080 ( 650 PWs) bands (ev): 10.5058 10.5058 10.5058 10.5058 14.7750 14.7750 14.7750 14.7750 15.4659 15.4659 15.4659 15.4659 15.5990 15.5990 15.5990 15.5990 17.8880 17.8880 17.8880 17.8880 17.9944 17.9944 17.9944 17.9944 k = 0.0769 0.0444 0.3080 ( 654 PWs) bands (ev): 10.5381 10.5381 10.5381 10.5381 14.7498 14.7498 14.7498 14.7498 15.4657 15.4657 15.4657 15.4657 15.6155 15.6155 15.6155 15.6155 17.8858 17.8858 17.8858 17.8858 18.0092 18.0092 18.0092 18.0092 k = 0.0833 0.0481 0.3080 ( 652 PWs) bands (ev): 10.5730 10.5730 10.5730 10.5730 14.7240 14.7240 14.7240 14.7240 15.4645 15.4645 15.4645 15.4645 15.6340 15.6340 15.6340 15.6340 17.8835 17.8835 17.8835 17.8835 18.0256 18.0256 18.0256 18.0256 k = 0.0897 0.0518 0.3080 ( 652 PWs) bands (ev): 10.6102 10.6102 10.6102 10.6102 14.6974 14.6974 14.6974 14.6974 15.4620 15.4620 15.4620 15.4620 15.6543 15.6543 15.6543 15.6543 17.8809 17.8809 17.8809 17.8809 18.0432 18.0432 18.0432 18.0432 k = 0.0962 0.0555 0.3080 ( 652 PWs) bands (ev): 10.6498 10.6498 10.6498 10.6498 14.6702 14.6702 14.6702 14.6702 15.4582 15.4582 15.4582 15.4582 15.6763 15.6763 15.6763 15.6763 17.8782 17.8782 17.8782 17.8782 18.0621 18.0621 18.0621 18.0621 k = 0.1026 0.0592 0.3080 ( 652 PWs) bands (ev): 10.6916 10.6916 10.6916 10.6916 14.6427 14.6427 14.6427 14.6427 15.4534 15.4534 15.4534 15.4534 15.6999 15.6999 15.6999 15.6999 17.8753 17.8753 17.8753 17.8753 18.0821 18.0821 18.0821 18.0821 k = 0.1090 0.0629 0.3080 ( 652 PWs) bands (ev): 10.7355 10.7355 10.7355 10.7355 14.6149 14.6149 14.6149 14.6149 15.4473 15.4473 15.4473 15.4473 15.7250 15.7250 15.7250 15.7250 17.8724 17.8724 17.8724 17.8724 18.1033 18.1033 18.1033 18.1033 k = 0.1154 0.0666 0.3080 ( 652 PWs) bands (ev): 10.7813 10.7813 10.7813 10.7813 14.5869 14.5869 14.5869 14.5869 15.4401 15.4401 15.4401 15.4401 15.7516 15.7516 15.7516 15.7516 17.8695 17.8695 17.8695 17.8695 18.1255 18.1255 18.1255 18.1255 k = 0.1218 0.0703 0.3080 ( 652 PWs) bands (ev): 10.8290 10.8290 10.8290 10.8290 14.5591 14.5591 14.5591 14.5591 15.4321 15.4321 15.4321 15.4321 15.7795 15.7795 15.7795 15.7795 17.8667 17.8667 17.8667 17.8667 18.1488 18.1488 18.1488 18.1488 k = 0.1282 0.0740 0.3080 ( 652 PWs) bands (ev): 10.8784 10.8784 10.8784 10.8784 14.5314 14.5314 14.5314 14.5314 15.4232 15.4232 15.4232 15.4232 15.8087 15.8087 15.8087 15.8087 17.8638 17.8638 17.8638 17.8638 18.1731 18.1731 18.1731 18.1731 k = 0.1346 0.0777 0.3080 ( 644 PWs) bands (ev): 10.9293 10.9293 10.9293 10.9293 14.5041 14.5041 14.5041 14.5041 15.4138 15.4138 15.4138 15.4138 15.8396 15.8396 15.8396 15.8396 17.8613 17.8613 17.8613 17.8613 18.1984 18.1984 18.1984 18.1984 k = 0.1410 0.0814 0.3080 ( 642 PWs) bands (ev): 10.9815 10.9815 10.9815 10.9815 14.4772 14.4772 14.4772 14.4772 15.4041 15.4041 15.4041 15.4041 15.8710 15.8710 15.8710 15.8710 17.8588 17.8588 17.8588 17.8588 18.2245 18.2245 18.2245 18.2245 k = 0.1474 0.0851 0.3080 ( 638 PWs) bands (ev): 11.0349 11.0349 11.0349 11.0349 14.4510 14.4510 14.4510 14.4510 15.3939 15.3939 15.3939 15.3939 15.9034 15.9034 15.9034 15.9034 17.8566 17.8566 17.8566 17.8566 18.2515 18.2515 18.2515 18.2515 k = 0.1538 0.0888 0.3080 ( 642 PWs) bands (ev): 11.0892 11.0892 11.0892 11.0892 14.4252 14.4252 14.4252 14.4252 15.3835 15.3835 15.3835 15.3835 15.9366 15.9366 15.9366 15.9366 17.8543 17.8543 17.8543 17.8543 18.2791 18.2791 18.2791 18.2791 k = 0.1603 0.0925 0.3080 ( 646 PWs) bands (ev): 11.1442 11.1442 11.1442 11.1442 14.4000 14.4000 14.4000 14.4000 15.3733 15.3733 15.3733 15.3733 15.9704 15.9704 15.9704 15.9704 17.8526 17.8526 17.8526 17.8526 18.3075 18.3075 18.3075 18.3075 k = 0.1667 0.0962 0.3080 ( 646 PWs) bands (ev): 11.1997 11.1997 11.1997 11.1997 14.3757 14.3757 14.3757 14.3757 15.3634 15.3634 15.3634 15.3634 16.0051 16.0051 16.0051 16.0051 17.8513 17.8513 17.8513 17.8513 18.3365 18.3365 18.3365 18.3365 k = 0.1731 0.0999 0.3080 ( 646 PWs) bands (ev): 11.2553 11.2553 11.2553 11.2553 14.3524 14.3524 14.3524 14.3524 15.3541 15.3541 15.3541 15.3541 16.0405 16.0405 16.0405 16.0405 17.8505 17.8505 17.8505 17.8505 18.3661 18.3661 18.3661 18.3661 k = 0.1795 0.1036 0.3080 ( 646 PWs) bands (ev): 11.3110 11.3110 11.3110 11.3110 14.3300 14.3300 14.3300 14.3300 15.3458 15.3458 15.3458 15.3458 16.0763 16.0763 16.0763 16.0763 17.8502 17.8502 17.8502 17.8502 18.3963 18.3963 18.3963 18.3963 k = 0.1859 0.1073 0.3080 ( 646 PWs) bands (ev): 11.3663 11.3663 11.3663 11.3663 14.3086 14.3086 14.3086 14.3086 15.3386 15.3386 15.3386 15.3386 16.1124 16.1124 16.1124 16.1124 17.8505 17.8505 17.8505 17.8505 18.4270 18.4270 18.4270 18.4270 k = 0.1923 0.1110 0.3080 ( 646 PWs) bands (ev): 11.4209 11.4209 11.4209 11.4209 14.2883 14.2883 14.2883 14.2883 15.3330 15.3330 15.3330 15.3330 16.1488 16.1488 16.1488 16.1488 17.8515 17.8515 17.8515 17.8515 18.4582 18.4582 18.4582 18.4582 k = 0.1987 0.1147 0.3080 ( 646 PWs) bands (ev): 11.4746 11.4746 11.4746 11.4746 14.2691 14.2691 14.2691 14.2691 15.3292 15.3292 15.3292 15.3292 16.1853 16.1853 16.1853 16.1853 17.8532 17.8532 17.8532 17.8532 18.4899 18.4899 18.4899 18.4899 k = 0.2051 0.1184 0.3080 ( 646 PWs) bands (ev): 11.5270 11.5270 11.5270 11.5270 14.2510 14.2510 14.2510 14.2510 15.3277 15.3277 15.3277 15.3277 16.2218 16.2218 16.2218 16.2218 17.8559 17.8559 17.8559 17.8559 18.5219 18.5219 18.5219 18.5219 k = 0.2115 0.1221 0.3080 ( 646 PWs) bands (ev): 11.5779 11.5779 11.5779 11.5779 14.2338 14.2338 14.2338 14.2338 15.3287 15.3287 15.3287 15.3287 16.2580 16.2580 16.2580 16.2580 17.8594 17.8594 17.8594 17.8594 18.5544 18.5544 18.5544 18.5544 k = 0.2179 0.1258 0.3080 ( 646 PWs) bands (ev): 11.6270 11.6270 11.6270 11.6270 14.2176 14.2176 14.2176 14.2176 15.3329 15.3329 15.3329 15.3329 16.2940 16.2940 16.2940 16.2940 17.8640 17.8640 17.8640 17.8640 18.5872 18.5872 18.5872 18.5872 k = 0.2244 0.1295 0.3080 ( 646 PWs) bands (ev): 11.6738 11.6738 11.6738 11.6738 14.2023 14.2023 14.2023 14.2023 15.3404 15.3404 15.3404 15.3404 16.3294 16.3294 16.3294 16.3294 17.8697 17.8697 17.8697 17.8697 18.6203 18.6203 18.6203 18.6203 k = 0.2308 0.1332 0.3080 ( 646 PWs) bands (ev): 11.7183 11.7183 11.7183 11.7183 14.1877 14.1877 14.1877 14.1877 15.3517 15.3517 15.3517 15.3517 16.3643 16.3643 16.3643 16.3643 17.8767 17.8767 17.8767 17.8767 18.6537 18.6537 18.6537 18.6537 k = 0.2372 0.1369 0.3080 ( 650 PWs) bands (ev): 11.7600 11.7600 11.7600 11.7600 14.1737 14.1737 14.1737 14.1737 15.3672 15.3672 15.3672 15.3672 16.3984 16.3984 16.3984 16.3984 17.8849 17.8849 17.8849 17.8849 18.6873 18.6873 18.6873 18.6873 k = 0.2436 0.1406 0.3080 ( 650 PWs) bands (ev): 11.7990 11.7990 11.7990 11.7990 14.1601 14.1601 14.1601 14.1601 15.3873 15.3873 15.3873 15.3873 16.4316 16.4316 16.4316 16.4316 17.8945 17.8945 17.8945 17.8945 18.7213 18.7213 18.7213 18.7213 k = 0.2500 0.1443 0.3080 ( 654 PWs) bands (ev): 11.8348 11.8348 11.8348 11.8348 14.1468 14.1468 14.1468 14.1468 15.4122 15.4122 15.4122 15.4122 16.4637 16.4637 16.4637 16.4637 17.9055 17.9055 17.9055 17.9055 18.7556 18.7556 18.7556 18.7556 k = 0.2564 0.1480 0.3080 ( 654 PWs) bands (ev): 11.8676 11.8676 11.8676 11.8676 14.1336 14.1336 14.1336 14.1336 15.4423 15.4423 15.4423 15.4423 16.4947 16.4947 16.4947 16.4947 17.9181 17.9181 17.9181 17.9181 18.7903 18.7903 18.7903 18.7903 k = 0.2628 0.1517 0.3080 ( 650 PWs) bands (ev): 11.8971 11.8971 11.8971 11.8971 14.1206 14.1206 14.1206 14.1206 15.4778 15.4778 15.4778 15.4778 16.5245 16.5245 16.5245 16.5245 17.9325 17.9325 17.9325 17.9325 18.8253 18.8253 18.8253 18.8253 k = 0.2692 0.1554 0.3080 ( 648 PWs) bands (ev): 11.9234 11.9234 11.9234 11.9234 14.1074 14.1074 14.1074 14.1074 15.5186 15.5186 15.5186 15.5186 16.5528 16.5528 16.5528 16.5528 17.9483 17.9483 17.9483 17.9483 18.8606 18.8606 18.8606 18.8606 k = 0.2756 0.1591 0.3080 ( 644 PWs) bands (ev): 11.9465 11.9465 11.9465 11.9465 14.0939 14.0939 14.0939 14.0939 15.5649 15.5649 15.5649 15.5649 16.5798 16.5798 16.5798 16.5798 17.9659 17.9659 17.9659 17.9659 18.8964 18.8964 18.8964 18.8964 k = 0.2821 0.1628 0.3080 ( 644 PWs) bands (ev): 11.9663 11.9663 11.9663 11.9663 14.0799 14.0799 14.0799 14.0799 15.6164 15.6164 15.6164 15.6164 16.6050 16.6050 16.6050 16.6050 17.9850 17.9850 17.9850 17.9850 18.9324 18.9324 18.9324 18.9324 k = 0.2885 0.1665 0.3080 ( 648 PWs) bands (ev): 11.9831 11.9831 11.9831 11.9831 14.0656 14.0656 14.0656 14.0656 15.6730 15.6730 15.6730 15.6730 16.6285 16.6285 16.6285 16.6285 18.0056 18.0056 18.0056 18.0056 18.9688 18.9688 18.9688 18.9688 k = 0.2949 0.1702 0.3080 ( 648 PWs) bands (ev): 11.9970 11.9970 11.9970 11.9970 14.0509 14.0509 14.0509 14.0509 15.7346 15.7346 15.7346 15.7346 16.6505 16.6505 16.6505 16.6505 18.0279 18.0279 18.0279 18.0279 19.0058 19.0058 19.0058 19.0058 k = 0.3013 0.1739 0.3080 ( 642 PWs) bands (ev): 12.0082 12.0082 12.0082 12.0082 14.0360 14.0360 14.0360 14.0360 15.8008 15.8008 15.8008 15.8008 16.6713 16.6713 16.6713 16.6713 18.0518 18.0518 18.0518 18.0518 19.0433 19.0433 19.0433 19.0433 k = 0.3077 0.1776 0.3080 ( 642 PWs) bands (ev): 12.0168 12.0168 12.0168 12.0168 14.0205 14.0205 14.0205 14.0205 15.8713 15.8713 15.8713 15.8713 16.6900 16.6900 16.6900 16.6900 18.0771 18.0771 18.0771 18.0771 19.0813 19.0813 19.0813 19.0813 k = 0.3141 0.1813 0.3080 ( 642 PWs) bands (ev): 12.0229 12.0229 12.0229 12.0229 14.0048 14.0048 14.0048 14.0048 15.9455 15.9455 15.9455 15.9455 16.7071 16.7071 16.7071 16.7071 18.1036 18.1036 18.1036 18.1036 19.1200 19.1200 19.1200 19.1200 k = 0.3205 0.1850 0.3080 ( 642 PWs) bands (ev): 12.0269 12.0269 12.0269 12.0269 13.9888 13.9888 13.9888 13.9888 16.0230 16.0230 16.0230 16.0230 16.7227 16.7227 16.7227 16.7227 18.1314 18.1314 18.1314 18.1314 19.1593 19.1593 19.1593 19.1593 k = 0.3269 0.1887 0.3080 ( 646 PWs) bands (ev): 12.0289 12.0289 12.0289 12.0289 13.9726 13.9726 13.9726 13.9726 16.1032 16.1032 16.1032 16.1032 16.7367 16.7367 16.7367 16.7367 18.1601 18.1601 18.1601 18.1601 19.1993 19.1993 19.1993 19.1993 k = 0.3333 0.1925 0.3080 ( 642 PWs) bands (ev): 12.0292 12.0292 12.0292 12.0292 13.9564 13.9564 13.9564 13.9564 16.1860 16.1860 16.1860 16.1860 16.7495 16.7495 16.7495 16.7495 18.1898 18.1898 18.1898 18.1898 19.2404 19.2404 19.2404 19.2404 k = 0.3397 0.1962 0.3080 ( 642 PWs) bands (ev): 12.0280 12.0280 12.0280 12.0280 13.9402 13.9402 13.9402 13.9402 16.2703 16.2703 16.2703 16.2703 16.7609 16.7609 16.7609 16.7609 18.2202 18.2202 18.2202 18.2202 19.2823 19.2823 19.2823 19.2823 k = 0.3462 0.1999 0.3080 ( 646 PWs) bands (ev): 12.0253 12.0253 12.0253 12.0253 13.9239 13.9239 13.9239 13.9239 16.3558 16.3558 16.3558 16.3558 16.7711 16.7711 16.7711 16.7711 18.2509 18.2509 18.2509 18.2509 19.3251 19.3251 19.3251 19.3251 k = 0.3526 0.2036 0.3080 ( 646 PWs) bands (ev): 12.0215 12.0215 12.0215 12.0215 13.9078 13.9078 13.9078 13.9078 16.4418 16.4418 16.4418 16.4418 16.7803 16.7803 16.7803 16.7803 18.2821 18.2821 18.2821 18.2821 19.3691 19.3691 19.3691 19.3691 k = 0.3590 0.2073 0.3080 ( 642 PWs) bands (ev): 12.0169 12.0169 12.0169 12.0169 13.8919 13.8919 13.8919 13.8919 16.5276 16.5276 16.5276 16.5276 16.7889 16.7889 16.7889 16.7889 18.3137 18.3137 18.3137 18.3137 19.4142 19.4142 19.4142 19.4142 k = 0.3654 0.2110 0.3080 ( 642 PWs) bands (ev): 12.0114 12.0114 12.0114 12.0114 13.8763 13.8763 13.8763 13.8763 16.6123 16.6123 16.6123 16.6123 16.7972 16.7972 16.7972 16.7972 18.3452 18.3452 18.3452 18.3452 19.4604 19.4604 19.4604 19.4604 k = 0.3718 0.2147 0.3080 ( 642 PWs) bands (ev): 12.0052 12.0052 12.0052 12.0052 13.8610 13.8610 13.8610 13.8610 16.6936 16.6936 16.6936 16.6936 16.8070 16.8070 16.8070 16.8070 18.3765 18.3765 18.3765 18.3765 19.5078 19.5078 19.5078 19.5078 k = 0.3782 0.2184 0.3080 ( 644 PWs) bands (ev): 11.9986 11.9986 11.9986 11.9986 13.8461 13.8461 13.8461 13.8461 16.7622 16.7622 16.7622 16.7622 16.8272 16.8272 16.8272 16.8272 18.4072 18.4072 18.4072 18.4072 19.5564 19.5564 19.5564 19.5564 k = 0.3846 0.2221 0.3080 ( 644 PWs) bands (ev): 11.9916 11.9916 11.9916 11.9916 13.8317 13.8317 13.8317 13.8317 16.7933 16.7933 16.7933 16.7933 16.8821 16.8821 16.8821 16.8821 18.4376 18.4376 18.4376 18.4376 19.6060 19.6060 19.6060 19.6060 k = 0.3910 0.2258 0.3080 ( 644 PWs) bands (ev): 11.9842 11.9842 11.9842 11.9842 13.8178 13.8178 13.8178 13.8178 16.8032 16.8032 16.8032 16.8032 16.9553 16.9553 16.9553 16.9553 18.4674 18.4674 18.4674 18.4674 19.6567 19.6567 19.6567 19.6567 k = 0.3974 0.2295 0.3080 ( 644 PWs) bands (ev): 11.9768 11.9768 11.9768 11.9768 13.8045 13.8045 13.8045 13.8045 16.8084 16.8084 16.8084 16.8084 17.0295 17.0295 17.0295 17.0295 18.4963 18.4963 18.4963 18.4963 19.7082 19.7082 19.7082 19.7082 k = 0.4038 0.2332 0.3080 ( 648 PWs) bands (ev): 11.9692 11.9692 11.9692 11.9692 13.7918 13.7918 13.7918 13.7918 16.8120 16.8120 16.8120 16.8120 17.1016 17.1016 17.1016 17.1016 18.5242 18.5242 18.5242 18.5242 19.7604 19.7604 19.7604 19.7604 k = 0.4103 0.2369 0.3080 ( 648 PWs) bands (ev): 11.9618 11.9618 11.9618 11.9618 13.7797 13.7797 13.7797 13.7797 16.8147 16.8147 16.8147 16.8147 17.1705 17.1705 17.1705 17.1705 18.5511 18.5511 18.5511 18.5511 19.8131 19.8131 19.8131 19.8131 k = 0.4167 0.2406 0.3080 ( 648 PWs) bands (ev): 11.9546 11.9546 11.9546 11.9546 13.7683 13.7683 13.7683 13.7683 16.8168 16.8168 16.8168 16.8168 17.2356 17.2356 17.2356 17.2356 18.5766 18.5766 18.5766 18.5766 19.8658 19.8658 19.8658 19.8658 k = 0.4231 0.2443 0.3080 ( 648 PWs) bands (ev): 11.9476 11.9476 11.9476 11.9476 13.7577 13.7577 13.7577 13.7577 16.8184 16.8184 16.8184 16.8184 17.2966 17.2966 17.2966 17.2966 18.6008 18.6008 18.6008 18.6008 19.9182 19.9182 19.9182 19.9182 k = 0.4295 0.2480 0.3080 ( 648 PWs) bands (ev): 11.9409 11.9409 11.9409 11.9409 13.7478 13.7478 13.7478 13.7478 16.8197 16.8197 16.8197 16.8197 17.3532 17.3532 17.3532 17.3532 18.6235 18.6235 18.6235 18.6235 19.9698 19.9698 19.9698 19.9698 k = 0.4359 0.2517 0.3080 ( 648 PWs) bands (ev): 11.9346 11.9346 11.9346 11.9346 13.7386 13.7386 13.7386 13.7386 16.8207 16.8207 16.8207 16.8207 17.4051 17.4051 17.4051 17.4051 18.6446 18.6446 18.6446 18.6446 20.0201 20.0201 20.0201 20.0201 k = 0.4423 0.2554 0.3080 ( 644 PWs) bands (ev): 11.9288 11.9288 11.9288 11.9288 13.7303 13.7303 13.7303 13.7303 16.8215 16.8215 16.8215 16.8215 17.4524 17.4524 17.4524 17.4524 18.6642 18.6642 18.6642 18.6642 20.0684 20.0684 20.0684 20.0684 k = 0.4487 0.2591 0.3080 ( 644 PWs) bands (ev): 11.9235 11.9235 11.9235 11.9235 13.7228 13.7228 13.7228 13.7228 16.8221 16.8221 16.8221 16.8221 17.4947 17.4947 17.4947 17.4947 18.6818 18.6818 18.6818 18.6818 20.1141 20.1141 20.1141 20.1141 k = 0.4551 0.2628 0.3080 ( 644 PWs) bands (ev): 11.9186 11.9186 11.9186 11.9186 13.7162 13.7162 13.7162 13.7162 16.8225 16.8225 16.8225 16.8225 17.5320 17.5320 17.5320 17.5320 18.6975 18.6975 18.6975 18.6975 20.1566 20.1566 20.1566 20.1566 k = 0.4615 0.2665 0.3080 ( 648 PWs) bands (ev): 11.9142 11.9142 11.9142 11.9142 13.7103 13.7103 13.7103 13.7103 16.8228 16.8228 16.8228 16.8228 17.5643 17.5643 17.5643 17.5643 18.7112 18.7112 18.7112 18.7112 20.1950 20.1950 20.1950 20.1950 k = 0.4679 0.2702 0.3080 ( 644 PWs) bands (ev): 11.9106 11.9106 11.9106 11.9106 13.7055 13.7055 13.7055 13.7055 16.8232 16.8232 16.8232 16.8232 17.5917 17.5917 17.5917 17.5917 18.7230 18.7230 18.7230 18.7230 20.2289 20.2289 20.2289 20.2289 k = 0.4744 0.2739 0.3080 ( 640 PWs) bands (ev): 11.9079 11.9079 11.9079 11.9079 13.7014 13.7014 13.7014 13.7014 16.8234 16.8234 16.8234 16.8234 17.6142 17.6142 17.6142 17.6142 18.7327 18.7327 18.7327 18.7327 20.2577 20.2577 20.2577 20.2577 k = 0.4808 0.2776 0.3080 ( 644 PWs) bands (ev): 11.9053 11.9053 11.9053 11.9053 13.6983 13.6983 13.6983 13.6983 16.8234 16.8234 16.8234 16.8234 17.6315 17.6315 17.6315 17.6315 18.7401 18.7401 18.7401 18.7401 20.2806 20.2806 20.2806 20.2806 k = 0.4872 0.2813 0.3080 ( 644 PWs) bands (ev): 11.9035 11.9035 11.9035 11.9035 13.6960 13.6960 13.6960 13.6960 16.8235 16.8235 16.8235 16.8235 17.6439 17.6439 17.6439 17.6439 18.7456 18.7456 18.7456 18.7456 20.2973 20.2973 20.2973 20.2973 k = 0.4936 0.2850 0.3080 ( 644 PWs) bands (ev): 11.9025 11.9025 11.9025 11.9025 13.6946 13.6946 13.6946 13.6946 16.8235 16.8235 16.8235 16.8235 17.6514 17.6514 17.6514 17.6514 18.7489 18.7489 18.7489 18.7489 20.3075 20.3075 20.3075 20.3075 k = 0.5000 0.2887 0.3080 ( 644 PWs) bands (ev): 11.9022 11.9022 11.9022 11.9022 13.6942 13.6942 13.6942 13.6942 16.8236 16.8236 16.8236 16.8236 17.6538 17.6538 17.6538 17.6538 18.7499 18.7499 18.7499 18.7499 20.3109 20.3109 20.3109 20.3109 k = 0.5000 0.2887 0.3080 ( 644 PWs) bands (ev): 11.9022 11.9022 11.9022 11.9022 13.6942 13.6942 13.6942 13.6942 16.8236 16.8236 16.8236 16.8236 17.6538 17.6538 17.6538 17.6538 18.7499 18.7499 18.7499 18.7499 20.3109 20.3109 20.3109 20.3109 k = 0.4963 0.2951 0.3080 ( 644 PWs) bands (ev): 11.9033 11.9033 11.9035 11.9035 13.6947 13.6947 13.6951 13.6951 16.8188 16.8188 16.8201 16.8201 17.6510 17.6510 17.6555 17.6555 18.7434 18.7434 18.7513 18.7513 20.3167 20.3167 20.3202 20.3202 k = 0.4926 0.3015 0.3080 ( 644 PWs) bands (ev): 11.9068 11.9068 11.9073 11.9073 13.6968 13.6968 13.6976 13.6976 16.8061 16.8061 16.8084 16.8084 17.6470 17.6470 17.6557 17.6557 18.7321 18.7321 18.7474 18.7474 20.3375 20.3375 20.3441 20.3441 k = 0.4889 0.3079 0.3080 ( 644 PWs) bands (ev): 11.9128 11.9128 11.9135 11.9135 13.7004 13.7004 13.7016 13.7016 16.7856 16.7856 16.7888 16.7888 17.6418 17.6418 17.6542 17.6542 18.7168 18.7168 18.7388 18.7388 20.3725 20.3725 20.3818 20.3818 k = 0.4852 0.3143 0.3080 ( 644 PWs) bands (ev): 11.9212 11.9212 11.9222 11.9222 13.7055 13.7055 13.7071 13.7071 16.7578 16.7578 16.7616 16.7616 17.6352 17.6352 17.6504 17.6504 18.6988 18.6988 18.7264 18.7264 20.4208 20.4208 20.4324 20.4324 k = 0.4815 0.3208 0.3080 ( 648 PWs) bands (ev): 11.9319 11.9319 11.9332 11.9332 13.7120 13.7120 13.7140 13.7140 16.7231 16.7231 16.7271 16.7271 17.6268 17.6268 17.6439 17.6439 18.6791 18.6791 18.7112 18.7112 20.4812 20.4812 20.4944 20.4944 k = 0.4778 0.3272 0.3080 ( 648 PWs) bands (ev): 11.9450 11.9450 