Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:44:12 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: ./BPt.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 13 4 1125 273 48 Max 35 14 5 1129 289 53 Sum 1201 475 151 40539 10155 1811 bravais-lattice index = 14 lattice parameter (alat) = 6.3457 a.u. unit-cell volume = 267.4241 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.345700 celldm(2)= 1.000000 celldm(3)= 1.208457 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 1.208457 ) 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 0.827501 ) PseudoPot. # 1 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) Pt 10.00 195.08400 Pt( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6042287 ) 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 ) ( 0.6042287 ) 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 ) ( -0.6042287 ) 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 ) ( -0.6042287 ) 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 ) ( 0.6042287 ) 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 ) ( 0.6042287 ) 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 ) ( 0.6042287 ) 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 ) ( -0.6042287 ) 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 ) ( 0.6042287 ) 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 ) ( 0.6042287 ) 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 ) ( -0.6042287 ) 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 ) ( -0.6042287 ) 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= 426 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0090909 0.0052486 -0.0000000), wk = 0.0023474 k( 3) = ( 0.0181818 0.0104973 -0.0000000), wk = 0.0023474 k( 4) = ( 0.0272727 0.0157459 -0.0000000), wk = 0.0023474 k( 5) = ( 0.0363636 0.0209946 -0.0000000), wk = 0.0023474 k( 6) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0545455 0.0314918 -0.0000000), wk = 0.0023474 k( 8) = ( 0.0636364 0.0367405 -0.0000000), wk = 0.0023474 k( 9) = ( 0.0727273 0.0419891 -0.0000000), wk = 0.0023474 k( 10) = ( 0.0818182 0.0472377 -0.0000000), wk = 0.0023474 k( 11) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0023474 k( 12) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0023474 k( 13) = ( 0.1090909 0.0629837 -0.0000000), wk = 0.0023474 k( 14) = ( 0.1181818 0.0682323 -0.0000000), wk = 0.0023474 k( 15) = ( 0.1272727 0.0734809 -0.0000000), wk = 0.0023474 k( 16) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0023474 k( 17) = ( 0.1454545 0.0839782 -0.0000000), wk = 0.0023474 k( 18) = ( 0.1545455 0.0892269 -0.0000000), wk = 0.0023474 k( 19) = ( 0.1636364 0.0944755 -0.0000000), wk = 0.0023474 k( 20) = ( 0.1727273 0.0997241 -0.0000000), wk = 0.0023474 k( 21) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0023474 k( 22) = ( 0.1909091 0.1102214 -0.0000000), wk = 0.0023474 k( 23) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0023474 k( 24) = ( 0.2090909 0.1207187 -0.0000000), wk = 0.0023474 k( 25) = ( 0.2181818 0.1259673 -0.0000000), wk = 0.0023474 k( 26) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0023474 k( 27) = ( 0.2363636 0.1364646 -0.0000000), wk = 0.0023474 k( 28) = ( 0.2454545 0.1417133 -0.0000000), wk = 0.0023474 k( 29) = ( 0.2545455 0.1469619 -0.0000000), wk = 0.0023474 k( 30) = ( 0.2636364 0.1522105 -0.0000000), wk = 0.0023474 k( 31) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0023474 k( 32) = ( 0.2818182 0.1627078 -0.0000000), wk = 0.0023474 k( 33) = ( 0.2909091 0.1679564 -0.0000000), wk = 0.0023474 k( 34) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0023474 k( 35) = ( 0.3090909 0.1784537 -0.0000000), wk = 0.0023474 k( 36) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0023474 k( 37) = ( 0.3272727 0.1889510 -0.0000000), wk = 0.0023474 k( 38) = ( 0.3363636 0.1941996 -0.0000000), wk = 0.0023474 k( 39) = ( 0.3454546 0.1994483 -0.0000000), wk = 0.0023474 k( 40) = ( 0.3545454 0.2046969 -0.0000000), wk = 0.0023474 k( 41) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0023474 k( 42) = ( 0.3727273 0.2151942 -0.0000000), wk = 0.0023474 k( 43) = ( 0.3818182 0.2204428 -0.0000000), wk = 0.0023474 k( 44) = ( 0.3909091 0.2256915 -0.0000000), wk = 0.0023474 k( 45) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0023474 k( 46) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0023474 k( 47) = ( 0.4181818 0.2414374 -0.0000000), wk = 0.0023474 k( 48) = ( 0.4272727 0.2466860 -0.0000000), wk = 0.0023474 k( 49) = ( 0.4363636 0.2519347 -0.0000000), wk = 0.0023474 k( 50) = ( 0.4454546 0.2571833 -0.0000000), wk = 0.0023474 k( 51) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0023474 k( 52) = ( 0.4636364 0.2676806 -0.0000000), wk = 0.0023474 k( 53) = ( 0.4727273 0.2729292 -0.0000000), wk = 0.0023474 k( 54) = ( 0.4818182 0.2781779 -0.0000000), wk = 0.0023474 k( 55) = ( 0.4909091 0.2834265 -0.0000000), wk = 0.0023474 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023474 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023474 k( 58) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0023474 k( 59) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0023474 k( 60) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0023474 k( 61) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0023474 k( 62) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0023474 k( 63) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0023474 k( 64) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0023474 k( 65) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0023474 k( 66) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0023474 k( 67) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0023474 k( 68) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0023474 k( 69) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0023474 k( 70) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0023474 k( 71) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0023474 k( 72) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0023474 k( 73) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0023474 k( 74) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0023474 k( 75) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0023474 k( 76) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0023474 k( 77) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0023474 k( 78) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0023474 k( 79) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0023474 k( 80) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0023474 k( 81) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0023474 k( 82) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0023474 k( 83) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0023474 k( 84) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0023474 k( 85) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0023474 k( 86) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0023474 k( 87) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0023474 k( 88) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0023474 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023474 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023474 k( 91) = ( 0.3280423 0.5681860 -0.0000000), wk = 0.0023474 k( 92) = ( 0.3227513 0.5590217 -0.0000000), wk = 0.0023474 k( 93) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0023474 k( 94) = ( 0.3121693 0.5406931 -0.0000000), wk = 0.0023474 k( 95) = ( 0.3068783 0.5315288 -0.0000000), wk = 0.0023474 k( 96) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0023474 k( 97) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0023474 k( 98) = ( 0.2910053 0.5040359 -0.0000000), wk = 0.0023474 k( 99) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0023474 k( 100) = ( 0.2804233 0.4857074 -0.0000000), wk = 0.0023474 k( 101) = ( 0.2751323 0.4765431 -0.0000000), wk = 0.0023474 k( 102) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0023474 k( 103) = ( 0.2645503 0.4582145 -0.0000000), wk = 0.0023474 k( 104) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0023474 k( 105) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0023474 k( 106) = ( 0.2486772 0.4307216 -0.0000000), wk = 0.0023474 k( 107) = ( 0.2433862 0.4215573 -0.0000000), wk = 0.0023474 k( 108) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0023474 k( 109) = ( 0.2328042 0.4032288 -0.0000000), wk = 0.0023474 k( 110) = ( 0.2275132 0.3940645 -0.0000000), wk = 0.0023474 k( 111) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0023474 k( 112) = ( 0.2169312 0.3757359 -0.0000000), wk = 0.0023474 k( 113) = ( 0.2116402 0.3665716 -0.0000000), wk = 0.0023474 k( 114) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0023474 k( 115) = ( 0.2010582 0.3482430 -0.0000000), wk = 0.0023474 k( 116) = ( 0.1957672 0.3390787 -0.0000000), wk = 0.0023474 k( 117) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0023474 k( 118) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0023474 k( 119) = ( 0.1798942 0.3115859 -0.0000000), wk = 0.0023474 k( 120) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0023474 k( 121) = ( 0.1693122 0.2932573 -0.0000000), wk = 0.0023474 k( 122) = ( 0.1640212 0.2840930 -0.0000000), wk = 0.0023474 k( 123) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0023474 k( 124) = ( 0.1534391 0.2657644 -0.0000000), wk = 0.0023474 k( 125) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0023474 k( 126) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0023474 k( 127) = ( 0.1375661 0.2382715 -0.0000000), wk = 0.0023474 k( 128) = ( 0.1322751 0.2291072 -0.0000000), wk = 0.0023474 k( 129) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0023474 k( 130) = ( 0.1216931 0.2107787 -0.0000000), wk = 0.0023474 k( 131) = ( 0.1164021 0.2016144 -0.0000000), wk = 0.0023474 k( 132) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0023474 k( 133) = ( 0.1058201 0.1832858 -0.0000000), wk = 0.0023474 k( 134) = ( 0.1005291 0.1741215 -0.0000000), wk = 0.0023474 k( 135) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0023474 k( 136) = ( 0.0899471 0.1557929 -0.0000000), wk = 0.0023474 k( 137) = ( 0.0846561 0.1466286 -0.0000000), wk = 0.0023474 k( 138) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0023474 k( 139) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0023474 k( 140) = ( 0.0687831 0.1191358 -0.0000000), wk = 0.0023474 k( 141) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0023474 k( 142) = ( 0.0582011 0.1008072 -0.0000000), wk = 0.0023474 k( 143) = ( 0.0529101 0.0916429 -0.0000000), wk = 0.0023474 k( 144) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0023474 k( 145) = ( 0.0423280 0.0733143 -0.0000000), wk = 0.0023474 k( 146) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0023474 k( 147) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0023474 k( 148) = ( 0.0264550 0.0458215 -0.0000000), wk = 0.0023474 k( 149) = ( 0.0211640 0.0366572 -0.0000000), wk = 0.0023474 k( 150) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0023474 k( 151) = ( 0.0105820 0.0183286 -0.0000000), wk = 0.0023474 k( 152) = ( 0.0052910 0.0091643 -0.0000000), wk = 0.0023474 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 155) = ( 0.0000000 0.0000000 0.0106090), wk = 0.0023474 k( 156) = ( 0.0000000 0.0000000 0.0212180), wk = 0.0023474 k( 157) = ( 0.0000000 0.0000000 0.0318270), wk = 0.0023474 k( 158) = ( 0.0000000 0.0000000 0.0424360), wk = 0.0023474 k( 159) = ( 0.0000000 0.0000000 0.0530449), wk = 0.0023474 k( 160) = ( 0.0000000 0.0000000 0.0636539), wk = 0.0023474 k( 161) = ( 0.0000000 0.0000000 0.0742629), wk = 0.0023474 k( 162) = ( 0.0000000 0.0000000 0.0848719), wk = 0.0023474 k( 163) = ( 0.0000000 0.0000000 0.0954809), wk = 0.0023474 k( 164) = ( 0.0000000 0.0000000 0.1060899), wk = 0.0023474 k( 165) = ( 0.0000000 0.0000000 0.1166989), wk = 0.0023474 k( 166) = ( 0.0000000 0.0000000 0.1273079), wk = 0.0023474 k( 167) = ( 0.0000000 0.0000000 0.1379169), wk = 0.0023474 k( 168) = ( 0.0000000 0.0000000 0.1485259), wk = 0.0023474 k( 169) = ( 0.0000000 0.0000000 0.1591349), wk = 0.0023474 k( 170) = ( 0.0000000 0.0000000 0.1697438), wk = 0.0023474 k( 171) = ( 0.0000000 0.0000000 0.1803528), wk = 0.0023474 k( 172) = ( 0.0000000 0.0000000 0.1909618), wk = 0.0023474 k( 173) = ( 0.0000000 0.0000000 0.2015708), wk = 0.0023474 k( 174) = ( 0.0000000 0.0000000 0.2121798), wk = 0.0023474 k( 175) = ( 0.0000000 0.0000000 0.2227888), wk = 0.0023474 k( 176) = ( 0.0000000 0.0000000 0.2333978), wk = 0.0023474 k( 177) = ( 0.0000000 0.0000000 0.2440068), wk = 0.0023474 k( 178) = ( 0.0000000 0.0000000 0.2546158), wk = 0.0023474 k( 179) = ( 0.0000000 0.0000000 0.2652248), wk = 0.0023474 k( 180) = ( 0.0000000 0.0000000 0.2758337), wk = 0.0023474 k( 181) = ( 0.0000000 0.0000000 0.2864427), wk = 0.0023474 k( 182) = ( 0.0000000 0.0000000 0.2970517), wk = 0.0023474 k( 183) = ( 0.0000000 0.0000000 0.3076607), wk = 0.0023474 k( 184) = ( 0.0000000 0.0000000 0.3182697), wk = 0.0023474 k( 185) = ( 0.0000000 0.0000000 0.3288787), wk = 0.0023474 k( 186) = ( 0.0000000 0.0000000 0.3394877), wk = 0.0023474 k( 187) = ( 0.0000000 0.0000000 0.3500967), wk = 0.0023474 k( 188) = ( 0.0000000 0.0000000 0.3607057), wk = 0.0023474 k( 189) = ( 0.0000000 0.0000000 0.3713147), wk = 0.0023474 k( 190) = ( 0.0000000 0.0000000 0.3819236), wk = 0.0023474 k( 191) = ( 0.0000000 0.0000000 0.3925326), wk = 0.0023474 k( 192) = ( 0.0000000 0.0000000 0.4031416), wk = 0.0023474 k( 193) = ( 0.0000000 0.0000000 0.4137506), wk = 0.0023474 k( 194) = ( 0.0000000 0.0000000 0.4137506), wk = 0.0023474 k( 195) = ( 0.0090909 0.0052486 0.4137506), wk = 0.0023474 k( 196) = ( 0.0181818 0.0104973 0.4137506), wk = 0.0023474 k( 197) = ( 0.0272727 0.0157459 0.4137506), wk = 0.0023474 k( 198) = ( 0.0363636 0.0209946 0.4137506), wk = 0.0023474 k( 199) = ( 0.0454546 0.0262432 0.4137506), wk = 0.0023474 k( 200) = ( 0.0545455 0.0314918 0.4137506), wk = 0.0023474 k( 201) = ( 0.0636364 0.0367405 0.4137506), wk = 0.0023474 k( 202) = ( 0.0727273 0.0419891 0.4137506), wk = 0.0023474 k( 203) = ( 0.0818182 0.0472377 0.4137506), wk = 0.0023474 k( 204) = ( 0.0909091 0.0524864 0.4137506), wk = 0.0023474 k( 205) = ( 0.1000000 0.0577350 0.4137506), wk = 0.0023474 k( 206) = ( 0.1090909 0.0629837 0.4137506), wk = 0.0023474 k( 207) = ( 0.1181818 0.0682323 0.4137506), wk = 0.0023474 k( 208) = ( 0.1272727 0.0734809 0.4137506), wk = 0.0023474 k( 209) = ( 0.1363636 0.0787296 0.4137506), wk = 0.0023474 k( 210) = ( 0.1454545 0.0839782 0.4137506), wk = 0.0023474 k( 211) = ( 0.1545455 0.0892269 0.4137506), wk = 0.0023474 k( 212) = ( 0.1636364 0.0944755 0.4137506), wk = 0.0023474 k( 213) = ( 0.1727273 0.0997241 0.4137506), wk = 0.0023474 k( 214) = ( 0.1818182 0.1049728 0.4137506), wk = 0.0023474 k( 215) = ( 0.1909091 0.1102214 0.4137506), wk = 0.0023474 k( 216) = ( 0.2000000 0.1154701 0.4137506), wk = 0.0023474 k( 217) = ( 0.2090909 0.1207187 0.4137506), wk = 0.0023474 k( 218) = ( 0.2181818 0.1259673 0.4137506), wk = 0.0023474 k( 219) = ( 0.2272727 0.1312160 0.4137506), wk = 0.0023474 k( 220) = ( 0.2363636 0.1364646 0.4137506), wk = 0.0023474 k( 221) = ( 0.2454545 0.1417133 0.4137506), wk = 0.0023474 k( 222) = ( 0.2545455 0.1469619 0.4137506), wk = 0.0023474 k( 223) = ( 0.2636364 0.1522105 0.4137506), wk = 0.0023474 k( 224) = ( 0.2727273 0.1574592 0.4137506), wk = 0.0023474 k( 225) = ( 0.2818182 0.1627078 0.4137506), wk = 0.0023474 k( 226) = ( 0.2909091 0.1679564 0.4137506), wk = 0.0023474 k( 227) = ( 0.3000000 0.1732051 0.4137506), wk = 0.0023474 k( 228) = ( 0.3090909 0.1784537 0.4137506), wk = 0.0023474 k( 229) = ( 0.3181818 0.1837024 0.4137506), wk = 0.0023474 k( 230) = ( 0.3272727 0.1889510 0.4137506), wk = 0.0023474 k( 231) = ( 0.3363636 0.1941996 0.4137506), wk = 0.0023474 k( 232) = ( 0.3454546 0.1994483 0.4137506), wk = 0.0023474 k( 233) = ( 0.3545454 0.2046969 0.4137506), wk = 0.0023474 k( 234) = ( 0.3636364 0.2099456 0.4137506), wk = 0.0023474 k( 235) = ( 0.3727273 0.2151942 0.4137506), wk = 0.0023474 k( 236) = ( 0.3818182 0.2204428 0.4137506), wk = 0.0023474 k( 237) = ( 0.3909091 0.2256915 0.4137506), wk = 0.0023474 k( 238) = ( 0.4000000 0.2309401 0.4137506), wk = 0.0023474 k( 239) = ( 0.4090909 0.2361887 0.4137506), wk = 0.0023474 k( 240) = ( 0.4181818 0.2414374 0.4137506), wk = 0.0023474 k( 241) = ( 0.4272727 0.2466860 0.4137506), wk = 0.0023474 k( 242) = ( 0.4363636 0.2519347 0.4137506), wk = 0.0023474 k( 243) = ( 0.4454546 0.2571833 0.4137506), wk = 0.0023474 k( 244) = ( 0.4545455 0.2624319 0.4137506), wk = 0.0023474 k( 245) = ( 0.4636364 0.2676806 0.4137506), wk = 0.0023474 k( 246) = ( 0.4727273 0.2729292 0.4137506), wk = 0.0023474 k( 247) = ( 0.4818182 0.2781779 0.4137506), wk = 0.0023474 k( 248) = ( 0.4909091 0.2834265 0.4137506), wk = 0.0023474 k( 249) = ( 0.5000000 