11.9466 11.9466 13.7200 13.7200 13.7225 13.7225 16.6822 16.6822 16.6862 16.6862 17.6166 17.6166 17.6346 17.6346 18.6589 18.6589 18.6942 18.6942 20.5524 20.5524 20.5667 20.5667 k = 0.4741 0.3336 0.3080 ( 644 PWs) bands (ev): 11.9608 11.9608 11.9626 11.9626 13.7295 13.7295 13.7325 13.7325 16.6358 16.6358 16.6394 16.6394 17.6042 17.6042 17.6219 17.6219 18.6394 18.6394 18.6766 18.6766 20.6332 20.6332 20.6481 20.6481 k = 0.4704 0.3400 0.3080 ( 644 PWs) bands (ev): 11.9786 11.9786 11.9807 11.9807 13.7404 13.7404 13.7438 13.7438 16.5842 16.5842 16.5872 16.5872 17.5892 17.5892 17.6056 17.6056 18.6210 18.6210 18.6590 18.6590 20.7222 20.7222 20.7374 20.7374 k = 0.4667 0.3464 0.3080 ( 644 PWs) bands (ev): 11.9987 11.9987 12.0010 12.0010 13.7527 13.7527 13.7565 13.7565 16.5282 16.5282 16.5303 16.5303 17.5717 17.5717 17.5858 17.5858 18.6045 18.6045 18.6421 18.6421 20.8186 20.8186 20.8337 20.8337 k = 0.4630 0.3528 0.3080 ( 644 PWs) bands (ev): 12.0210 12.0210 12.0236 12.0236 13.7663 13.7663 13.7706 13.7706 16.4681 16.4681 16.4694 16.4694 17.5514 17.5514 17.5625 17.5625 18.5900 18.5900 18.6264 18.6264 20.9215 20.9215 20.9361 20.9361 k = 0.4593 0.3592 0.3080 ( 648 PWs) bands (ev): 12.0455 12.0455 12.0483 12.0483 13.7812 13.7812 13.7860 13.7860 16.4045 16.4045 16.4047 16.4047 17.5284 17.5284 17.5358 17.5358 18.5777 18.5777 18.6121 18.6121 21.0299 21.0299 21.0439 21.0439 k = 0.4556 0.3657 0.3080 ( 648 PWs) bands (ev): 12.0721 12.0721 12.0752 12.0752 13.7973 13.7973 13.8026 13.8026 16.3372 16.3372 16.3381 16.3381 17.5029 17.5029 17.5061 17.5061 18.5676 18.5676 18.5994 18.5994 21.1433 21.1433 21.1566 21.1566 k = 0.4519 0.3721 0.3080 ( 652 PWs) bands (ev): 12.1007 12.1007 12.1041 12.1041 13.8145 13.8145 13.8204 13.8204 16.2670 16.2670 16.2689 16.2689 17.4737 17.4737 17.4750 17.4750 18.5593 18.5593 18.5883 18.5883 21.2612 21.2612 21.2737 21.2737 k = 0.4481 0.3785 0.3080 ( 652 PWs) bands (ev): 12.1314 12.1314 12.1350 12.1350 13.8329 13.8329 13.8393 13.8393 16.1948 16.1948 16.1979 16.1979 17.4391 17.4391 17.4451 17.4451 18.5528 18.5528 18.5786 18.5786 21.3831 21.3831 21.3946 21.3946 k = 0.4444 0.3849 0.3080 ( 652 PWs) bands (ev): 12.1640 12.1640 12.1679 12.1679 13.8522 13.8522 13.8592 13.8592 16.1211 16.1211 16.1252 16.1252 17.4026 17.4026 17.4133 17.4133 18.5478 18.5478 18.5703 18.5703 21.5084 21.5084 21.5190 21.5190 k = 0.4407 0.3913 0.3080 ( 652 PWs) bands (ev): 12.1985 12.1985 12.2026 12.2026 13.8725 13.8725 13.8801 13.8801 16.0461 16.0461 16.0512 16.0512 17.3644 17.3644 17.3799 17.3799 18.5439 18.5439 18.5632 18.5632 21.6370 21.6370 21.6466 21.6466 k = 0.4370 0.3977 0.3080 ( 652 PWs) bands (ev): 12.2348 12.2348 12.2391 12.2391 13.8935 13.8935 13.9017 13.9017 15.9703 15.9703 15.9764 15.9764 17.3251 17.3251 17.3452 17.3452 18.5409 18.5409 18.5570 18.5570 21.7685 21.7685 21.7771 21.7771 k = 0.4333 0.4041 0.3080 ( 652 PWs) bands (ev): 12.2727 12.2727 12.2772 12.2772 13.9152 13.9152 13.9240 13.9240 15.8940 15.8940 15.9011 15.9011 17.2849 17.2849 17.3095 17.3095 18.5386 18.5386 18.5516 18.5516 21.9027 21.9027 21.9101 21.9101 k = 0.4296 0.4106 0.3080 ( 652 PWs) bands (ev): 12.3123 12.3123 12.3170 12.3170 13.9373 13.9373 13.9467 13.9467 15.8176 15.8176 15.8256 15.8256 17.2441 17.2441 17.2730 17.2730 18.5366 18.5366 18.5467 18.5467 22.0392 22.0392 22.0456 22.0456 k = 0.4259 0.4170 0.3080 ( 652 PWs) bands (ev): 12.3534 12.3534 12.3584 12.3584 13.9597 13.9597 13.9698 13.9698 15.7414 15.7414 15.7503 15.7503 17.2029 17.2029 17.2360 17.2360 18.5350 18.5350 18.5422 18.5422 22.1780 22.1780 22.1833 22.1833 k = 0.4222 0.4234 0.3080 ( 656 PWs) bands (ev): 12.3957 12.3957 12.4009 12.4009 13.9820 13.9820 13.9928 13.9928 15.6657 15.6657 15.6756 15.6756 17.1617 17.1617 17.1988 17.1988 18.5333 18.5333 18.5380 18.5380 22.3187 22.3187 22.3229 22.3229 k = 0.4185 0.4298 0.3080 ( 656 PWs) bands (ev): 12.4396 12.4396 12.4450 12.4450 14.0042 14.0042 14.0157 14.0157 15.5911 15.5911 15.6019 15.6019 17.1206 17.1206 17.1616 17.1616 18.5317 18.5317 18.5339 18.5339 22.4613 22.4613 22.4644 22.4644 k = 0.4148 0.4362 0.3080 ( 652 PWs) bands (ev): 12.4848 12.4848 12.4904 12.4904 14.0260 14.0260 14.0380 14.0380 15.5179 15.5179 15.5296 15.5296 17.0801 17.0801 17.1247 17.1247 18.5299 18.5299 18.5299 18.5299 22.6056 22.6056 22.6076 22.6076 k = 0.4111 0.4426 0.3080 ( 648 PWs) bands (ev): 12.5312 12.5312 12.5370 12.5370 14.0468 14.0468 14.0594 14.0594 15.4465 15.4465 15.4592 15.4592 17.0400 17.0400 17.0882 17.0882 18.5259 18.5259 18.5280 18.5280 22.7514 22.7514 22.7522 22.7522 k = 0.4074 0.4491 0.3080 ( 648 PWs) bands (ev): 12.5787 12.5787 12.5846 12.5846 14.0662 14.0662 14.0794 14.0794 15.3771 15.3771 15.3908 15.3908 17.0007 17.0007 17.0523 17.0523 18.5217 18.5217 18.5257 18.5257 22.8982 22.8982 22.8985 22.8985 k = 0.4037 0.4555 0.3080 ( 644 PWs) bands (ev): 12.6271 12.6271 12.6333 12.6333 14.0839 14.0839 14.0976 14.0976 15.3103 15.3103 15.3252 15.3252 16.9624 16.9624 17.0174 17.0174 18.5173 18.5173 18.5232 18.5232 23.0454 23.0454 23.0469 23.0469 k = 0.4000 0.4619 0.3080 ( 648 PWs) bands (ev): 12.6765 12.6765 12.6828 12.6828 14.0991 14.0991 14.1131 14.1131 15.2466 15.2466 15.2628 15.2628 16.9249 16.9249 16.9831 16.9831 18.5127 18.5127 18.5202 18.5202 23.1935 23.1935 23.1962 23.1962 k = 0.3963 0.4683 0.3080 ( 648 PWs) bands (ev): 12.7266 12.7266 12.7331 12.7331 14.1113 14.1113 14.1255 14.1255 15.1867 15.1867 15.2043 15.2043 16.8890 16.8890 16.9503 16.9503 18.5079 18.5079 18.5169 18.5169 23.3426 23.3426 23.3465 23.3465 k = 0.3926 0.4747 0.3080 ( 644 PWs) bands (ev): 12.7776 12.7776 12.7842 12.7842 14.1197 14.1197 14.1340 14.1340 15.1312 15.1312 15.1505 15.1505 16.8545 16.8545 16.9189 16.9189 18.5030 18.5030 18.5134 18.5134 23.4923 23.4923 23.4975 23.4975 k = 0.3889 0.4811 0.3080 ( 644 PWs) bands (ev): 12.8290 12.8290 12.8358 12.8358 14.1236 14.1236 14.1378 14.1378 15.0808 15.0808 15.1018 15.1018 16.8217 16.8217 16.8890 16.8890 18.4977 18.4977 18.5095 18.5095 23.6425 23.6425 23.6490 23.6490 k = 0.3852 0.4875 0.3080 ( 646 PWs) bands (ev): 12.8810 12.8810 12.8880 12.8880 14.1221 14.1221 14.1360 14.1360 15.0359 15.0359 15.0589 15.0589 16.7906 16.7906 16.8608 16.8608 18.4923 18.4923 18.5053 18.5053 23.7929 23.7929 23.8008 23.8008 k = 0.3815 0.4940 0.3080 ( 642 PWs) bands (ev): 12.9335 12.9335 12.9406 12.9406 14.1151 14.1151 14.1284 14.1284 14.9974 14.9974 15.0225 15.0225 16.7618 16.7618 16.8347 16.8347 18.4867 18.4867 18.5008 18.5008 23.9433 23.9433 23.9527 23.9527 k = 0.3778 0.5004 0.3080 ( 642 PWs) bands (ev): 12.9861 12.9861 12.9934 12.9934 14.1017 14.1017 14.1144 14.1144 14.9650 14.9650 14.9924 14.9924 16.7348 16.7348 16.8104 16.8104 18.4812 18.4812 18.4962 18.4962 24.0933 24.0933 24.1042 24.1042 k = 0.3741 0.5068 0.3080 ( 640 PWs) bands (ev): 13.0391 13.0391 13.0466 13.0466 14.0820 14.0820 14.0940 14.0940 14.9390 14.9390 14.9688 14.9688 16.7101 16.7101 16.7882 16.7882 18.4756 18.4756 18.4916 18.4916 24.2425 24.2425 24.2551 24.2551 k = 0.3704 0.5132 0.3080 ( 640 PWs) bands (ev): 13.0923 13.0923 13.0999 13.0999 14.0562 14.0562 14.0674 14.0674 14.9191 14.9191 14.9511 14.9511 16.6877 16.6877 16.7682 16.7682 18.4698 18.4698 18.4867 18.4867 24.3904 24.3904 24.4047 24.4047 k = 0.3667 0.5196 0.3080 ( 640 PWs) bands (ev): 13.1455 13.1455 13.1532 13.1532 14.0249 14.0249 14.0353 14.0353 14.9045 14.9045 14.9387 14.9387 16.6677 16.6677 16.7505 16.7505 18.4642 18.4642 18.4818 18.4818 24.5362 24.5362 24.5525 24.5525 k = 0.3630 0.5260 0.3080 ( 640 PWs) bands (ev): 13.1986 13.1986 13.2066 13.2066 13.9887 13.9887 13.9985 13.9985 14.8944 14.8944 14.9306 14.9306 16.6502 16.6502 16.7350 16.7350 18.4587 18.4587 18.4770 18.4770 24.6791 24.6791 24.6975 24.6975 k = 0.3593 0.5324 0.3080 ( 640 PWs) bands (ev): 13.2517 13.2517 13.2598 13.2598 13.9486 13.9486 13.9577 13.9577 14.8880 14.8880 14.9259 14.9259 16.6352 16.6352 16.7219 16.7219 18.4534 18.4534 18.4724 18.4724 24.8178 24.8178 24.8386 24.8386 k = 0.3556 0.5389 0.3080 ( 636 PWs) bands (ev): 13.3045 13.3045 13.3129 13.3129 13.9054 13.9054 13.9139 13.9139 14.8843 14.8843 14.9238 14.9238 16.6228 16.6228 16.7112 16.7112 18.4486 18.4486 18.4681 18.4681 24.9508 24.9508 24.9741 24.9741 k = 0.3519 0.5453 0.3080 ( 636 PWs) bands (ev): 13.3570 13.3570 13.3657 13.3657 13.8598 13.8598 13.8677 13.8677 14.8824 14.8824 14.9232 14.9232 16.6127 16.6127 16.7025 16.7025 18.4442 18.4442 18.4642 18.4642 25.0755 25.0755 25.1016 25.1016 k = 0.3481 0.5517 0.3080 ( 640 PWs) bands (ev): 13.4089 13.4089 13.4180 13.4180 13.8125 13.8125 13.8198 13.8198 14.8816 14.8816 14.9234 14.9234 16.6048 16.6048 16.6958 16.6958 18.4403 18.4403 18.4607 18.4607 25.1890 25.1890 25.2181 25.2182 k = 0.3444 0.5581 0.3080 ( 642 PWs) bands (ev): 13.4603 13.4603 13.4699 13.4699 13.7643 13.7643 13.7709 13.7709 14.8815 14.8815 14.9241 14.9241 16.5991 16.5991 16.6909 16.6909 18.4371 18.4371 18.4577 18.4577 25.2870 25.2870 25.3192 25.3192 k = 0.3407 0.5645 0.3080 ( 642 PWs) bands (ev): 13.5105 13.5105 13.5213 13.5213 13.7160 13.7160 13.7214 13.7214 14.8819 14.8819 14.9250 14.9250 16.5953 16.5953 16.6878 16.6878 18.4347 18.4347 18.4555 18.4555 25.3642 25.3642 25.3992 25.3992 k = 0.3370 0.5709 0.3080 ( 642 PWs) bands (ev): 13.5584 13.5584 13.5720 13.5720 13.6692 13.6692 13.6717 13.6717 14.8822 14.8822 14.9256 14.9256 16.5933 16.5933 16.6862 16.6862 18.4331 18.4331 18.4541 18.4541 25.4144 25.4144 25.4514 25.4514 k = 0.3333 0.5774 0.3080 ( 642 PWs) bands (ev): 13.5893 13.5893 13.6190 13.6190 13.6250 13.6250 13.6385 13.6385 14.8823 14.8823 14.9258 14.9258 16.5927 16.5927 16.6857 16.6857 18.4326 18.4326 18.4536 18.4536 25.4321 25.4321 25.4699 25.4699 k = 0.3333 0.5774 0.3080 ( 642 PWs) bands (ev): 13.5893 13.5893 13.6190 13.6190 13.6250 13.6250 13.6385 13.6385 14.8823 14.8823 14.9258 14.9258 16.5927 16.5927 16.6857 16.6857 18.4326 18.4326 18.4536 18.4536 25.4321 25.4321 25.4699 25.4699 k = 0.3296 0.5709 0.3080 ( 642 PWs) bands (ev): 13.5589 13.5589 13.5726 13.5726 13.6687 13.6687 13.6712 13.6712 14.8822 14.8822 14.9256 14.9256 16.5932 16.5932 16.6861 16.6861 18.4332 18.4332 18.4542 18.4542 25.4139 25.4139 25.4509 25.4509 k = 0.3259 0.5645 0.3080 ( 642 PWs) bands (ev): 13.5130 13.5130 13.5238 13.5238 13.7139 13.7139 13.7192 13.7192 14.8817 14.8817 14.9249 14.9249 16.5945 16.5945 16.6871 16.6871 18.4349 18.4349 18.4558 18.4558 25.3602 25.3602 25.3950 25.3950 k = 0.3222 0.5581 0.3080 ( 642 PWs) bands (ev): 13.4660 13.4660 13.4758 13.4758 13.7597 13.7597 13.7662 13.7662 14.8810 14.8810 14.9237 14.9237 16.5964 16.5964 16.6883 16.6883 18.4379 18.4379 18.4585 18.4585 25.2749 25.2749 25.3066 25.3066 k = 0.3185 0.5517 0.3080 ( 642 PWs) bands (ev): 13.4194 13.4194 13.4286 13.4286 13.8048 13.8048 13.8119 13.8119 14.8801 14.8801 14.9222 14.9222 16.5984 16.5984 16.6896 16.6896 18.4421 18.4421 18.4625 18.4625 25.1635 25.1635 25.1917 25.1917 k = 0.3148 0.5453 0.3080 ( 642 PWs) bands (ev): 13.3736 13.3736 13.3824 13.3824 13.8487 13.8487 13.8564 13.8564 14.8792 14.8792 14.9206 14.9206 16.6003 16.6003 16.6905 16.6905 18.4477 18.4477 18.4676 18.4676 25.0316 25.0316 25.0565 25.0565 k = 0.3111 0.5389 0.3080 ( 642 PWs) bands (ev): 13.3287 13.3287 13.3372 13.3372 13.8912 13.8912 13.8993 13.8993 14.8783 14.8783 14.9189 14.9189 16.6019 16.6019 16.6910 16.6910 18.4546 18.4546 18.4740 18.4740 24.8843 24.8843 24.9060 24.9060 k = 0.3074 0.5324 0.3080 ( 642 PWs) bands (ev): 13.2848 13.2848 13.2931 13.2931 13.9320 13.9320 13.9406 13.9406 14.8777 14.8777 14.9173 14.9173 16.6029 16.6029 16.6908 16.6908 18.4627 18.4627 18.4816 18.4816 24.7253 24.7253 24.7443 24.7443 k = 0.3037 0.5260 0.3080 ( 638 PWs) bands (ev): 13.2421 13.2421 13.2501 13.2501 13.9712 13.9712 13.9803 13.9803 14.8776 14.8776 14.9162 14.9162 16.6033 16.6033 16.6899 16.6899 18.4722 18.4722 18.4905 18.4905 24.5578 24.5578 24.5743 24.5743 k = 0.3000 0.5196 0.3080 ( 638 PWs) bands (ev): 13.2005 13.2005 13.2084 13.2084 14.0085 14.0085 14.0180 14.0180 14.8778 14.8778 14.9154 14.9154 16.6027 16.6027 16.6878 16.6878 18.4829 18.4829 18.5005 18.5005 24.3840 24.3840 24.3983 24.3983 k = 0.2963 0.5132 0.3080 ( 638 PWs) bands (ev): 13.1601 13.1601 13.1679 13.1679 14.0437 14.0437 14.0537 14.0537 14.8787 14.8787 14.9151 14.9151 16.6010 16.6010 16.6847 16.6847 18.4945 18.4945 18.5114 18.5114 24.2056 24.2056 24.2179 24.2179 k = 0.2926 0.5068 0.3080 ( 638 PWs) bands (ev): 13.1210 13.1210 13.1286 13.1286 14.0768 14.0768 14.0873 14.0873 14.8803 14.8803 14.9155 14.9155 16.5982 16.5982 16.6804 16.6804 18.5071 18.5071 18.5233 18.5233 24.0240 24.0240 24.0345 24.0345 k = 0.2889 0.5004 0.3080 ( 638 PWs) bands (ev): 13.0831 13.0831 13.0906 13.0906 14.1077 14.1077 14.1187 14.1187 14.8828 14.8828 14.9167 14.9167 16.5944 16.5944 16.6750 16.6750 18.5205 18.5205 18.5359 18.5359 23.8401 23.8401 23.8491 23.8491 k = 0.2852 0.4940 0.3080 ( 638 PWs) bands (ev): 13.0466 13.0466 13.0540 13.0540 14.1362 14.1362 14.1479 14.1479 14.8861 14.8861 14.9187 14.9187 16.5896 16.5896 16.6686 16.6686 18.5345 18.5345 18.5491 18.5491 23.6549 23.6549 23.6624 23.6624 k = 0.2815 0.4875 0.3080 ( 638 PWs) bands (ev): 13.0113 13.0113 13.0186 13.0186 14.1625 14.1625 14.1748 14.1748 14.8903 14.8903 14.9216 14.9216 16.5837 16.5837 16.6613 16.6613 18.5489 18.5489 18.5627 18.5627 23.4689 23.4689 23.4752 23.4752 k = 0.2778 0.4811 0.3080 ( 638 PWs) bands (ev): 12.9773 12.9773 12.9844 12.9844 14.1864 14.1864 14.1994 14.1994 14.8953 14.8953 14.9252 14.9252 16.5771 16.5771 16.6531 16.6531 18.5636 18.5636 18.5766 18.5766 23.2829 23.2829 23.2879 23.2879 k = 0.2741 0.4747 0.3080 ( 638 PWs) bands (ev): 12.9444 12.9444 12.9514 12.9514 14.2081 14.2081 14.2217 14.2217 14.9010 14.9010 14.9295 14.9295 16.5697 16.5697 16.6442 16.6442 18.5783 18.5783 18.5906 18.5906 23.0971 23.0971 23.1011 23.1011 k = 0.2704 0.4683 0.3080 ( 638 PWs) bands (ev): 12.9129 12.9129 12.9198 12.9198 14.2275 14.2275 14.2419 14.2419 14.9072 14.9072 14.9343 14.9343 16.5618 16.5618 16.6348 16.6348 18.5928 18.5928 18.6044 18.6044 22.9122 22.9122 22.9151 22.9151 k = 0.2667 0.4619 0.3080 ( 638 PWs) bands (ev): 12.8826 12.8826 12.8894 12.8894 14.2449 14.2449 14.2599 14.2599 14.9138 14.9138 14.9394 14.9394 16.5535 16.5535 16.6251 16.6251 18.6070 18.6070 18.6179 18.6179 22.7283 22.7283 22.7302 22.7302 k = 0.2630 0.4555 0.3080 ( 640 PWs) bands (ev): 12.8533 12.8533 12.8600 12.8600 14.2603 14.2603 14.2760 14.2760 14.9204 14.9204 14.9445 14.9445 16.5451 16.5451 16.6153 16.6153 18.6205 18.6205 18.6308 18.6308 22.5458 22.5458 22.5468 22.5468 k = 0.2593 0.4491 0.3080 ( 640 PWs) bands (ev): 12.8253 12.8253 12.8319 12.8319 14.2739 14.2739 14.2904 14.2904 14.9268 14.9268 14.9495 14.9495 16.5368 16.5368 16.6055 16.6055 18.6333 18.6333 18.6430 18.6430 22.3650 22.3650 22.3652 22.3652 k = 0.2556 0.4426 0.3080 ( 640 PWs) bands (ev): 12.7984 12.7984 12.8048 12.8048 14.2859 14.2859 14.3031 14.3031 14.9329 14.9329 14.9540 14.9540 16.5288 16.5288 16.5961 16.5961 18.6452 18.6452 18.6543 18.6543 22.1856 22.1856 22.1862 22.1862 k = 0.2519 0.4362 0.3080 ( 636 PWs) bands (ev): 12.7727 12.7727 12.7790 12.7790 14.2965 14.2965 14.3144 14.3144 14.9383 14.9383 14.9578 14.9578 16.5213 16.5213 16.5873 16.5873 18.6560 18.6560 18.6646 18.6646 22.0082 22.0082 22.0096 22.0096 k = 0.2481 0.4298 0.3080 ( 640 PWs) bands (ev): 12.7477 12.7477 12.7539 12.7539 14.3057 14.3057 14.3242 14.3242 14.9426 14.9426 14.9605 14.9605 16.5143 16.5143 16.5789 16.5789 18.6654 18.6654 18.6736 18.6736 21.8333 21.8333 21.8355 21.8355 k = 0.2444 0.4234 0.3080 ( 648 PWs) bands (ev): 12.7235 12.7235 12.7295 12.7295 14.3133 14.3133 14.3326 14.3326 14.9459 14.9459 14.9622 14.9622 16.5083 16.5083 16.5714 16.5714 18.6733 18.6733 18.6810 18.6810 21.6610 21.6610 21.6639 21.6639 k = 0.2407 0.4170 0.3080 ( 648 PWs) bands (ev): 12.7003 12.7003 12.7062 12.7062 14.3203 14.3203 14.3402 14.3402 14.9480 14.9480 14.9627 14.9627 16.5034 16.5034 16.5651 16.5651 18.6797 18.6797 18.6871 18.6871 21.4917 21.4917 21.4953 21.4953 k = 0.2370 0.4106 0.3080 ( 648 PWs) bands (ev): 12.6778 12.6778 12.6836 12.6836 14.3263 14.3263 14.3468 14.3468 14.9488 14.9488 14.9617 14.9617 16.4996 16.4996 16.5599 16.5599 18.6844 18.6844 18.6915 18.6915 21.3256 21.3256 21.3298 21.3298 k = 0.2333 0.4041 0.3080 ( 656 PWs) bands (ev): 12.6559 12.6559 12.6615 12.6615 14.3312 14.3312 14.3524 14.3524 14.9480 14.9480 14.9592 14.9592 16.4969 16.4969 16.5558 16.5558 18.6870 18.6870 18.6937 18.6937 21.1627 21.1627 21.1675 21.1675 k = 0.2296 0.3977 0.3080 ( 656 PWs) bands (ev): 12.6346 12.6346 12.6401 12.6401 14.3354 14.3354 14.3571 14.3571 14.9461 14.9461 14.9555 14.9555 16.4957 16.4957 16.5532 16.5532 18.6878 18.6878 18.6943 18.6943 21.0034 21.0034 21.0089 21.0089 k = 0.2259 0.3913 0.3080 ( 652 PWs) bands (ev): 12.6137 12.6137 12.6191 12.6191 14.3389 14.3389 14.3612 14.3612 14.9430 14.9430 14.9507 14.9507 16.4957 16.4957 16.5518 16.5518 18.6865 18.6865 18.6928 18.6928 20.8480 20.8480 20.8540 20.8540 k = 0.2222 0.3849 0.3080 ( 652 PWs) bands (ev): 12.5932 12.5932 12.5984 12.5984 14.3411 14.3411 14.3641 14.3641 14.9388 14.9388 14.9447 14.9447 16.4970 16.4970 16.5517 16.5517 18.6830 18.6830 18.6891 18.6891 20.6966 20.6966 20.7032 20.7032 k = 0.2185 0.3785 0.3080 ( 648 PWs) bands (ev): 12.5729 12.5729 12.5780 12.5780 14.3424 14.3424 14.3659 14.3659 14.9338 14.9338 14.9379 14.9379 16.4994 16.4994 16.5527 16.5527 18.6772 18.6772 18.6832 18.6832 20.5495 20.5495 20.5566 20.5566 k = 0.2148 0.3721 0.3080 ( 648 PWs) bands (ev): 12.5525 12.5525 12.5575 12.5575 14.3426 14.3426 14.3665 14.3665 14.9282 14.9282 14.9307 14.9307 16.5028 16.5028 16.5547 16.5547 18.6688 18.6688 18.6747 18.6747 20.4069 20.4069 20.4145 20.4145 k = 0.2111 0.3657 0.3080 ( 648 PWs) bands (ev): 12.5320 12.5320 12.5369 12.5369 14.3416 14.3416 14.3658 14.3658 14.9225 14.9225 14.9234 14.9234 16.5071 16.5071 16.5577 16.5577 18.6577 18.6577 18.6635 18.6635 20.2692 20.2692 20.2772 20.2772 k = 0.2074 0.3592 0.3080 ( 648 PWs) bands (ev): 12.5112 12.5112 12.5159 12.5159 14.3393 14.3393 14.3638 14.3638 