0.2886751 0.4137506), wk = 0.0023474 k( 250) = ( 0.5000000 0.2886751 0.4137506), wk = 0.0023474 k( 251) = ( 0.4947917 0.2976962 0.4137506), wk = 0.0023474 k( 252) = ( 0.4895833 0.3067173 0.4137506), wk = 0.0023474 k( 253) = ( 0.4843750 0.3157384 0.4137506), wk = 0.0023474 k( 254) = ( 0.4791667 0.3247595 0.4137506), wk = 0.0023474 k( 255) = ( 0.4739583 0.3337806 0.4137506), wk = 0.0023474 k( 256) = ( 0.4687500 0.3428017 0.4137506), wk = 0.0023474 k( 257) = ( 0.4635417 0.3518228 0.4137506), wk = 0.0023474 k( 258) = ( 0.4583333 0.3608439 0.4137506), wk = 0.0023474 k( 259) = ( 0.4531250 0.3698650 0.4137506), wk = 0.0023474 k( 260) = ( 0.4479167 0.3788861 0.4137506), wk = 0.0023474 k( 261) = ( 0.4427083 0.3879072 0.4137506), wk = 0.0023474 k( 262) = ( 0.4375000 0.3969283 0.4137506), wk = 0.0023474 k( 263) = ( 0.4322917 0.4059494 0.4137506), wk = 0.0023474 k( 264) = ( 0.4270833 0.4149705 0.4137506), wk = 0.0023474 k( 265) = ( 0.4218750 0.4239916 0.4137506), wk = 0.0023474 k( 266) = ( 0.4166667 0.4330127 0.4137506), wk = 0.0023474 k( 267) = ( 0.4114583 0.4420338 0.4137506), wk = 0.0023474 k( 268) = ( 0.4062500 0.4510549 0.4137506), wk = 0.0023474 k( 269) = ( 0.4010417 0.4600760 0.4137506), wk = 0.0023474 k( 270) = ( 0.3958333 0.4690971 0.4137506), wk = 0.0023474 k( 271) = ( 0.3906250 0.4781182 0.4137506), wk = 0.0023474 k( 272) = ( 0.3854167 0.4871393 0.4137506), wk = 0.0023474 k( 273) = ( 0.3802083 0.4961604 0.4137506), wk = 0.0023474 k( 274) = ( 0.3750000 0.5051815 0.4137506), wk = 0.0023474 k( 275) = ( 0.3697917 0.5142026 0.4137506), wk = 0.0023474 k( 276) = ( 0.3645833 0.5232237 0.4137506), wk = 0.0023474 k( 277) = ( 0.3593750 0.5322448 0.4137506), wk = 0.0023474 k( 278) = ( 0.3541667 0.5412659 0.4137506), wk = 0.0023474 k( 279) = ( 0.3489583 0.5502870 0.4137506), wk = 0.0023474 k( 280) = ( 0.3437500 0.5593081 0.4137506), wk = 0.0023474 k( 281) = ( 0.3385417 0.5683292 0.4137506), wk = 0.0023474 k( 282) = ( 0.3333333 0.5773503 0.4137506), wk = 0.0023474 k( 283) = ( 0.3333333 0.5773503 0.4137506), wk = 0.0023474 k( 284) = ( 0.3280423 0.5681860 0.4137506), wk = 0.0023474 k( 285) = ( 0.3227513 0.5590217 0.4137506), wk = 0.0023474 k( 286) = ( 0.3174603 0.5498574 0.4137506), wk = 0.0023474 k( 287) = ( 0.3121693 0.5406931 0.4137506), wk = 0.0023474 k( 288) = ( 0.3068783 0.5315288 0.4137506), wk = 0.0023474 k( 289) = ( 0.3015873 0.5223645 0.4137506), wk = 0.0023474 k( 290) = ( 0.2962963 0.5132002 0.4137506), wk = 0.0023474 k( 291) = ( 0.2910053 0.5040359 0.4137506), wk = 0.0023474 k( 292) = ( 0.2857143 0.4948717 0.4137506), wk = 0.0023474 k( 293) = ( 0.2804233 0.4857074 0.4137506), wk = 0.0023474 k( 294) = ( 0.2751323 0.4765431 0.4137506), wk = 0.0023474 k( 295) = ( 0.2698413 0.4673788 0.4137506), wk = 0.0023474 k( 296) = ( 0.2645503 0.4582145 0.4137506), wk = 0.0023474 k( 297) = ( 0.2592593 0.4490502 0.4137506), wk = 0.0023474 k( 298) = ( 0.2539683 0.4398859 0.4137506), wk = 0.0023474 k( 299) = ( 0.2486772 0.4307216 0.4137506), wk = 0.0023474 k( 300) = ( 0.2433862 0.4215573 0.4137506), wk = 0.0023474 k( 301) = ( 0.2380952 0.4123931 0.4137506), wk = 0.0023474 k( 302) = ( 0.2328042 0.4032288 0.4137506), wk = 0.0023474 k( 303) = ( 0.2275132 0.3940645 0.4137506), wk = 0.0023474 k( 304) = ( 0.2222222 0.3849002 0.4137506), wk = 0.0023474 k( 305) = ( 0.2169312 0.3757359 0.4137506), wk = 0.0023474 k( 306) = ( 0.2116402 0.3665716 0.4137506), wk = 0.0023474 k( 307) = ( 0.2063492 0.3574073 0.4137506), wk = 0.0023474 k( 308) = ( 0.2010582 0.3482430 0.4137506), wk = 0.0023474 k( 309) = ( 0.1957672 0.3390787 0.4137506), wk = 0.0023474 k( 310) = ( 0.1904762 0.3299144 0.4137506), wk = 0.0023474 k( 311) = ( 0.1851852 0.3207502 0.4137506), wk = 0.0023474 k( 312) = ( 0.1798942 0.3115859 0.4137506), wk = 0.0023474 k( 313) = ( 0.1746032 0.3024216 0.4137506), wk = 0.0023474 k( 314) = ( 0.1693122 0.2932573 0.4137506), wk = 0.0023474 k( 315) = ( 0.1640212 0.2840930 0.4137506), wk = 0.0023474 k( 316) = ( 0.1587302 0.2749287 0.4137506), wk = 0.0023474 k( 317) = ( 0.1534391 0.2657644 0.4137506), wk = 0.0023474 k( 318) = ( 0.1481482 0.2566001 0.4137506), wk = 0.0023474 k( 319) = ( 0.1428571 0.2474358 0.4137506), wk = 0.0023474 k( 320) = ( 0.1375661 0.2382715 0.4137506), wk = 0.0023474 k( 321) = ( 0.1322751 0.2291072 0.4137506), wk = 0.0023474 k( 322) = ( 0.1269841 0.2199430 0.4137506), wk = 0.0023474 k( 323) = ( 0.1216931 0.2107787 0.4137506), wk = 0.0023474 k( 324) = ( 0.1164021 0.2016144 0.4137506), wk = 0.0023474 k( 325) = ( 0.1111111 0.1924501 0.4137506), wk = 0.0023474 k( 326) = ( 0.1058201 0.1832858 0.4137506), wk = 0.0023474 k( 327) = ( 0.1005291 0.1741215 0.4137506), wk = 0.0023474 k( 328) = ( 0.0952381 0.1649572 0.4137506), wk = 0.0023474 k( 329) = ( 0.0899471 0.1557929 0.4137506), wk = 0.0023474 k( 330) = ( 0.0846561 0.1466286 0.4137506), wk = 0.0023474 k( 331) = ( 0.0793651 0.1374644 0.4137506), wk = 0.0023474 k( 332) = ( 0.0740741 0.1283001 0.4137506), wk = 0.0023474 k( 333) = ( 0.0687831 0.1191358 0.4137506), wk = 0.0023474 k( 334) = ( 0.0634921 0.1099715 0.4137506), wk = 0.0023474 k( 335) = ( 0.0582011 0.1008072 0.4137506), wk = 0.0023474 k( 336) = ( 0.0529101 0.0916429 0.4137506), wk = 0.0023474 k( 337) = ( 0.0476191 0.0824786 0.4137506), wk = 0.0023474 k( 338) = ( 0.0423280 0.0733143 0.4137506), wk = 0.0023474 k( 339) = ( 0.0370370 0.0641500 0.4137506), wk = 0.0023474 k( 340) = ( 0.0317460 0.0549857 0.4137506), wk = 0.0023474 k( 341) = ( 0.0264550 0.0458215 0.4137506), wk = 0.0023474 k( 342) = ( 0.0211640 0.0366572 0.4137506), wk = 0.0023474 k( 343) = ( 0.0158730 0.0274929 0.4137506), wk = 0.0023474 k( 344) = ( 0.0105820 0.0183286 0.4137506), wk = 0.0023474 k( 345) = ( 0.0052910 0.0091643 0.4137506), wk = 0.0023474 k( 346) = ( 0.0000000 0.0000000 0.4137506), wk = 0.0023474 k( 347) = ( 0.5000000 0.2886751 0.4137506), wk = 0.0023474 k( 348) = ( 0.5000000 0.2886751 0.4031416), wk = 0.0023474 k( 349) = ( 0.5000000 0.2886751 0.3925326), wk = 0.0023474 k( 350) = ( 0.5000000 0.2886751 0.3819236), wk = 0.0023474 k( 351) = ( 0.5000000 0.2886751 0.3713147), wk = 0.0023474 k( 352) = ( 0.5000000 0.2886751 0.3607057), wk = 0.0023474 k( 353) = ( 0.5000000 0.2886751 0.3500967), wk = 0.0023474 k( 354) = ( 0.5000000 0.2886751 0.3394877), wk = 0.0023474 k( 355) = ( 0.5000000 0.2886751 0.3288787), wk = 0.0023474 k( 356) = ( 0.5000000 0.2886751 0.3182697), wk = 0.0023474 k( 357) = ( 0.5000000 0.2886751 0.3076607), wk = 0.0023474 k( 358) = ( 0.5000000 0.2886751 0.2970517), wk = 0.0023474 k( 359) = ( 0.5000000 0.2886751 0.2864427), wk = 0.0023474 k( 360) = ( 0.5000000 0.2886751 0.2758337), wk = 0.0023474 k( 361) = ( 0.5000000 0.2886751 0.2652248), wk = 0.0023474 k( 362) = ( 0.5000000 0.2886751 0.2546158), wk = 0.0023474 k( 363) = ( 0.5000000 0.2886751 0.2440068), wk = 0.0023474 k( 364) = ( 0.5000000 0.2886751 0.2333978), wk = 0.0023474 k( 365) = ( 0.5000000 0.2886751 0.2227888), wk = 0.0023474 k( 366) = ( 0.5000000 0.2886751 0.2121798), wk = 0.0023474 k( 367) = ( 0.5000000 0.2886751 0.2015708), wk = 0.0023474 k( 368) = ( 0.5000000 0.2886751 0.1909618), wk = 0.0023474 k( 369) = ( 0.5000000 0.2886751 0.1803528), wk = 0.0023474 k( 370) = ( 0.5000000 0.2886751 0.1697438), wk = 0.0023474 k( 371) = ( 0.5000000 0.2886751 0.1591349), wk = 0.0023474 k( 372) = ( 0.5000000 0.2886751 0.1485259), wk = 0.0023474 k( 373) = ( 0.5000000 0.2886751 0.1379169), wk = 0.0023474 k( 374) = ( 0.5000000 0.2886751 0.1273079), wk = 0.0023474 k( 375) = ( 0.5000000 0.2886751 0.1166989), wk = 0.0023474 k( 376) = ( 0.5000000 0.2886751 0.1060899), wk = 0.0023474 k( 377) = ( 0.5000000 0.2886751 0.0954809), wk = 0.0023474 k( 378) = ( 0.5000000 0.2886751 0.0848719), wk = 0.0023474 k( 379) = ( 0.5000000 0.2886751 0.0742629), wk = 0.0023474 k( 380) = ( 0.5000000 0.2886751 0.0636539), wk = 0.0023474 k( 381) = ( 0.5000000 0.2886751 0.0530449), wk = 0.0023474 k( 382) = ( 0.5000000 0.2886751 0.0424360), wk = 0.0023474 k( 383) = ( 0.5000000 0.2886751 0.0318270), wk = 0.0023474 k( 384) = ( 0.5000000 0.2886751 0.0212180), wk = 0.0023474 k( 385) = ( 0.5000000 0.2886751 0.0106090), wk = 0.0023474 k( 386) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023474 k( 387) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023474 k( 388) = ( 0.3333333 0.5773503 0.0106090), wk = 0.0023474 k( 389) = ( 0.3333333 0.5773503 0.0212180), wk = 0.0023474 k( 390) = ( 0.3333333 0.5773503 0.0318270), wk = 