14.9164 14.9164 14.9170 14.9170 16.5120 16.5120 16.5613 16.5613 18.6439 18.6439 18.6497 18.6497 20.1365 20.1365 20.1450 20.1450 k = 0.2037 0.3528 0.3080 ( 648 PWs) bands (ev): 12.4899 12.4899 12.4945 12.4945 14.3357 14.3357 14.3603 14.3603 14.9102 14.9102 14.9120 14.9120 16.5174 16.5174 16.5654 16.5654 18.6271 18.6271 18.6330 18.6330 20.0094 20.0094 20.0182 20.0182 k = 0.2000 0.3464 0.3080 ( 644 PWs) bands (ev): 12.4680 12.4680 12.4724 12.4724 14.3308 14.3308 14.3553 14.3553 14.9051 14.9051 14.9081 14.9081 16.5231 16.5231 16.5699 16.5699 18.6074 18.6074 18.6133 18.6133 19.8880 19.8880 19.8971 19.8971 k = 0.1963 0.3400 0.3080 ( 644 PWs) bands (ev): 12.4452 12.4452 12.4495 12.4495 14.3243 14.3243 14.3486 14.3486 14.9015 14.9015 14.9053 14.9053 16.5287 16.5287 16.5743 16.5743 18.5844 18.5844 18.5905 18.5905 19.7726 19.7726 19.7820 19.7820 k = 0.1926 0.3336 0.3080 ( 644 PWs) bands (ev): 12.4214 12.4214 12.4256 12.4256 14.3166 14.3166 14.3404 14.3404 14.8997 14.8997 14.9042 14.9042 16.5340 16.5340 16.5785 16.5785 18.5581 18.5581 18.5644 18.5644 19.6636 19.6636 19.6732 19.6732 k = 0.1889 0.3272 0.3080 ( 652 PWs) bands (ev): 12.3964 12.3964 12.4004 12.4004 14.3075 14.3075 14.3307 14.3307 14.8997 14.8997 14.9046 14.9046 16.5384 16.5384 16.5818 16.5818 18.5282 18.5282 18.5347 18.5347 19.5611 19.5611 19.5708 19.5708 k = 0.1852 0.3208 0.3080 ( 648 PWs) bands (ev): 12.3701 12.3701 12.3740 12.3740 14.2976 14.2976 14.3202 14.3202 14.9021 14.9021 14.9072 14.9072 16.5424 16.5424 16.5848 16.5848 18.4953 18.4953 18.5022 18.5022 19.4655 19.4655 19.4752 19.4752 k = 0.1815 0.3143 0.3080 ( 648 PWs) bands (ev): 12.3421 12.3421 12.3459 12.3459 14.2870 14.2870 14.3086 14.3086 14.9064 14.9064 14.9115 14.9115 16.5452 16.5452 16.5865 16.5865 18.4593 18.4593 18.4665 18.4665 19.3767 19.3767 19.3863 19.3863 k = 0.1778 0.3079 0.3080 ( 648 PWs) bands (ev): 12.3124 12.3124 12.3160 12.3160 14.2759 14.2759 14.2966 14.2966 14.9129 14.9129 14.9178 14.9178 16.5467 16.5467 16.5869 16.5869 18.4205 18.4205 18.4280 18.4280 19.2947 19.2947 19.3042 19.3042 k = 0.1741 0.3015 0.3080 ( 652 PWs) bands (ev): 12.2807 12.2807 12.2842 12.2842 14.2647 14.2647 14.2843 14.2843 14.9212 14.9212 14.9258 14.9258 16.5464 16.5464 16.5856 16.5856 18.3792 18.3792 18.3871 18.3871 19.2191 19.2191 19.2284 19.2284 k = 0.1704 0.2951 0.3080 ( 652 PWs) bands (ev): 12.2471 12.2471 12.2505 12.2505 14.2538 14.2538 14.2724 14.2724 14.9315 14.9315 14.9358 14.9358 16.5442 16.5442 16.5824 16.5824 18.3363 18.3363 18.3444 18.3444 19.1498 19.1498 19.1589 19.1589 k = 0.1667 0.2887 0.3080 ( 648 PWs) bands (ev): 12.2115 12.2115 12.2147 12.2147 14.2436 14.2436 14.2610 14.2610 14.9436 14.9436 14.9475 14.9475 16.5400 16.5400 16.5771 16.5771 18.2925 18.2925 18.3010 18.3010 19.0862 19.0862 19.0950 19.0950 k = 0.1630 0.2823 0.3080 ( 652 PWs) bands (ev): 12.1735 12.1735 12.1765 12.1765 14.2343 14.2343 14.2506 14.2506 14.9573 14.9573 14.9607 14.9607 16.5332 16.5332 16.5693 16.5693 18.2482 18.2482 18.2569 18.2569 19.0274 19.0274 19.0358 19.0358 k = 0.1593 0.2758 0.3080 ( 652 PWs) bands (ev): 12.1334 12.1334 12.1363 12.1363 14.2263 14.2263 14.2415 14.2415 14.9724 14.9724 14.9753 14.9753 16.5239 16.5239 16.5589 16.5589 18.2044 18.2044 18.2132 18.2132 18.9733 18.9733 18.9814 18.9814 k = 0.1556 0.2694 0.3080 ( 652 PWs) bands (ev): 12.0910 12.0910 12.0938 12.0938 14.2197 14.2197 14.2339 14.2339 14.9887 14.9887 14.9911 14.9911 16.5119 16.5119 16.5457 16.5457 18.1619 18.1619 18.1708 18.1708 18.9229 18.9229 18.9307 18.9307 k = 0.1519 0.2630 0.3080 ( 652 PWs) bands (ev): 12.0465 12.0465 12.0491 12.0491 14.2149 14.2149 14.2281 14.2281 15.0062 15.0062 15.0081 15.0081 16.4970 16.4970 16.5296 16.5296 18.1215 18.1215 18.1302 18.1302 18.8758 18.8758 18.8832 18.8832 k = 0.1481 0.2566 0.3080 ( 652 PWs) bands (ev): 11.9998 11.9998 12.0023 12.0023 14.2119 14.2119 14.2242 14.2242 15.0246 15.0246 15.0260 15.0260 16.4792 16.4792 16.5106 16.5106 18.0835 18.0835 18.0921 18.0921 18.8313 18.8313 18.8385 18.8385 k = 0.1444 0.2502 0.3080 ( 652 PWs) bands (ev): 11.9510 11.9510 11.9534 11.9534 14.2109 14.2109 14.2223 14.2223 15.0439 15.0439 15.0447 15.0447 16.4585 16.4585 16.4887 16.4887 18.0485 18.0485 18.0568 18.0568 18.7890 18.7890 18.7959 18.7959 k = 0.1407 0.2438 0.3080 ( 652 PWs) bands (ev): 11.9004 11.9004 11.9026 11.9026 14.2120 14.2120 14.2226 14.2226 15.0639 15.0639 15.0642 15.0642 16.4351 16.4351 16.4639 16.4639 18.0168 18.0168 18.0246 18.0246 18.7485 18.7485 18.7552 18.7552 k = 0.1370 0.2374 0.3080 ( 648 PWs) bands (ev): 11.8480 11.8480 11.8501 11.8501 14.2152 14.2152 14.2250 14.2250 15.0843 15.0843 15.0845 15.0845 16.4090 16.4090 16.4365 16.4365 17.9884 17.9884 17.9957 17.9957 18.7097 18.7097 18.7162 18.7162 k = 0.1333 0.2309 0.3080 ( 650 PWs) bands (ev): 11.7940 11.7940 11.7958 11.7958 14.2205 14.2205 14.2296 14.2296 15.1048 15.1048 15.1054 15.1054 16.3804 16.3804 16.4065 16.4065 17.9633 17.9633 17.9701 17.9701 18.6720 18.6720 18.6782 18.6782 k = 0.1296 0.2245 0.3080 ( 646 PWs) bands (ev): 11.7385 11.7385 11.7403 11.7403 14.2280 14.2280 14.2364 14.2364 15.1256 15.1256 15.1267 15.1267 16.3498 16.3498 16.3746 16.3746 17.9418 17.9418 17.9479 17.9479 18.6354 18.6354 18.6413 18.6413 k = 0.1259 0.2181 0.3080 ( 646 PWs) bands (ev): 11.6818 11.6818 11.6835 11.6835 14.2375 14.2375 14.2452 14.2452 15.1467 15.1467 15.1482 15.1482 16.3172 16.3172 16.3407 16.3407 17.9232 17.9232 17.9287 17.9287 18.5996 18.5996 18.6054 18.6054 k = 0.1222 0.2117 0.3080 ( 646 PWs) bands (ev): 11.6242 11.6242 11.6257 11.6257 14.2489 14.2489 14.2560 14.2560 15.1678 15.1678 15.1697 15.1697 16.2829 16.2829 16.3051 16.3051 17.9075 17.9075 17.9124 17.9124 18.5647 18.5647 18.5703 18.5703 k = 0.1185 0.2053 0.3080 ( 646 PWs) bands (ev): 11.5657 11.5657 11.5671 11.5671 14.2623 14.2623 14.2689 14.2689 15.1889 15.1889 15.1913 15.1913 16.2474 16.2474 16.2683 16.2683 17.8946 17.8946 17.8988 17.8988 18.5306 18.5306 18.5359 18.5359 k = 0.1148 0.1989 0.3080 ( 646 PWs) bands (ev): 11.5068 11.5068 11.5080 11.5080 14.2775 14.2775 14.2835 14.2835 15.2099 15.2099 15.2127 15.2127 16.2108 16.2108 16.2306 16.2306 17.8841 17.8841 17.8877 17.8877 18.4971 18.4971 18.5022 18.5022 k = 0.1111 0.1925 0.3080 ( 646 PWs) bands (ev): 11.4474 11.4474 11.4486 11.4486 14.2944 14.2944 14.2999 14.2999 15.2306 15.2306 15.2338 15.2338 16.1735 16.1735 16.1922 16.1922 17.8759 17.8759 17.8789 17.8789 18.4642 18.4642 18.4692 18.4692 k = 0.1074 0.1860 0.3080 ( 646 PWs) bands (ev): 11.3880 11.3880 11.3890 11.3890 14.3129 14.3129 14.3179 14.3179 15.2511 15.2511 15.2546 15.2546 16.1358 16.1358 16.1535 16.1535 17.8695 17.8695 17.8720 17.8720 18.4320 18.4320 18.4368 18.4368 k = 0.1037 0.1796 0.3080 ( 646 PWs) bands (ev): 11.3287 11.3287 11.3296 11.3296 14.3328 14.3328 14.3374 14.3374 15.2711 15.2711 15.2750 15.2750 16.0980 16.0980 16.1147 16.1147 17.8649 17.8649 17.8669 17.8669 18.4004 18.4004 18.4050 18.4050 k = 0.1000 0.1732 0.3080 ( 642 PWs) bands (ev): 11.2697 11.2697 11.2705 11.2705 14.3542 14.3542 14.3584 14.3584 15.2906 15.2906 15.2949 15.2949 16.0604 16.0604 16.0763 16.0763 17.8619 17.8619 17.8634 17.8634 18.3695 18.3695 18.3739 18.3739 k = 0.0963 0.1668 0.3080 ( 642 PWs) bands (ev): 11.2112 11.2112 11.2119 11.2119 14.3768 14.3768 14.3806 14.3806 15.3095 15.3095 15.3141 15.3141 16.0230 16.0230 16.0380 16.0380 17.8600 17.8600 17.8611 17.8611 18.3392 18.3392 18.3434 18.3434 k = 0.0926 0.1604 0.3080 ( 642 PWs) bands (ev): 11.1534 11.1534 11.1540 11.1540 14.4004 14.4004 14.4039 14.4039 15.3276 15.3276 15.3325 15.3325 15.9860 15.9860 16.0003 16.0003 17.8591 17.8591 17.8598 17.8598 18.3096 18.3096 18.3137 18.3137 k = 0.0889 0.1540 0.3080 ( 646 PWs) bands (ev): 11.0965 11.0965 11.0970 11.0970 14.4250 14.4250 14.4281 14.4281 15.3446 15.3446 15.3499 15.3499 15.9497 15.9497 15.9633 15.9633 17.8591 17.8591 17.8595 17.8595 18.2808 18.2808 18.2846 18.2846 k = 0.0852 0.1475 0.3080 ( 646 PWs) bands (ev): 11.0406 11.0406 11.0411 11.0411 14.4505 14.4505 14.4533 14.4533 15.3610 15.3610 15.3666 15.3666 15.9143 15.9143 15.9272 15.9272 17.8599 17.8599 17.8600 17.8600 18.2527 18.2527 18.2563 18.2563 k = 0.0815 0.1411 0.3080 ( 646 PWs) bands (ev): 10.9860 10.9860 10.9864 10.9864 14.4768 14.4768 14.4792 14.4792 15.3764 15.3764 15.3822 15.3822 15.8799 15.8799 15.8922 15.8922 17.8611 17.8611 17.8612 17.8612 18.2255 18.2255 18.2289 18.2289 k = 0.0778 0.1347 0.3080 ( 646 PWs) bands (ev): 10.9328 10.9328 10.9332 10.9332 14.5036 14.5036 14.5058 14.5058 15.3907 15.3907 15.3968 15.3968 15.8466 15.8466 15.8584 15.8584 17.8627 17.8627 17.8631 17.8631 18.1991 18.1991 18.2023 18.2023 k = 0.0741 0.1283 0.3080 ( 650 PWs) bands (ev): 10.8811 10.8811 10.8814 10.8814 14.5308 14.5308 14.5327 14.5327 15.4036 15.4036 15.4100 15.4100 15.8144 15.8144 15.8257 15.8257 17.8646 17.8646 17.8652 17.8652 18.1736 18.1736 18.1766 18.1766 k = 0.0704 0.1219 0.3080 ( 650 PWs) bands (ev): 10.8311 10.8311 10.8314 10.8314 14.5585 14.5585 14.5601 14.5601 15.4156 15.4156 15.4221 