0.0023474 k( 391) = ( 0.3333333 0.5773503 0.0424360), wk = 0.0023474 k( 392) = ( 0.3333333 0.5773503 0.0530449), wk = 0.0023474 k( 393) = ( 0.3333333 0.5773503 0.0636539), wk = 0.0023474 k( 394) = ( 0.3333333 0.5773503 0.0742629), wk = 0.0023474 k( 395) = ( 0.3333333 0.5773503 0.0848719), wk = 0.0023474 k( 396) = ( 0.3333333 0.5773503 0.0954809), wk = 0.0023474 k( 397) = ( 0.3333333 0.5773503 0.1060899), wk = 0.0023474 k( 398) = ( 0.3333333 0.5773503 0.1166989), wk = 0.0023474 k( 399) = ( 0.3333333 0.5773503 0.1273079), wk = 0.0023474 k( 400) = ( 0.3333333 0.5773503 0.1379169), wk = 0.0023474 k( 401) = ( 0.3333333 0.5773503 0.1485259), wk = 0.0023474 k( 402) = ( 0.3333333 0.5773503 0.1591349), wk = 0.0023474 k( 403) = ( 0.3333333 0.5773503 0.1697438), wk = 0.0023474 k( 404) = ( 0.3333333 0.5773503 0.1803528), wk = 0.0023474 k( 405) = ( 0.3333333 0.5773503 0.1909618), wk = 0.0023474 k( 406) = ( 0.3333333 0.5773503 0.2015708), wk = 0.0023474 k( 407) = ( 0.3333333 0.5773503 0.2121798), wk = 0.0023474 k( 408) = ( 0.3333333 0.5773503 0.2227888), wk = 0.0023474 k( 409) = ( 0.3333333 0.5773503 0.2333978), wk = 0.0023474 k( 410) = ( 0.3333333 0.5773503 0.2440068), wk = 0.0023474 k( 411) = ( 0.3333333 0.5773503 0.2546158), wk = 0.0023474 k( 412) = ( 0.3333333 0.5773503 0.2652248), wk = 0.0023474 k( 413) = ( 0.3333333 0.5773503 0.2758337), wk = 0.0023474 k( 414) = ( 0.3333333 0.5773503 0.2864427), wk = 0.0023474 k( 415) = ( 0.3333333 0.5773503 0.2970517), wk = 0.0023474 k( 416) = ( 0.3333333 0.5773503 0.3076607), wk = 0.0023474 k( 417) = ( 0.3333333 0.5773503 0.3182697), wk = 0.0023474 k( 418) = ( 0.3333333 0.5773503 0.3288787), wk = 0.0023474 k( 419) = ( 0.3333333 0.5773503 0.3394877), wk = 0.0023474 k( 420) = ( 0.3333333 0.5773503 0.3500967), wk = 0.0023474 k( 421) = ( 0.3333333 0.5773503 0.3607057), wk = 0.0023474 k( 422) = ( 0.3333333 0.5773503 0.3713147), wk = 0.0023474 k( 423) = ( 0.3333333 0.5773503 0.3819236), wk = 0.0023474 k( 424) = ( 0.3333333 0.5773503 0.3925326), wk = 0.0023474 k( 425) = ( 0.3333333 0.5773503 0.4031416), wk = 0.0023474 k( 426) = ( 0.3333333 0.5773503 0.4137506), wk = 0.0023474 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0090909 -0.0000000 -0.0000000), wk = 0.0023474 k( 3) = ( 0.0181818 -0.0000000 -0.0000000), wk = 0.0023474 k( 4) = ( 0.0272727 -0.0000000 0.0000000), wk = 0.0023474 k( 5) = ( 0.0363636 -0.0000000 -0.0000000), wk = 0.0023474 k( 6) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0023474 k( 8) = ( 0.0636364 -0.0000000 -0.0000000), wk = 0.0023474 k( 9) = ( 0.0727273 -0.0000000 0.0000000), wk = 0.0023474 k( 10) = ( 0.0818182 -0.0000000 -0.0000000), wk = 0.0023474 k( 11) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0023474 k( 12) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0023474 k( 13) = ( 0.1090909 -0.0000000 -0.0000000), wk = 0.0023474 k( 14) = ( 0.1181818 -0.0000000 0.0000000), wk = 0.0023474 k( 15) = ( 0.1272727 -0.0000000 -0.0000000), wk = 0.0023474 k( 16) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0023474 k( 17) = ( 0.1454545 0.0000000 -0.0000000), wk = 0.0023474 k( 18) = ( 0.1545455 0.0000000 -0.0000000), wk = 0.0023474 k( 19) = ( 0.1636364 -0.0000000 -0.0000000), wk = 0.0023474 k( 20) = ( 0.1727273 0.0000000 -0.0000000), wk = 0.0023474 k( 21) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0023474 k( 22) = ( 0.1909091 0.0000000 -0.0000000), wk = 0.0023474 k( 23) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0023474 k( 24) = ( 0.2090909 0.0000000 -0.0000000), wk = 0.0023474 k( 25) = ( 0.2181818 -0.0000000 -0.0000000), wk = 0.0023474 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0023474 k( 27) = ( 0.2363636 -0.0000000 0.0000000), wk = 0.0023474 k( 28) = ( 0.2454545 -0.0000000 -0.0000000), wk = 0.0023474 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0023474 k( 30) = ( 0.2636364 -0.0000000 -0.0000000), wk = 0.0023474 k( 31) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0023474 k( 32) = ( 0.2818182 -0.0000000 0.0000000), wk = 0.0023474 k( 33) = ( 0.2909091 -0.0000000 -0.0000000), wk = 0.0023474 k( 34) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0023474 k( 35) = ( 0.3090909 -0.0000000 -0.0000000), wk = 0.0023474 k( 36) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0023474 k( 37) = ( 0.3272727 -0.0000000 -0.0000000), wk = 0.0023474 k( 38) = ( 0.3363636 0.0000000 -0.0000000), wk = 0.0023474 k( 39) = ( 0.3454546 0.0000000 0.0000000), wk = 0.0023474 k( 40) = ( 0.3545454 0.0000000 -0.0000000), wk = 0.0023474 k( 41) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0023474 k( 42) = ( 0.3727273 0.0000000 -0.0000000), wk = 0.0023474 k( 43) = ( 0.3818182 0.0000000 -0.0000000), wk = 0.0023474 k( 44) = ( 0.3909091 0.0000000 -0.0000000), wk = 0.0023474 k( 45) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0023474 k( 46) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0023474 k( 47) = ( 0.4181818 0.0000000 -0.0000000), wk = 0.0023474 k( 48) = ( 0.4272727 -0.0000000 -0.0000000), wk = 0.0023474 k( 49) = ( 0.4363636 -0.0000000 -0.0000000), wk = 0.0023474 k( 50) = ( 0.4454546 0.0000000 -0.0000000), wk = 0.0023474 k( 51) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0023474 k( 52) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0023474 k( 53) = ( 0.4727273 -0.0000000 -0.0000000), wk = 0.0023474 k( 54) = ( 0.4818182 0.0000000 -0.0000000), wk = 0.0023474 k( 55) = ( 0.4909091 0.0000000 -0.0000000), wk = 0.0023474 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023474 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023474 k( 58) = ( 0.4947917 0.0104167 -0.0000000), wk = 0.0023474 k( 59) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0023474 k( 60) = ( 0.4843750 0.0312500 -0.0000000), wk = 0.0023474 k( 61) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0023474 k( 62) = ( 0.4739583 0.0520833 -0.0000000), wk = 0.0023474 k( 63) = ( 0.4687500 0.0625000 -0.0000000), wk = 0.0023474 k( 64) = ( 0.4635417 0.0729167 -0.0000000), wk = 0.0023474 k( 65) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0023474 k( 66) = ( 0.4531250 0.0937500 -0.0000000), wk = 0.0023474 k( 67) = ( 0.4479167 0.1041667 -0.0000000), wk = 0.0023474 k( 68) = ( 0.4427083 0.1145833 -0.0000000), wk = 0.0023474 k( 69) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0023474 k( 70) = ( 0.4322917 0.1354167 -0.0000000), wk = 0.0023474 k( 71) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0023474 k( 72) = ( 0.4218750 0.1562500 0.0000000), wk = 0.0023474 k( 73) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0023474 k( 74) = ( 0.4114583 0.1770833 -0.0000000), wk = 0.0023474 k( 75) = ( 0.4062500 0.1875000 -0.0000000), wk = 0.0023474 k( 76) = ( 0.4010417 0.1979167 -0.0000000), wk = 0.0023474 k( 77) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0023474 k( 78) = ( 0.3906250 0.2187500 0.0000000), wk = 0.0023474 k( 79) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0023474 k( 80) = ( 0.3802083 0.2395833 0.0000000), wk = 0.0023474 k( 81) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0023474 k( 82) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0023474 k( 83) = ( 0.3645833 0.2708333 -0.0000000), wk = 0.0023474 k( 84) = ( 0.3593750 0.2812500 0.0000000), wk = 0.0023474 k( 85) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0023474 k( 86) = ( 0.3489583 0.3020833 0.0000000), wk = 0.0023474 k( 87) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0023474 k( 88) = ( 0.3385417 0.3229167 -0.0000000), wk = 0.0023474 k( 89) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023474 k( 90) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023474 k( 91) = ( 0.3280423 0.3280423 0.0000000), wk = 0.0023474 k( 92) = ( 0.3227513 0.3227513 -0.0000000), wk = 0.0023474 k( 93) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0023474 k( 94) = ( 0.3121693 0.3121693 -0.0000000), wk = 0.0023474 k( 95) = ( 0.3068783 0.3068783 0.0000000), wk = 0.0023474 k( 96) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0023474 k( 97) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0023474 k( 98) = ( 0.2910053 0.2910053 -0.0000000), wk = 0.0023474 k( 99) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0023474 k( 100) = ( 0.2804233 0.2804233 0.0000000), wk = 0.0023474 k( 101) = ( 0.2751323 0.2751323 0.0000000), wk = 0.0023474 k( 102) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0023474 k( 103) = ( 0.2645503 0.2645503 0.0000000), wk = 0.0023474 k( 104) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0023474 k( 105) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0023474 k( 106) = ( 0.2486772 0.2486772 0.0000000), wk = 0.0023474 k( 107) = ( 0.2433862 0.2433862 -0.0000000), wk = 0.0023474 k( 108) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0023474 k( 109) = ( 0.2328042 0.2328042 0.0000000), wk = 0.0023474 k( 110) = ( 0.2275132 0.2275132 -0.0000000), wk = 0.0023474 k( 111) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0023474 k( 112) = ( 0.2169312 0.2169312 -0.0000000), wk = 0.0023474 k( 113) = ( 0.2116402 0.2116402 0.0000000), wk = 0.0023474 k( 114) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0023474 k( 115) = ( 0.2010582 0.2010582 0.0000000), wk = 0.0023474 k( 116) = ( 0.1957672 0.1957672 0.0000000), wk = 0.0023474 k( 117) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0023474 k( 118) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0023474 k( 119) = ( 0.1798942 0.1798942 -0.0000000), wk = 0.0023474 k( 120) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0023474 k( 121) = ( 0.1693122 0.1693122 0.0000000), wk = 0.0023474 k( 122) = ( 0.1640212 0.1640212 0.0000000), wk = 0.0023474 k( 123) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0023474 k( 124) = ( 0.1534391 0.1534391 -0.0000000), wk = 0.0023474 k( 125) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0023474 k( 126) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0023474 k( 127) = ( 0.1375661 0.1375661 0.0000000), wk = 0.0023474 k( 128) = ( 0.1322751 0.1322751 0.0000000), wk = 0.0023474 k( 129) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0023474 k( 130) = ( 0.1216931 0.1216931 -0.0000000), wk = 0.0023474 k( 131) = ( 0.1164021 0.1164021 0.0000000), wk = 0.0023474 k( 132) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0023474 k( 133) = ( 0.1058201 0.1058201 0.0000000), wk = 0.0023474 k( 134) = ( 0.1005291 0.1005291 0.0000000), wk = 0.0023474 k( 135) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0023474 k( 136) = ( 0.0899471 0.0899471 -0.0000000), wk = 0.0023474 k( 137) = ( 0.0846561 0.0846561 0.0000000), wk = 0.0023474 k( 138) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0023474 k( 139) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0023474 k( 140) = ( 0.0687831 0.0687831 0.0000000), wk = 0.0023474 k( 141) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0023474 k( 142) = ( 0.0582011 0.0582011 0.0000000), wk = 0.0023474 k( 143) = ( 0.0529101 0.0529101 0.0000000), wk = 0.0023474 k( 144) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0023474 k( 145) = ( 0.0423280 0.0423280 0.0000000), wk = 0.0023474 k( 146) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0023474 k( 147) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0023474 k( 148) = ( 0.0264550 0.0264550 -0.0000000), wk = 0.0023474 k( 149) = ( 0.0211640 0.0211640 0.0000000), wk = 0.0023474 k( 150) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0023474 k( 151) = ( 0.0105820 0.0105820 0.0000000), wk = 0.0023474 k( 152) = ( 0.0052910 0.0052910 -0.0000000), wk = 0.0023474 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 155) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0023474 k( 156) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0023474 k( 157) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0023474 k( 158) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0023474 k( 159) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0023474 k( 160) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0023474 k( 161) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0023474 k( 162) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0023474 k( 163) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0023474 k( 164) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0023474 k( 165) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0023474 k( 166) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0023474 k( 167) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023474 k( 168) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0023474 k( 169) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0023474 k( 170) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0023474 k( 171) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0023474 k( 172) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0023474 k( 173) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0023474 k( 174) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0023474 k( 175) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0023474 k( 176) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0023474 k( 177) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0023474 k( 178) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0023474 k( 179) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0023474 k( 180) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023474 k( 181) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0023474 k( 182) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0023474 k( 183) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0023474 k( 184) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0023474 k( 185) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0023474 k( 186) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0023474 k( 187) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0023474 k( 188) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0023474 k( 189) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0023474 k( 190) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0023474 k( 191) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0023474 k( 192) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0023474 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 195) = ( 0.0090909 -0.0000000 0.5000000), wk = 0.0023474 k( 196) = ( 0.0181818 -0.0000000 0.5000000), wk = 0.0023474 k( 197) = ( 0.0272727 -0.0000000 0.5000000), wk = 0.0023474 k( 198) = ( 0.0363636 -0.0000000 0.5000000), wk = 0.0023474 k( 199) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0023474 k( 200) = ( 0.0545455 0.0000000 0.5000000), wk = 0.0023474 k( 201) = ( 0.0636364 -0.0000000 0.5000000), wk = 0.0023474 k( 202) = ( 0.0727273 -0.0000000 0.5000000), wk = 0.0023474 k( 203) = ( 0.0818182 -0.0000000 0.5000000), wk = 0.0023474 k( 204) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0023474 k( 205) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0023474 k( 206) = ( 0.1090909 -0.0000000 0.5000000), wk = 0.0023474 k( 207) = ( 0.1181818 -0.0000000 0.5000000), wk = 0.0023474 k( 208) = ( 0.1272727 -0.0000000 0.5000000), wk = 0.0023474 k( 209) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0023474 k( 210) = ( 0.1454545 0.0000000 0.5000000), wk = 0.0023474 k( 211) = ( 0.1545455 0.0000000 0.5000000), wk = 0.0023474 k( 212) = ( 0.1636364 -0.0000000 0.5000000), wk = 0.0023474 k( 213) = ( 0.1727273 0.0000000 0.5000000), wk = 0.0023474 k( 214) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0023474 k( 215) = ( 0.1909091 0.0000000 0.5000000), wk = 0.0023474 k( 216) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0023474 k( 217) = ( 0.2090909 0.0000000 0.5000000), wk = 0.0023474 k( 218) = ( 0.2181818 -0.0000000 0.5000000), wk = 0.0023474 k( 219) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0023474 k( 220) = ( 0.2363636 -0.0000000 0.5000000), wk = 0.0023474 k( 221) = ( 0.2454545 -0.0000000 0.5000000), wk = 0.0023474 k( 222) = ( 0.2545455 0.0000000 0.5000000), wk = 0.0023474 k( 223) = ( 0.2636364 -0.0000000 0.5000000), wk = 0.0023474 k( 224) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0023474 k( 225) = ( 0.2818182 -0.0000000 0.5000000), wk = 0.0023474 k( 226) = ( 0.2909091 -0.0000000 0.5000000), wk = 0.0023474 k( 227) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0023474 k( 228) = ( 0.3090909 -0.0000000 0.5000000), wk = 0.0023474 k( 229) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0023474 k( 230) = ( 0.3272727 -0.0000000 0.5000000), wk = 0.0023474 k( 231) = ( 0.3363636 0.0000000 0.5000000), wk = 0.0023474 k( 232) = ( 0.3454546 0.0000000 0.5000000), wk = 0.0023474 k( 233) = ( 0.3545454 0.0000000 0.5000000), wk = 0.0023474 k( 234) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0023474 k( 235) = ( 0.3727273 0.0000000 0.5000000), wk = 0.0023474 k( 236) = ( 0.3818182 