15.4221 15.7837 15.7837 15.7945 15.7945 17.8669 17.8669 17.8676 17.8676 18.1491 18.1491 18.1519 18.1519 k = 0.0667 0.1155 0.3080 ( 650 PWs) bands (ev): 10.7830 10.7830 10.7832 10.7832 14.5863 14.5863 14.5878 14.5878 15.4263 15.4263 15.4330 15.4330 15.7544 15.7544 15.7647 15.7647 17.8695 17.8695 17.8703 17.8703 18.1256 18.1256 18.1283 18.1283 k = 0.0630 0.1091 0.3080 ( 650 PWs) bands (ev): 10.7367 10.7367 10.7369 10.7369 14.6143 14.6143 14.6155 14.6155 15.4356 15.4356 15.4424 15.4424 15.7265 15.7265 15.7365 15.7365 17.8721 17.8721 17.8730 17.8730 18.1032 18.1032 18.1057 18.1057 k = 0.0593 0.1026 0.3080 ( 650 PWs) bands (ev): 10.6926 10.6926 10.6927 10.6927 14.6422 14.6422 14.6432 14.6432 15.4436 15.4436 15.4505 15.4505 15.7003 15.7003 15.7098 15.7098 17.8749 17.8749 17.8758 17.8758 18.0819 18.0819 18.0842 18.0842 k = 0.0556 0.0962 0.3080 ( 654 PWs) bands (ev): 10.6506 10.6506 10.6507 10.6507 14.6697 14.6697 14.6705 14.6705 15.4500 15.4500 15.4569 15.4569 15.6756 15.6756 15.6847 15.6847 17.8776 17.8776 17.8786 17.8786 18.0617 18.0617 18.0637 18.0637 k = 0.0519 0.0898 0.3080 ( 658 PWs) bands (ev): 10.6108 10.6108 10.6109 10.6109 14.6967 14.6967 14.6974 14.6974 15.4551 15.4551 15.4618 15.4618 15.6529 15.6529 15.6614 15.6614 17.8802 17.8802 17.8812 17.8812 18.0426 18.0426 18.0445 18.0445 k = 0.0481 0.0834 0.3080 ( 648 PWs) bands (ev): 10.5734 10.5734 10.5735 10.5735 14.7236 14.7236 14.7241 14.7241 15.4591 15.4591 15.4656 15.4656 15.6324 15.6324 15.6403 15.6403 17.8829 17.8829 17.8839 17.8839 18.0253 18.0253 18.0270 18.0270 k = 0.0444 0.0770 0.3080 ( 648 PWs) bands (ev): 10.5385 10.5385 10.5385 10.5385 14.7496 14.7496 14.7500 14.7500 15.4613 15.4613 15.4674 15.4674 15.6136 15.6136 15.6208 15.6208 17.8853 17.8853 17.8863 17.8863 18.0089 18.0089 18.0105 18.0105 k = 0.0407 0.0706 0.3080 ( 652 PWs) bands (ev): 10.5060 10.5060 10.5061 10.5061 14.7746 14.7746 14.7749 14.7749 15.4619 15.4619 15.4675 15.4675 15.5968 15.5968 15.6032 15.6032 17.8875 17.8875 17.8884 17.8884 17.9938 17.9938 17.9952 17.9952 k = 0.0370 0.0642 0.3080 ( 652 PWs) bands (ev): 10.4762 10.4762 10.4762 10.4762 14.7986 14.7986 14.7988 14.7988 15.4613 15.4613 15.4663 15.4663 15.5821 15.5821 15.5877 15.5877 17.8894 17.8894 17.8902 17.8902 17.9803 17.9803 17.9815 17.9815 k = 0.0333 0.0577 0.3080 ( 652 PWs) bands (ev): 10.4490 10.4490 10.4490 10.4490 14.8214 14.8214 14.8215 14.8215 15.4595 15.4595 15.4637 15.4637 15.5696 15.5696 15.5742 15.5742 17.8910 17.8910 17.8917 17.8917 17.9682 17.9682 17.9692 17.9692 k = 0.0296 0.0513 0.3080 ( 652 PWs) bands (ev): 10.4245 10.4245 10.4245 10.4245 14.8426 14.8426 14.8427 14.8427 15.4567 15.4567 15.4600 15.4600 15.5590 15.5590 15.5626 15.5626 17.8921 17.8921 17.8928 17.8928 17.9576 17.9576 17.9585 17.9585 k = 0.0259 0.0449 0.3080 ( 652 PWs) bands (ev): 10.4028 10.4028 10.4028 10.4028 14.8621 14.8621 14.8621 14.8621 15.4531 15.4531 15.4556 15.4556 15.5502 15.5502 15.5528 15.5528 17.8928 17.8928 17.8934 17.8934 17.9487 17.9487 17.9494 17.9494 k = 0.0222 0.0385 0.3080 ( 652 PWs) bands (ev): 10.3839 10.3839 10.3839 10.3839 14.8796 14.8796 14.8797 14.8797 15.4492 15.4492 15.4508 15.4508 15.5429 15.5429 15.5447 15.5447 17.8930 17.8930 17.8934 17.8934 17.9415 17.9415 17.9419 17.9419 k = 0.0185 0.0321 0.3080 ( 652 PWs) bands (ev): 10.3678 10.3678 10.3678 10.3678 14.8950 14.8950 14.8950 14.8950 15.4451 15.4451 15.4461 15.4461 15.5370 15.5370 15.5380 15.5380 17.8926 17.8926 17.8929 17.8929 17.9358 17.9358 17.9361 17.9361 k = 0.0148 0.0257 0.3080 ( 652 PWs) bands (ev): 10.3546 10.3546 10.3546 10.3546 14.9080 14.9080 14.9080 14.9080 15.4413 15.4413 15.4418 15.4418 15.5322 15.5322 15.5328 15.5328 17.8918 17.8918 17.8920 17.8920 17.9317 17.9317 17.9319 17.9319 k = 0.0111 0.0192 0.3080 ( 652 PWs) bands (ev): 10.3444 10.3444 10.3444 10.3444 14.9183 14.9183 14.9183 14.9183 15.4380 15.4380 15.4383 15.4383 15.5286 15.5286 15.5288 15.5288 17.8908 17.8908 17.8909 17.8909 17.9290 17.9290 17.9290 17.9290 k = 0.0074 0.0128 0.3080 ( 652 PWs) bands (ev): 10.3370 10.3370 10.3370 10.3370 14.9258 14.9258 14.9258 14.9258 15.4355 15.4355 15.4356 15.4356 15.5259 15.5259 15.5260 15.5260 17.8898 17.8898 17.8898 17.8898 17.9272 17.9272 17.9272 17.9272 k = 0.0037 0.0064 0.3080 ( 652 PWs) bands (ev): 10.3326 10.3326 10.3326 10.3326 14.9304 14.9304 14.9304 14.9304 15.4339 15.4339 15.4339 15.4339 15.5243 15.5243 15.5243 15.5243 17.8891 17.8891 17.8891 17.8891 17.9263 17.9263 17.9263 17.9263 k = 0.0000 0.0000 0.3080 ( 652 PWs) bands (ev): 10.3311 10.3311 10.3311 10.3311 14.9320 14.9320 14.9320 14.9320 15.4334 15.4334 15.4334 15.4334 15.5238 15.5238 15.5238 15.5238 17.8889 17.8889 17.8889 17.8889 17.9260 17.9260 17.9260 17.9260 k = 0.5000 0.2887 0.3080 ( 644 PWs) bands (ev): 11.9022 11.9022 11.9022 11.9022 13.6942 13.6942 13.6942 13.6942 16.8236 16.8236 16.8236 16.8236 17.6538 17.6538 17.6538 17.6538 18.7499 18.7499 18.7499 18.7499 20.3109 20.3109 20.3109 20.3109 k = 0.5000 0.2887 0.3007 ( 644 PWs) bands (ev): 11.8782 11.8782 11.9272 11.9272 13.6714 13.6714 13.7169 13.7169 16.7626 16.7626 16.8851 16.8851 17.5531 17.5531 17.7558 17.7558 18.7464 18.7464 18.7535 18.7535 20.1950 20.1950 20.4260 20.4260 k = 0.5000 0.2887 0.2934 ( 644 PWs) bands (ev): 11.8554 11.8554 11.9530 11.9530 13.6488 13.6488 13.7392 13.7392 16.7021 16.7021 16.9470 16.9470 17.4539 17.4539 17.8586 17.8586 18.7428 18.7428 18.7571 18.7571 20.0783 20.0783 20.5402 20.5402 k = 0.5000 0.2887 0.2860 ( 648 PWs) bands (ev): 11.8338 11.8338 11.9796 11.9796 13.6267 13.6267 13.7606 13.7606 16.6423 16.6423 17.0090 17.0090 17.3565 17.3565 17.9620 17.9620 18.7393 18.7393 18.7607 18.7607 19.9610 19.9610 20.6532 20.6532 k = 0.5000 0.2887 0.2787 ( 648 PWs) bands (ev): 11.8137 11.8137 12.0066 12.0066 13.6057 13.6057 13.7811 13.7811 16.5832 16.5832 17.0715 17.0715 17.2612 17.2612 18.0658 18.0658 18.7358 18.7358 18.7643 18.7643 19.8432 19.8432 20.7651 20.7651 k = 0.5000 0.2887 0.2714 ( 648 PWs) bands (ev): 11.7952 11.7952 12.0339 12.0339 13.5860 13.5860 13.8001 13.8001 16.5249 16.5249 17.1339 17.1339 17.1685 17.1685 18.1696 18.1696 18.7323 18.7323 18.7680 18.7680 19.7252 19.7252 20.8756 20.8756 k = 0.5000 0.2887 0.2640 ( 648 PWs) bands (ev): 11.7782 11.7782 12.0612 12.0612 13.5679 13.5679 13.8173 13.8173 16.4674 16.4674 17.0776 17.0776 17.1973 17.1973 18.2731 18.2731 18.7289 18.7289 18.7717 18.7717 19.6072 19.6072 20.9847 20.9847 k = 0.5000 0.2887 0.2567 ( 648 PWs) bands (ev): 11.7629 11.7629 12.0882 12.0882 13.5520 13.5520 13.8325 13.8325 16.4109 16.4109 16.9903 16.9903 17.2602 17.2602 18.3756 18.3756 18.7256 18.7256 18.7755 18.7755 19.4894 19.4894 21.0922 21.0922 k = 0.5000 0.2887 0.2494 ( 648 PWs) bands (ev): 11.7494 11.7494 12.1147 12.1147 13.5386 13.5386 13.8452 13.8452 16.3552 16.3552 16.9062 16.9062 17.3230 17.3230 18.4762 18.4762 18.7225 18.7225 18.7796 18.7796 19.3724 19.3724 21.1980 21.1980 k = 0.5000 0.2887 0.2420 ( 638 PWs) bands (ev): 11.7381 11.7381 12.1405 12.1405 13.5283 13.5283 13.8552 13.8552 16.3006 16.3006 16.8258 16.8258 17.3858 17.3858 18.5733 18.5733 18.7201 18.7201 18.7845 18.7845 19.2575 19.2575 21.3020 21.3020 k = 0.5000 0.2887 0.2347 ( 638 PWs) bands (ev): 11.7282 11.7282 12.1647 12.1647 13.5211 13.5211 13.8620 13.8620 16.2471 16.2471 16.7491 16.7491 17.4482 17.4482 18.6592 18.6592 18.7205 18.7205 18.7910 18.7910 19.1476 19.1476 21.4041 21.4041 k = 0.5000 0.2887 0.2274 ( 638 PWs) bands (ev): 11.7202 11.7202 12.1873 12.1873 13.5178 13.5178 13.8654 13.8654 16.1946 16.1946 16.6766 16.6766 17.5102 17.5102 18.6999 18.6999 18.7429 18.7429 18.8041 18.8041 19.0534 19.0534 21.5040 21.5040 k = 0.5000 0.2887 0.2200 ( 642 PWs) bands (ev): 11.7141 11.7141 12.2080 12.2080 13.5184 13.5184 13.8651 13.8651 16.1433 16.1433 16.6083 16.6083 17.5718 17.5718 18.6989 18.6989 18.7563 18.7563 18.8111 18.8111 19.0145 19.0145 21.6018 21.6018 k = 0.5000 0.2887 0.2127 ( 642 PWs) bands (ev): 11.7100 11.7100 12.2264 12.2264 13.5238 13.5238 13.8609 13.8609 16.0933 16.0933 16.5448 16.5448 17.6328 17.6328 18.6763 18.6763 18.7249 18.7249 18.7992 18.7992 19.0599 19.0599 21.6972 21.6972 k = 0.5000 0.2887 0.2054 ( 642 PWs) bands (ev): 11.7079 11.7079 12.2424 12.2424 13.5340 13.5340 13.8524 13.8524 16.0446 16.0446 16.4862 16.4862 17.6932 17.6932 18.5922 18.5922 18.7080 18.7080 18.7984 18.7984 19.1401 19.1401 21.7903 21.7903 k = 0.5000 0.2887 0.1980 ( 642 PWs) bands (ev): 11.7079 11.7079 12.2557 12.2557 13.5493 13.5493 13.8396 13.8396 15.9972 15.9972 16.4325 16.4325 17.7527 17.7527 18.4834 18.4834 18.7026 18.7026 18.8005 18.8005 19.2287 19.2287 21.8807 21.8807 k = 0.5000 0.2887 0.1907 ( 642 PWs) bands (ev): 11.7099 11.7099 12.2662 12.2662 13.5698 13.5698 13.8223 13.8223 15.9513 15.9513 16.3839 16.3839 17.8114 17.8114 18.3687 18.3687 18.6989 18.6989 18.8033 18.8033 19.3193 19.3193 21.9685 21.9685 k = 0.5000 0.2887 0.1834 ( 642 PWs) bands (ev): 11.7140 11.7140 12.2739 12.2739 13.5956 13.5956 13.8006 13.8006 15.9068 15.9068 16.3403 16.3403 17.8691 