0.0000000 0.5000000), wk = 0.0023474 k( 237) = ( 0.3909091 0.0000000 0.5000000), wk = 0.0023474 k( 238) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0023474 k( 239) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0023474 k( 240) = ( 0.4181818 0.0000000 0.5000000), wk = 0.0023474 k( 241) = ( 0.4272727 -0.0000000 0.5000000), wk = 0.0023474 k( 242) = ( 0.4363636 -0.0000000 0.5000000), wk = 0.0023474 k( 243) = ( 0.4454546 0.0000000 0.5000000), wk = 0.0023474 k( 244) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0023474 k( 245) = ( 0.4636364 0.0000000 0.5000000), wk = 0.0023474 k( 246) = ( 0.4727273 -0.0000000 0.5000000), wk = 0.0023474 k( 247) = ( 0.4818182 0.0000000 0.5000000), wk = 0.0023474 k( 248) = ( 0.4909091 0.0000000 0.5000000), wk = 0.0023474 k( 249) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023474 k( 250) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023474 k( 251) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0023474 k( 252) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0023474 k( 253) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0023474 k( 254) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0023474 k( 255) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0023474 k( 256) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0023474 k( 257) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0023474 k( 258) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0023474 k( 259) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0023474 k( 260) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0023474 k( 261) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0023474 k( 262) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0023474 k( 263) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0023474 k( 264) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0023474 k( 265) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0023474 k( 266) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0023474 k( 267) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0023474 k( 268) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0023474 k( 269) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0023474 k( 270) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0023474 k( 271) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0023474 k( 272) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0023474 k( 273) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0023474 k( 274) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0023474 k( 275) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0023474 k( 276) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0023474 k( 277) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0023474 k( 278) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0023474 k( 279) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0023474 k( 280) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0023474 k( 281) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0023474 k( 282) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023474 k( 283) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023474 k( 284) = ( 0.3280423 0.3280423 0.5000000), wk = 0.0023474 k( 285) = ( 0.3227513 0.3227513 0.5000000), wk = 0.0023474 k( 286) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0023474 k( 287) = ( 0.3121693 0.3121693 0.5000000), wk = 0.0023474 k( 288) = ( 0.3068783 0.3068783 0.5000000), wk = 0.0023474 k( 289) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0023474 k( 290) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0023474 k( 291) = ( 0.2910053 0.2910053 0.5000000), wk = 0.0023474 k( 292) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0023474 k( 293) = ( 0.2804233 0.2804233 0.5000000), wk = 0.0023474 k( 294) = ( 0.2751323 0.2751323 0.5000000), wk = 0.0023474 k( 295) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0023474 k( 296) = ( 0.2645503 0.2645503 0.5000000), wk = 0.0023474 k( 297) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0023474 k( 298) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0023474 k( 299) = ( 0.2486772 0.2486772 0.5000000), wk = 0.0023474 k( 300) = ( 0.2433862 0.2433862 0.5000000), wk = 0.0023474 k( 301) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0023474 k( 302) = ( 0.2328042 0.2328042 0.5000000), wk = 0.0023474 k( 303) = ( 0.2275132 0.2275132 0.5000000), wk = 0.0023474 k( 304) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0023474 k( 305) = ( 0.2169312 0.2169312 0.5000000), wk = 0.0023474 k( 306) = ( 0.2116402 0.2116402 0.5000000), wk = 0.0023474 k( 307) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0023474 k( 308) = ( 0.2010582 0.2010582 0.5000000), wk = 0.0023474 k( 309) = ( 0.1957672 0.1957672 0.5000000), wk = 0.0023474 k( 310) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0023474 k( 311) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0023474 k( 312) = ( 0.1798942 0.1798942 0.5000000), wk = 0.0023474 k( 313) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0023474 k( 314) = ( 0.1693122 0.1693122 0.5000000), wk = 0.0023474 k( 315) = ( 0.1640212 0.1640212 0.5000000), wk = 0.0023474 k( 316) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0023474 k( 317) = ( 0.1534391 0.1534391 0.5000000), wk = 0.0023474 k( 318) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0023474 k( 319) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0023474 k( 320) = ( 0.1375661 0.1375661 0.5000000), wk = 0.0023474 k( 321) = ( 0.1322751 0.1322751 0.5000000), wk = 0.0023474 k( 322) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0023474 k( 323) = ( 0.1216931 0.1216931 0.5000000), wk = 0.0023474 k( 324) = ( 0.1164021 0.1164021 0.5000000), wk = 0.0023474 k( 325) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0023474 k( 326) = ( 0.1058201 0.1058201 0.5000000), wk = 0.0023474 k( 327) = ( 0.1005291 0.1005291 0.5000000), wk = 0.0023474 k( 328) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0023474 k( 329) = ( 0.0899471 0.0899471 0.5000000), wk = 0.0023474 k( 330) = ( 0.0846561 0.0846561 0.5000000), wk = 0.0023474 k( 331) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0023474 k( 332) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0023474 k( 333) = ( 0.0687831 0.0687831 0.5000000), wk = 0.0023474 k( 334) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0023474 k( 335) = ( 0.0582011 0.0582011 0.5000000), wk = 0.0023474 k( 336) = ( 0.0529101 0.0529101 0.5000000), wk = 0.0023474 k( 337) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0023474 k( 338) = ( 0.0423280 0.0423280 0.5000000), wk = 0.0023474 k( 339) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0023474 k( 340) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0023474 k( 341) = ( 0.0264550 0.0264550 0.5000000), wk = 0.0023474 k( 342) = ( 0.0211640 0.0211640 0.5000000), wk = 0.0023474 k( 343) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0023474 k( 344) = ( 0.0105820 0.0105820 0.5000000), wk = 0.0023474 k( 345) = ( 0.0052910 0.0052910 0.5000000), wk = 0.0023474 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 347) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023474 k( 348) = ( 0.5000000 0.0000000 0.4871795), wk = 0.0023474 k( 349) = ( 0.5000000 0.0000000 0.4743590), wk = 0.0023474 k( 350) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0023474 k( 351) = ( 0.5000000 0.0000000 0.4487179), wk = 0.0023474 k( 352) = ( 0.5000000 0.0000000 0.4358974), wk = 0.0023474 k( 353) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0023474 k( 354) = ( 0.5000000 0.0000000 0.4102564), wk = 0.0023474 k( 355) = ( 0.5000000 0.0000000 0.3974359), wk = 0.0023474 k( 356) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0023474 k( 357) = ( 0.5000000 0.0000000 0.3717949), wk = 0.0023474 k( 358) = ( 0.5000000 0.0000000 0.3589744), wk = 0.0023474 k( 359) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0023474 k( 360) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0023474 k( 361) = ( 0.5000000 0.0000000 0.3205128), wk = 0.0023474 k( 362) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0023474 k( 363) = ( 0.5000000 0.0000000 0.2948718), wk = 0.0023474 k( 364) = ( 0.5000000 0.0000000 0.2820513), wk = 0.0023474 k( 365) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0023474 k( 366) = ( 0.5000000 0.0000000 0.2564103), wk = 0.0023474 k( 367) = ( 0.5000000 