17.8691 18.2519 18.2519 18.6958 18.6958 18.8061 18.8061 19.4096 19.4096 22.0535 22.0535 k = 0.5000 0.2887 0.1760 ( 640 PWs) bands (ev): 11.7202 11.7202 12.2789 12.2789 13.6267 13.6267 13.7744 13.7744 15.8638 15.8638 16.3019 16.3019 17.9255 17.9255 18.1342 18.1342 18.6930 18.6930 18.8090 18.8090 19.4986 19.4986 22.1357 22.1357 k = 0.5000 0.2887 0.1687 ( 644 PWs) bands (ev): 11.7282 11.7282 12.2812 12.2812 13.6626 13.6626 13.7440 13.7440 15.8223 15.8223 16.2680 16.2680 17.9789 17.9789 18.0178 18.0178 18.6904 18.6904 18.8116 18.8116 19.5858 19.5858 22.2149 22.2149 k = 0.5000 0.2887 0.1614 ( 644 PWs) bands (ev): 11.7386 11.7386 12.2813 12.2813 13.6981 13.6981 13.7150 13.7150 15.7824 15.7824 16.2389 16.2389 17.8968 17.8968 18.0357 18.0357 18.6880 18.6880 18.8144 18.8144 19.6708 19.6708 22.2910 22.2910 k = 0.5000 0.2887 0.1540 ( 644 PWs) bands (ev): 11.7511 11.7511 12.2792 12.2792 13.6685 13.6685 13.7516 13.7516 15.7441 15.7441 16.2142 16.2142 17.7791 17.7791 18.0879 18.0879 18.6858 18.6858 18.8171 18.8171 19.7533 19.7533 22.3639 22.3639 k = 0.5000 0.2887 0.1467 ( 638 PWs) bands (ev): 11.7657 11.7657 12.2753 12.2753 13.6266 13.6266 13.8016 13.8016 15.7080 15.7080 16.1934 16.1934 17.6614 17.6614 18.1390 18.1390 18.6840 18.6840 18.8199 18.8199 19.8331 19.8331 22.4337 22.4337 k = 0.5000 0.2887 0.1393 ( 642 PWs) bands (ev): 11.7823 11.7823 12.2699 12.2699 13.5807 13.5807 13.8561 13.8561 15.6729 15.6729 16.1765 16.1765 17.5440 17.5440 18.1880 18.1880 18.6822 18.6822 18.8219 18.8219 19.9099 19.9099 22.5002 22.5002 k = 0.5000 0.2887 0.1320 ( 646 PWs) bands (ev): 11.8010 11.8010 12.2629 12.2629 13.5318 13.5318 13.9146 13.9146 15.6396 15.6396 16.1631 16.1631 17.4270 17.4270 18.2352 18.2352 18.6807 18.6807 18.8243 18.8243 19.9835 19.9835 22.5633 22.5633 k = 0.5000 0.2887 0.1247 ( 650 PWs) bands (ev): 11.8218 11.8218 12.2552 12.2552 13.4801 13.4801 13.9768 13.9768 15.6075 15.6075 16.1527 16.1527 17.3105 17.3105 18.2803 18.2803 18.6792 18.6792 18.8267 18.8267 20.0541 20.0541 22.6231 22.6231 k = 0.5000 0.2887 0.1173 ( 652 PWs) bands (ev): 11.8448 11.8448 12.2468 12.2468 13.4261 13.4261 14.0423 14.0423 15.5775 15.5775 16.1450 16.1450 17.1946 17.1946 18.3233 18.3233 18.6783 18.6783 18.8290 18.8290 20.1213 20.1213 22.6795 22.6795 k = 0.5000 0.2887 0.1100 ( 652 PWs) bands (ev): 11.8698 11.8698 12.2379 12.2379 13.3702 13.3702 14.1111 14.1111 15.5492 15.5492 16.1396 16.1396 17.0794 17.0794 18.3639 18.3639 18.6777 18.6777 18.8312 18.8312 20.1850 20.1850 22.7324 22.7324 k = 0.5000 0.2887 0.1027 ( 652 PWs) bands (ev): 11.8970 11.8970 12.2288 12.2288 13.3128 13.3128 14.1828 14.1828 15.5226 15.5226 16.1363 16.1363 16.9650 16.9650 18.4020 18.4020 18.6776 18.6776 18.8334 18.8334 20.2451 20.2451 22.7819 22.7819 k = 0.5000 0.2887 0.0953 ( 658 PWs) bands (ev): 11.9259 11.9259 12.2194 12.2194 13.2540 13.2540 14.2572 14.2572 15.4973 15.4973 16.1345 16.1345 16.8512 16.8512 18.4372 18.4372 18.6780 18.6780 18.8355 18.8355 20.3014 20.3014 22.8279 22.8279 k = 0.5000 0.2887 0.0880 ( 658 PWs) bands (ev): 11.9570 11.9570 12.2102 12.2102 13.1944 13.1944 14.3341 14.3341 15.4743 15.4743 16.1341 16.1341 16.7384 16.7384 18.4695 18.4695 18.6791 18.6791 18.8375 18.8375 20.3539 20.3539 22.8705 22.8705 k = 0.5000 0.2887 0.0807 ( 658 PWs) bands (ev): 11.9902 11.9902 12.2013 12.2013 13.1342 13.1342 14.4134 14.4134 15.4530 15.4530 16.1347 16.1347 16.6266 16.6266 18.4986 18.4986 18.6810 18.6810 18.8395 18.8395 20.4026 20.4026 22.9096 22.9096 k = 0.5000 0.2887 0.0733 ( 658 PWs) bands (ev): 12.0252 12.0252 12.1928 12.1928 13.0736 13.0736 14.4948 14.4948 15.4336 15.4336 16.1361 16.1361 16.5158 16.5158 18.5241 18.5241 18.6840 18.6840 18.8414 18.8414 20.4472 20.4472 22.9453 22.9453 k = 0.5000 0.2887 0.0660 ( 662 PWs) bands (ev): 12.0622 12.0622 12.1848 12.1848 13.0130 13.0130 14.5778 14.5778 15.4158 15.4158 16.1378 16.1378 16.4058 16.4058 18.5459 18.5459 18.6882 18.6882 18.8433 18.8433 20.4878 20.4878 22.9775 22.9775 k = 0.5000 0.2887 0.0587 ( 662 PWs) bands (ev): 12.1009 12.1009 12.1774 12.1774 12.9525 12.9525 14.6629 14.6629 15.4000 15.4000 16.1397 16.1397 16.2977 16.2977 18.5638 18.5638 18.6936 18.6936 18.8451 18.8451 20.5243 20.5243 23.0062 23.0062 k = 0.5000 0.2887 0.0513 ( 662 PWs) bands (ev): 12.1414 12.1414 12.1707 12.1707 12.8925 12.8925 14.7494 14.7494 15.3860 15.3860 16.1398 16.1398 16.1929 16.1929 18.5779 18.5779 18.7001 18.7001 18.8469 18.8469 20.5565 20.5565 23.0316 23.0316 k = 0.5000 0.2887 0.0440 ( 662 PWs) bands (ev): 12.1647 12.1647 12.1836 12.1836 12.8332 12.8332 14.8371 14.8371 15.3738 15.3738 16.0814 16.0814 16.1484 16.1484 18.5886 18.5886 18.7072 18.7072 18.8486 18.8486 20.5846 20.5846 23.0535 23.0535 k = 0.5000 0.2887 0.0367 ( 662 PWs) bands (ev): 12.1595 12.1595 12.2272 12.2272 12.7749 12.7749 14.9254 14.9254 15.3635 15.3635 15.9798 15.9798 16.1491 16.1491 18.5963 18.5963 18.7145 18.7145 18.8501 18.8501 20.6084 20.6084 23.0720 23.0720 k = 0.5000 0.2887 0.0293 ( 664 PWs) bands (ev): 12.1553 12.1553 12.2719 12.2719 12.7180 12.7180 15.0136 15.0136 15.3549 15.3549 15.8799 15.8799 16.1507 16.1507 18.6018 18.6018 18.7210 18.7210 18.8515 18.8515 20.6279 20.6279 23.0871 23.0871 k = 0.5000 0.2887 0.0220 ( 664 PWs) bands (ev): 12.1519 12.1519 12.3172 12.3172 12.6631 12.6631 15.1001 15.1001 15.3482 15.3482 15.7843 15.7843 16.1523 16.1523 18.6056 18.6056 18.7267 18.7267 18.8527 18.8527 20.6431 20.6431 23.0989 23.0989 k = 0.5000 0.2887 0.0147 ( 664 PWs) bands (ev): 12.1495 12.1495 12.3616 12.3616 12.6119 12.6119 15.1812 15.1812 15.3431 15.3431 15.6968 15.6968 16.1534 16.1534 18.6080 18.6080 18.7310 18.7310 18.8536 18.8536 20.6540 20.6540 23.1073 23.1073 k = 0.5000 0.2887 0.0073 ( 664 PWs) bands (ev): 12.1480 12.1480 12.4006 12.4006 12.5687 12.5687 15.2478 15.2478 15.3394 15.3394 15.6272 15.6272 16.1542 16.1542 18.6094 18.6094 18.7337 18.7337 18.8542 18.8542 20.6606 20.6606 23.1123 23.1123 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): 12.1475 12.1475 12.4192 12.4192 12.5488 12.5488 15.2771 15.2771 15.3375 15.3375 15.5979 15.5979 16.1545 16.1545 18.6098 18.6098 18.7349 18.7349 18.8544 18.8544 20.6629 20.6629 23.1140 23.1140 k = 0.3333 0.5774-0.0000 ( 651 PWs) bands (ev): 12.7729 12.7729 13.5065 13.5065 13.5083 13.5083 13.7402 13.7402 15.0735 15.0735 15.1234 15.1234 16.5405 16.5405 18.1592 18.1592 18.2152 18.2152 18.3763 18.3763 23.9888 23.9888 25.3055 25.3055 k = 0.3333 0.5774 0.0073 ( 651 PWs) bands (ev): 12.7736 12.7736 13.5066 13.5066 13.5085 13.5085 13.7404 13.7404 15.0732 15.0732 15.1230 15.1230 16.5403 16.5403 18.1596 18.1596 18.2155 18.2155 18.3741 18.3741 23.9917 23.9917 25.3057 25.3057 k = 0.3333 0.5774 0.0147 ( 651 PWs) bands (ev): 12.7758 12.7758 13.5071 13.5071 13.5088 13.5088 13.7408 13.7408 15.0725 15.0725 15.1219 15.1219 16.5396 16.5396 18.1609 18.1609 18.2165 18.2165 18.3675 18.3675 24.0001 24.0001 25.3061 25.3061 k = 0.3333 0.5774 0.0220 ( 651 PWs) bands (ev): 12.7796 12.7796 13.5079 13.5079 13.5095 13.5095 13.7416 13.7416 15.0713 15.0713 15.1200 15.1200 16.5384 16.5384 18.1631 18.1631 18.2182 18.2182 18.3566 18.3566 24.0141 24.0141 25.3068 25.3068 k = 0.3333 0.5774 0.0293 ( 651 PWs) bands (ev): 12.7848 12.7848 13.5090 13.5090 13.5103 13.5103 13.7426 13.7426 15.0696 15.0696 15.1174 15.1174 16.5368 16.5368 18.1660 18.1660 18.2205 18.2205 18.3415 18.3415 24.0336 24.0336 25.3077 25.3077 k = 0.3333 0.5774 0.0367 ( 651 PWs) bands (ev): 12.7915 12.7915 13.5104 13.5104 13.5114 13.5114 13.7439 13.7439 15.0674 15.0674 15.1141 15.1141 16.5347 16.5347 18.1697 18.1697 18.2235 18.2235 18.3223 18.3223 24.0584 24.0584 25.3090 25.3090 k = 0.3333 0.5774 0.0440 ( 651 PWs) bands (ev): 12.7996 12.7996 13.5121 13.5121 13.5127 13.5127 13.7455 13.7455 15.0648 15.0648 15.1101 15.1101 16.5322 16.5322 18.1741 18.1741 18.2270 18.2270 18.2992 18.2992 24.0885 24.0885 25.3105 25.3105 k = 0.3333 0.5774 0.0513 ( 651 PWs) bands (ev): 12.8092 12.8092 13.5140 13.5140 13.5143 13.5143 13.7473 13.7473 15.0618 15.0618 15.1055 15.1055 16.5293 16.5293 18.1788 18.1788 18.2312 18.2312 18.2728 18.2728 24.1237 24.1237 25.3122 25.3122 k = 0.3333 0.5774 0.0587 ( 651 PWs) bands (ev): 12.8202 12.8202 13.5160 13.5160 13.5163 13.5163 13.7494 13.7494 15.0583 15.0583 15.1002 15.1002 16.5260 16.5260 18.1831 18.1831 18.2359 18.2359 18.2438 18.2438 24.1639 24.1639 25.3143 25.3143 k = 0.3333 0.5774 0.0660 ( 657 PWs) bands (ev): 12.8325 12.8325 13.5179 13.5179 13.5188 13.5188 13.7517 13.7517 15.0542 15.0542 15.0940 15.0940 16.5223 16.5223 18.1820 18.1820 18.2170 18.2170 18.2411 18.2411 24.2088 24.2088 25.3165 25.3165 k = 0.3333 0.5774 0.0733 ( 657 PWs) bands (ev): 12.8463 12.8463 13.5201 13.5201 13.5215 13.5215 13.7541 13.7541 15.0501 15.0501 15.0876 15.0876 16.5183 16.5183 18.1595 18.1595 18.2096 18.2096 18.2468 18.2468 24.2582 24.2582 25.3191 25.3191 k = 0.3333 0.5774 0.0807 ( 651 PWs) bands (ev): 12.8615 12.8615 13.5225 13.5225 13.5246 13.5246 13.7569 13.7569 15.0458 15.0458 15.0809 15.0809 16.5143 16.5143 18.1226 18.1226 18.2145 18.2145 18.2530 18.2530 24.3120 24.3120 25.3219 25.3219 k = 0.3333 0.5774 0.0880 ( 651 PWs) bands (ev): 12.8778 12.8778 13.5249 13.5249 13.5279 13.5279 13.7596 13.7596 15.0411 15.0411 15.0735 15.0735 16.5098 16.5098 18.0805 18.0805 18.2221 18.2221 18.2595 18.2595 24.3699 24.3699 25.3249 25.3249 k = 0.3333 0.5774 0.0953 ( 651 PWs) bands (ev): 12.8955 12.8955 13.5275 13.5275 13.5313 13.5313 13.7624 13.7624 15.0361 15.0361 15.0658 15.0658 16.5051 16.5051 18.0354 18.0354 18.2308 18.2308 18.2665 18.2665 24.4317 24.4317 25.3281 25.3281 k = 0.3333 0.5774 0.1027 ( 645 PWs) bands (ev): 12.9145 12.9145 13.5303 13.5303 13.5349 13.5349 13.7655 13.7655 15.0313 15.0313 15.0580 15.0580 16.5004 16.5004 17.9881 17.9881 18.2402 18.2402 18.2738 18.2738 24.4973 24.4973 25.3316 25.3316 k = 0.3333 0.5774 0.1100 ( 639 PWs) bands (ev): 12.9347 12.9347 13.5333 13.5333 13.5388 13.5388 13.7683 13.7683 15.0261 15.0261 15.0498 15.0498 16.4956 16.4956 17.9387 17.9387 18.2502 18.2502 18.2813 18.2813 24.5664 24.5664 25.3353 25.3353 k = 0.3333 0.5774 0.1173 ( 639 PWs) bands (ev): 12.9558 12.9558 13.5362 13.5362 13.5427 13.5427 13.7711 13.7711 15.0207 15.0207 15.0411 15.0411 16.4907 16.4907 17.8873 17.8873 18.2604 18.2604 18.2891 18.2891 24.6387 24.6387 25.3392 25.3392 k = 0.3333 0.5774 0.1247 ( 639 PWs) bands (ev): 12.9779 12.9779 13.5392 13.5392 13.5467 13.5467 13.7739 13.7739 15.0151 15.0151 15.0323 15.0323 16.4859 16.4859 17.8344 17.8344 18.2709 18.2709 18.2970 18.2970 24.7142 24.7142 25.3432 25.3432 k = 0.3333 0.5774 0.1320 ( 639 PWs) bands (ev): 13.0011 13.0011 13.5422 13.5422 13.5507 13.5507 13.7764 13.7764 15.0095 15.0095 15.0234 15.0234 16.4811 16.4811 17.7803 17.7803 18.2816 18.2816 18.3050 18.3050 24.7927 24.7927 25.3475 25.3475 k = 0.3333 0.5774 0.1393 ( 633 PWs) bands (ev): 13.0252 13.0252 13.5454 13.5454 13.5551 13.5551 13.7788 13.7788 15.0040 15.0040 15.0144 15.0144 16.4766 16.4766 17.7254 17.7254 18.2928 18.2928 18.3135 18.3135 24.8739 24.8739 25.3519 25.3519 k = 0.3333 0.5774 0.1467 ( 633 PWs) bands (ev): 13.0501 13.0501 13.5484 13.5484 13.5593 13.5593 13.7810 13.7810 14.9983 14.9983 15.0054 15.0054 16.4723 16.4723 17.6696 17.6696 18.3037 18.3037 18.3216 18.3216 24.9577 24.9577 25.3564 25.3564 k = 0.3333 0.5774 0.1540 ( 627 PWs) bands (ev): 13.0759 13.0759 13.5516 13.5516 13.5635 13.5635 13.7828 13.7828 14.9930 14.9930 14.9966 14.9966 16.4684 16.4684 17.6137 17.6137 18.3147 18.3147 18.3298 18.3298 25.0440 25.0440 25.3610 25.3610 k = 0.3333 0.5774 0.1614 ( 627 PWs) bands (ev): 13.1024 13.1024 13.5546 13.5546 13.5677 13.5677 13.7842 13.7842 14.9875 14.9875 14.9876 14.9876 16.4649 16.4649 17.5572 17.5572 18.3255 18.3255 18.3379 18.3379 25.1325 25.1325 25.3657 25.3657 k = 0.3333 0.5774 0.1687 ( 627 PWs) bands (ev): 13.1295 13.1295 13.5576 13.5576 13.5719 13.5719 13.7852 13.7852 14.9788 14.9788 14.9822 14.9822 16.4618 16.4618 17.5005 17.5005 18.3362 18.3362 18.3458 18.3458 25.2230 25.2230 25.3705 25.3705 k = 0.3333 0.5774 0.1760 ( 642 PWs) bands (ev): 13.1568 13.1568 13.5601 13.5601 13.5756 13.5756 13.7851 13.7851 14.9699 14.9699 14.9766 14.9766 16.4591 16.4591 17.4438 17.4438 18.3464 18.3464 18.3533 18.3533 25.3153 25.3153 25.3752 25.3752 k = 0.3333 0.5774 0.1834 ( 642 PWs) bands (ev): 13.1849 13.1849 13.5629 13.5629 13.5797 13.5797 13.7850 13.7850 14.9614 14.9614 14.9716 14.9716 16.4574 16.4574 17.3877 17.3877 18.3566 18.3566 18.3609 18.3609 25.3801 25.3801 25.4034 25.4034 k = 0.3333 0.5774 0.1907 ( 645 PWs) bands (ev): 13.2133 13.2133 13.5655 13.5655 13.5835 13.5835 13.7842 13.7842 14.9532 14.9532 14.9666 14.9666 16.4564 16.4564 17.3322 17.3322 18.3664 18.3664 18.3682 18.3682 25.3848 25.3848 25.4202 25.4202 k = 0.3333 0.5774 0.1980 ( 645 PWs) bands (ev): 13.2420 13.2420 13.5682 13.5682 13.5874 13.5874 13.7828 13.7828 14.9453 14.9453 14.9620 14.9620 16.4563 16.4563 17.2774 17.2774 18.3753 18.3753 18.3760 18.3760 25.3896 25.3896 25.4257 25.4257 k = 0.3333 0.5774 0.2054 ( 645 PWs) bands (ev): 13.2708 13.2708 13.5707 13.5707 13.5911 13.5911 13.7805 13.7805 14.9377 14.9377 14.9575 14.9575 16.4572 16.4572 17.2236 17.2236 18.3821 18.3821 18.3853 18.3853 25.3942 25.3942 25.4307 25.4307 k = 0.3333 0.5774 0.2127 ( 645 PWs) bands (ev): 13.2997 13.2997 13.5732 13.5732 13.5947 13.5947 13.7773 13.7773 14.9306 14.9306 14.9533 14.9533 16.4591 16.4591 17.1710 17.1710 18.3886 18.3886 18.3940 18.3940 25.3987 25.3987 25.4354 25.4354 k = 0.3333 0.5774 0.2200 ( 645 PWs) bands (ev): 13.3286 13.3286 13.5755 13.5755 13.5980 13.5980 13.7732 13.7732 14.9238 14.9238 14.9493 14.9493 16.4623 16.4623 17.1196 17.1196 18.3947 18.3947 18.4023 18.4023 25.4031 25.4031 25.4399 25.4399 k = 0.3333 0.5774 0.2274 ( 645 PWs) bands (ev): 13.3572 13.3572 13.5776 13.5776 13.6012 13.6012 13.7681 13.7681 14.9174 14.9174 14.9457 14.9457 16.4667 16.4667 17.0697 17.0697 18.4005 18.4005 18.4101 18.4101 25.4073 25.4073 25.4443 25.4443 k = 0.3333 0.5774 0.2347 ( 645 PWs) bands (ev): 13.3856 13.3856 13.5796 13.5796 13.6042 13.6042 13.7619 13.7619 14.9115 14.9115 14.9423 14.9423 16.4726 16.4726 17.0214 17.0214 18.4058 18.4058 18.4173 18.4173 25.4112 25.4112 25.4484 25.4484 k = 0.3333 0.5774 0.2420 ( 645 PWs) bands (ev): 13.4136 13.4136 13.5814 13.5814 13.6069 13.6069 13.7547 13.7547 14.9061 14.9061 14.9392 14.9392 16.4799 16.4799 16.9748 16.9748 18.4107 18.4107 18.4240 18.4240 25.4149 25.4149 25.4522 25.4522 k = 0.3333 0.5774 0.2494 ( 645 PWs) bands (ev): 13.4411 13.4411 13.5830 13.5830 13.6094 13.6094 13.7462 13.7462 14.9012 14.9012 14.9364 14.9364 16.4887 16.4887 16.9302 16.9302 18.4151 18.4151 18.4300 18.4300 25.4183 25.4183 25.4557 25.4557 k = 0.3333 0.5774 0.2567 ( 645 PWs) bands (ev): 13.4680 13.4680 13.5845 13.5845 13.6117 13.6117 13.7365 13.7365 14.8969 14.8969 14.9340 14.9340 16.4992 16.4992 16.8876 16.8876 18.4191 18.4191 18.4354 18.4354 25.4214 25.4214 25.4589 25.4589 k = 0.3333 0.5774 0.2640 ( 648 PWs) bands (ev): 13.4942 13.4942 13.5857 13.5857 13.6136 13.6136 13.7252 13.7252 14.8930 14.8930 14.9318 14.9318 16.5113 16.5113 16.8473 16.8473 18.4224 18.4224 18.4400 18.4400 25.4242 25.4242 25.4617 25.4617 k = 0.3333 0.5774 0.2714 ( 648 PWs) bands (ev): 13.5195 13.5195 13.5868 13.5868 13.6152 13.6152 13.7130 13.7130 14.8898 14.8898 14.9300 14.9300 16.5250 16.5250 16.8094 16.8094 18.4254 18.4254 18.4440 18.4440 25.4265 25.4265 25.4642 25.4642 k = 0.3333 0.5774 0.2787 ( 645 PWs) bands (ev): 13.5440 13.5440 13.5877 13.5877 13.6166 13.6166 13.6996 13.6996 14.8871 14.8871 14.9285 14.9285 16.5401 16.5401 16.7743 16.7743 18.4280 18.4280 18.4475 18.4475 25.4285 25.4285 25.4662 25.4662 k = 0.3333 0.5774 0.2860 ( 642 PWs) bands (ev): 13.5674 13.5674 13.5884 13.5884 13.6178 13.6178 13.6848 13.6848 14.8850 14.8850 14.9273 14.9273 16.5564 16.5564 16.7423 16.7423 18.4302 18.4302 18.4503 18.4503 25.4300 25.4300 25.4678 25.4678 k = 0.3333 0.5774 0.2934 ( 642 PWs) bands (ev): 13.5889 13.5889 13.5897 13.5897 13.6185 13.6185 13.6687 13.6687 14.8835 14.8835 14.9265 14.9265 16.5727 16.5727 16.7147 16.7147 18.4315 18.4315 18.4522 18.4522 25.4312 25.4312 25.4689 25.4689 k = 0.3333 0.5774 0.3007 ( 642 PWs) bands (ev): 13.5892 13.5892 13.6103 13.6103 13.6191 13.6191 13.6517 13.6517 14.8826 14.8826 14.9260 14.9260 16.5866 16.5866 16.6940 16.6940 18.4323 18.4323 18.4533 18.4533 25.4318 25.4318 25.4696 25.4696 k = 0.3333 0.5774 0.3080 ( 642 PWs) bands (ev): 13.5893 13.5893 13.6190 13.6190 13.6250 13.6250 13.6385 13.6385 14.8823 14.8823 14.9258 14.9258 16.5927 16.5927 16.6857 16.6857 18.4326 18.4326 18.4536 18.4536 25.4321 25.4321 25.4699 25.4699 Writing output data file Fe.save init_run : 0.07s CPU 0.23s WALL ( 1 calls) electrons : 35.50s CPU 36.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 35.49s CPU 36.74s 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 : 0.03s CPU 0.01s WALL ( 561 calls) cegterg : 31.20s CPU 32.03s WALL ( 576 calls) Called by sum_band: Called by *egterg: h_psi : 14.56s CPU 15.15s WALL ( 7199 calls) s_psi : 1.01s CPU 0.99s WALL ( 7199 calls) g_psi : 0.03s CPU 0.03s WALL ( 6062 calls) cdiaghg : 16.16s CPU 16.51s WALL ( 6623 calls) cegterg:over : 0.99s CPU 1.06s WALL ( 6062 calls) cegterg:upda : 0.66s CPU 0.68s WALL ( 6062 calls) cegterg:last : 0.37s CPU 0.41s WALL ( 1644 calls) cdiaghg:chol : 0.68s CPU 0.85s WALL ( 6623 calls) cdiaghg:inve : 0.25s CPU 0.30s WALL ( 6623 calls) cdiaghg:para : 1.04s CPU 1.07s WALL ( 13246 calls) Called by h_psi: h_psi:vloc : 12.24s CPU 12.80s WALL ( 7199 calls) h_psi:vnl : 2.29s CPU 2.32s WALL ( 7199 calls) add_vuspsi : 1.42s CPU 1.37s WALL ( 7199 calls) General routines calbec : 0.86s CPU 0.93s WALL ( 7199 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.76s CPU 12.19s WALL ( 499032 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.13s WALL ( 1122 calls) Parallel routines fft_scatter : 7.78s CPU 8.17s WALL ( 499055 calls) PWSCF : 43.40s CPU 57.61s WALL This run was terminated on: 18:15:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=