0.0000000 0.2435897), wk = 0.0023474 k( 368) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0023474 k( 369) = ( 0.5000000 0.0000000 0.2179487), wk = 0.0023474 k( 370) = ( 0.5000000 0.0000000 0.2051282), wk = 0.0023474 k( 371) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0023474 k( 372) = ( 0.5000000 0.0000000 0.1794872), wk = 0.0023474 k( 373) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0023474 k( 374) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0023474 k( 375) = ( 0.5000000 0.0000000 0.1410256), wk = 0.0023474 k( 376) = ( 0.5000000 0.0000000 0.1282051), wk = 0.0023474 k( 377) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0023474 k( 378) = ( 0.5000000 0.0000000 0.1025641), wk = 0.0023474 k( 379) = ( 0.5000000 0.0000000 0.0897436), wk = 0.0023474 k( 380) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0023474 k( 381) = ( 0.5000000 0.0000000 0.0641026), wk = 0.0023474 k( 382) = ( 0.5000000 0.0000000 0.0512821), wk = 0.0023474 k( 383) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0023474 k( 384) = ( 0.5000000 0.0000000 0.0256410), wk = 0.0023474 k( 385) = ( 0.5000000 0.0000000 0.0128205), wk = 0.0023474 k( 386) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023474 k( 387) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023474 k( 388) = ( 0.3333333 0.3333333 0.0128205), wk = 0.0023474 k( 389) = ( 0.3333333 0.3333333 0.0256410), wk = 0.0023474 k( 390) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0023474 k( 391) = ( 0.3333333 0.3333333 0.0512821), wk = 0.0023474 k( 392) = ( 0.3333333 0.3333333 0.0641026), wk = 0.0023474 k( 393) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0023474 k( 394) = ( 0.3333333 0.3333333 0.0897436), wk = 0.0023474 k( 395) = ( 0.3333333 0.3333333 0.1025641), wk = 0.0023474 k( 396) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0023474 k( 397) = ( 0.3333333 0.3333333 0.1282051), wk = 0.0023474 k( 398) = ( 0.3333333 0.3333333 0.1410256), wk = 0.0023474 k( 399) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0023474 k( 400) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0023474 k( 401) = ( 0.3333333 0.3333333 0.1794872), wk = 0.0023474 k( 402) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0023474 k( 403) = ( 0.3333333 0.3333333 0.2051282), wk = 0.0023474 k( 404) = ( 0.3333333 0.3333333 0.2179487), wk = 0.0023474 k( 405) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0023474 k( 406) = ( 0.3333333 0.3333333 0.2435897), wk = 0.0023474 k( 407) = ( 0.3333333 0.3333333 0.2564103), wk = 0.0023474 k( 408) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0023474 k( 409) = ( 0.3333333 0.3333333 0.2820513), wk = 0.0023474 k( 410) = ( 0.3333333 0.3333333 0.2948718), wk = 0.0023474 k( 411) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0023474 k( 412) = ( 0.3333333 0.3333333 0.3205128), wk = 0.0023474 k( 413) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0023474 k( 414) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0023474 k( 415) = ( 0.3333333 0.3333333 0.3589744), wk = 0.0023474 k( 416) = ( 0.3333333 0.3333333 0.3717949), wk = 0.0023474 k( 417) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0023474 k( 418) = ( 0.3333333 0.3333333 0.3974359), wk = 0.0023474 k( 419) = ( 0.3333333 0.3333333 0.4102564), wk = 0.0023474 k( 420) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0023474 k( 421) = ( 0.3333333 0.3333333 0.4358974), wk = 0.0023474 k( 422) = ( 0.3333333 0.3333333 0.4487179), wk = 0.0023474 k( 423) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0023474 k( 424) = ( 0.3333333 0.3333333 0.4743590), wk = 0.0023474 k( 425) = ( 0.3333333 0.3333333 0.4871795), wk = 0.0023474 k( 426) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023474 Dense grid: 40539 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 10155 G-vectors FFT dimensions: ( 27, 27, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 84, 34) NL pseudopotentials 0.06 Mb ( 42, 96) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1126) G-vector shells 0.00 Mb ( 540) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 84, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.10 Mb ( 96, 2, 34) The potential is recalculated from file : ./BPt.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.6 secs Computing kpt #: 14 total cpu time spent up to now is 5.8 secs Computing kpt #: 15 total cpu time spent up to now is 6.0 secs Computing kpt #: 16 total cpu time spent up to now is 6.2 secs Computing kpt #: 17 total cpu time spent up to now is 6.4 secs Computing kpt #: 18 total cpu time spent up to now is 6.6 secs Computing kpt #: 19 total cpu time spent up to now is 6.8 secs Computing kpt #: 20 total cpu time spent up to now is 7.1 secs Computing kpt #: 21 total cpu time spent up to now is 7.3 secs Computing kpt #: 22 total cpu time spent up to now is 7.6 secs Computing kpt #: 23 total cpu time spent up to now is 7.8 secs Computing kpt #: 24 total cpu time spent up to now is 8.1 secs Computing kpt #: 25 total cpu time spent up to now is 8.3 secs Computing kpt #: 26 total cpu time spent up to now is 8.6 secs Computing kpt #: 27 total cpu time spent up to now is 8.8 secs Computing kpt #: 28 total cpu time spent up to now is 9.1 secs Computing kpt #: 29 total cpu time spent up to now is 9.3 secs Computing kpt #: 30 total cpu time spent up to now is 9.6 secs Computing kpt #: 31 total cpu time spent up to now is 9.8 secs Computing kpt #: 32 total cpu time spent up to now is 10.1 secs Computing kpt #: 33 total cpu time spent up to now is 10.3 secs Computing kpt #: 34 total cpu time spent up to now is 10.5 secs Computing kpt #: 35 total cpu time spent up to now is 10.7 secs Computing kpt #: 36 total cpu time spent up to now is 10.9 secs Computing kpt #: 37 total cpu time spent up to now is 11.1 secs Computing kpt #: 38 total cpu time spent up to now is 11.3 secs Computing kpt #: 39 total cpu time spent up to now is 11.5 secs Computing kpt #: 40 total cpu time spent up to now is 11.7 secs Computing kpt #: 41 total cpu time spent up to now is 11.9 secs Computing kpt #: 42 total cpu time spent up to now is 12.1 secs Computing kpt #: 43 total cpu time spent up to now is 12.3 secs Computing kpt #: 44 total cpu time spent up to now is 12.5 secs Computing kpt #: 45 total cpu time spent up to now is 12.6 secs Computing kpt #: 46 total cpu time spent up to now is 12.8 secs Computing kpt #: 47 total cpu time spent up to now is 13.0 secs Computing kpt #: 48 total cpu time spent up to now is 13.2 secs Computing kpt #: 49 total cpu time spent up to now is 13.3 secs Computing kpt #: 50 total cpu time spent up to now is 13.5 secs Computing kpt #: 51 total cpu time spent up to now is 13.7 secs Computing kpt #: 52 total cpu time spent up to now is 13.9 secs Computing kpt #: 53 total cpu time spent up to now is 14.0 secs Computing kpt #: 54 total cpu time spent up to now is 14.2 secs Computing kpt #: 55 total cpu time spent up to now is 14.4 secs Computing kpt #: 56 total cpu time spent up to now is 14.6 secs Computing kpt #: 57 total cpu time spent up to now is 14.7 secs Computing kpt #: 58 total cpu time spent up to now is 14.9 secs Computing kpt #: 59 total cpu time spent up to now is 15.1 secs Computing kpt #: 60 total cpu time spent up to now is 15.3 secs Computing kpt #: 61 total cpu time spent up to now is 15.4 secs Computing kpt #: 62 total cpu time spent up to now is 15.6 secs Computing kpt #: 63 total cpu time spent up to now is 15.8 secs Computing kpt #: 64 total cpu time spent up to now is 16.0 secs Computing kpt #: 65 total cpu time spent up to now is 16.1 secs Computing kpt #: 66 total cpu time spent up to now is 16.3 secs Computing kpt #: 67 total cpu time spent up to now is 16.5 secs Computing kpt #: 68 total cpu time spent up to now is 16.7 secs Computing kpt #: 69 total cpu time spent up to now is 16.9 secs Computing kpt #: 70 total cpu time spent up to now is 17.1 secs Computing kpt #: 71 total cpu time spent up to now is 17.4 secs Computing kpt #: 72 total cpu time spent up to now is 17.7 secs Computing kpt #: 73 total cpu time spent up to now is 17.9 secs Computing kpt #: 74 total cpu time spent up to now is 18.2 secs Computing kpt #: 75 total cpu time spent up to now is 18.4 secs Computing kpt #: 76 total cpu time spent up to now is 18.7 secs Computing kpt #: 77 total cpu time spent up to now is 18.9 secs Computing kpt #: 78 total cpu time spent up to now is 19.1 secs Computing kpt #: 79 total cpu time spent up to now is 19.3 secs Computing kpt #: 80 total cpu time spent up to now is 19.5 secs Computing kpt #: 81 total cpu time spent up to now is 19.7 secs Computing kpt #: 82 total cpu time spent up to now is 19.9 secs Computing kpt #: 83 total cpu time spent up to now is 20.0 secs Computing kpt #: 84 total cpu time spent up to now is 20.2 secs Computing kpt #: 85 total cpu time spent up to now is 20.4 secs Computing kpt #: 86 total cpu time spent up to now is 20.6 secs Computing kpt #: 87 total cpu time spent up to now is 20.7 secs Computing kpt #: 88 total cpu time spent up to now is 20.9 secs Computing kpt #: 89 total cpu time spent up to now is 21.1 secs Computing kpt #: 90 total cpu time spent up to now is 21.2 secs Computing kpt #: 91 total cpu time spent up to now is 21.4 secs Computing kpt #: 92 total cpu time spent up to now is 21.5 secs Computing kpt #: 93 total cpu time spent up to now is 21.7 secs Computing kpt #: 94 total cpu time spent up to now is 21.9 secs Computing kpt #: 95 total cpu time spent up to now is 22.1 secs Computing kpt #: 96 total cpu time spent up to now is 22.3 secs Computing kpt #: 97 total cpu time spent up to now is 22.4 secs Computing kpt #: 98 total cpu time spent up to now is 22.6 secs Computing kpt #: 99 total cpu time spent up to now is 22.8 secs Computing kpt #: 100 total cpu time spent up to now is 23.0 secs Computing kpt #: 101 total cpu time spent up to now is 23.2 secs Computing kpt #: 102 total cpu time spent up to now is 23.4 secs Computing kpt #: 103 total cpu time spent up to now is 23.6 secs Computing kpt #: 104 total cpu time spent up to now is 23.8 secs Computing kpt #: 105 total cpu time spent up to now is 24.1 secs Computing kpt #: 106 total cpu time spent up to now is 24.3 secs Computing kpt #: 107 total cpu time spent up to now is 24.5 secs Computing kpt #: 108 total cpu time spent up to now is 24.7 secs Computing kpt #: 109 total cpu time spent up to now is 24.9 secs Computing kpt #: 110 total cpu time spent up to now is 25.1 secs Computing kpt #: 111 total cpu time spent up to now is 25.3 secs Computing kpt #: 112 total cpu time spent up to now is 25.6 secs Computing kpt #: 113 total cpu time spent up to now is 25.8 secs Computing kpt #: 114 total cpu time spent up to now is 26.0 secs Computing kpt #: 115 total cpu time spent up to now is 26.2 secs Computing kpt #: 116 total cpu time spent up to now is 26.4 secs Computing kpt #: 117 total cpu time spent up to now is 26.6 secs Computing kpt #: 118 total cpu time spent up to now is 26.8 secs Computing kpt #: 119 total cpu time spent up to now is 27.0 secs Computing kpt #: 120 total cpu time spent up to now is 27.2 secs Computing kpt #: 121 total cpu time spent up to now is 27.4 secs Computing kpt #: 122 total cpu time spent up to now is 27.6 secs Computing kpt #: 123 total cpu time spent up to now is 27.8 secs Computing kpt #: 124 total cpu time spent up to now is 28.1 secs Computing kpt #: 125 total cpu time spent up to now is 28.3 secs Computing kpt #: 126 total cpu time spent up to now is 28.5 secs Computing kpt #: 127 total cpu time spent up to now is 28.8 secs Computing kpt #: 128 total cpu time spent up to now is 29.0 secs Computing kpt #: 129 total cpu time spent up to now is 29.3 secs Computing kpt #: 130 total cpu time spent up to now is 29.6 secs Computing kpt #: 131 total cpu time spent up to now is 29.9 secs Computing kpt #: 132 total cpu time spent up to now is 30.2 secs Computing kpt #: 133 total cpu time spent up to now is 30.4 secs Computing kpt #: 134 total cpu time spent up to now is 30.7 secs Computing kpt #: 135 total cpu time spent up to now is 30.9 secs Computing kpt #: 136 total cpu time spent up to now is 31.2 secs Computing kpt #: 137 total cpu time spent up to now is 31.4 secs Computing kpt #: 138 total cpu time spent up to now is 31.6 secs Computing kpt #: 139 total cpu time spent up to now is 31.8 secs Computing kpt #: 140 total cpu time spent up to now is 32.0 secs Computing kpt #: 141 total cpu time spent up to now is 32.2 secs Computing kpt #: 142 total cpu time spent up to now is 32.4 secs Computing kpt #: 143 total cpu time spent up to now is 32.6 secs Computing kpt #: 144 total cpu time spent up to now is 32.8 secs Computing kpt #: 145 total cpu time spent up to now is 33.0 secs Computing kpt #: 146 total cpu time spent up to now is 33.2 secs Computing kpt #: 147 total cpu time spent up to now is 33.4 secs Computing kpt #: 148 total cpu time spent up to now is 33.5 secs Computing kpt #: 149 total cpu time spent up to now is 33.7 secs Computing kpt #: 150 total cpu time spent up to now is 33.9 secs Computing kpt #: 151 total cpu time spent up to now is 34.1 secs Computing kpt #: 152 total cpu time spent up to now is 34.3 secs Computing kpt #: 153 total cpu time spent up to now is 34.5 secs Computing kpt #: 154 total cpu time spent up to now is 34.7 secs Computing kpt #: 155 total cpu time spent up to now is 34.9 secs Computing kpt #: 156 total cpu time spent up to now is 35.1 secs Computing kpt #: 157 total cpu time spent up to now is 35.3 secs Computing kpt #: 158 total cpu time spent up to now is 35.5 secs Computing kpt #: 159 total cpu time spent up to now is 35.7 secs Computing kpt #: 160 total cpu time spent up to now is 35.9 secs Computing kpt #: 161 total cpu time spent up to now is 36.0 secs Computing kpt #: 162 total cpu time spent up to now is 36.2 secs Computing kpt #: 163 total cpu time spent up to now is 36.4 secs Computing kpt #: 164 total cpu time spent up to now is 36.6 secs Computing kpt #: 165 total cpu time spent up to now is 36.8 secs Computing kpt #: 166 total cpu time spent up to now is 37.0 secs Computing kpt #: 167 total cpu time spent up to now is 37.2 secs Computing kpt #: 168 total cpu time spent up to now is 37.5 secs Computing kpt #: 169 total cpu time spent up to now is 37.7 secs Computing kpt #: 170 total cpu time spent up to now is 37.9 secs Computing kpt #: 171 total cpu time spent up to now is 38.2 secs Computing kpt #: 172 total cpu time spent up to now is 38.4 secs Computing kpt #: 173 total cpu time spent up to now is 38.6 secs Computing kpt #: 174 total cpu time spent up to now is 38.8 secs Computing kpt #: 175 total cpu time spent up to now is 39.1 secs Computing kpt #: 176 total cpu time spent up to now is 39.3 secs Computing kpt #: 177 total cpu time spent up to now is 39.5 secs Computing kpt #: 178 total cpu time spent up to now is 39.7 secs Computing kpt #: 179 total cpu time spent up to now is 40.0 secs Computing kpt #: 180 total cpu time spent up to now is 40.2 secs Computing kpt #: 181 total cpu time spent up to now is 40.4 secs Computing kpt #: 182 total cpu time spent up to now is 40.6 secs Computing kpt #: 183 total cpu time spent up to now is 40.8 secs Computing kpt #: 184 total cpu time spent up to now is 41.1 secs Computing kpt #: 185 total cpu time spent up to now is 41.3 secs Computing kpt #: 186 total cpu time spent up to now is 41.5 secs Computing kpt #: 187 total cpu time spent up to now is 41.7 secs Computing kpt #: 188 total cpu time spent up to now is 41.9 secs Computing kpt #: 189 total cpu time spent up to now is 42.1 secs Computing kpt #: 190 total cpu time spent up to now is 42.3 secs Computing kpt #: 191 total cpu time spent up to now is 42.5 secs Computing kpt #: 192 total cpu time spent up to now is 42.7 secs Computing kpt #: 193 total cpu time spent up to now is 42.9 secs Computing kpt #: 194 total cpu time spent up to now is 43.1 secs Computing kpt #: 195 total cpu time spent up to now is 43.3 secs Computing kpt #: 196 total cpu time spent up to now is 43.6 secs Computing kpt #: 197 total cpu time spent up to now is 43.8 secs Computing kpt #: 198 total cpu time spent up to now is 44.0 secs Computing kpt #: 199 total cpu time spent up to now is 44.2 secs Computing kpt #: 200 total cpu time spent up to now is 44.4 secs Computing kpt #: 201 total cpu time spent up to now is 44.6 secs Computing kpt #: 202 total cpu time spent up to now is 44.8 secs Computing kpt #: 203 total cpu time spent up to now is 45.1 secs Computing kpt #: 204 total cpu time spent up to now is 45.3 secs Computing kpt #: 205 total cpu time spent up to now is 45.5 secs Computing kpt #: 206 total cpu time spent up to now is 45.7 secs Computing kpt #: 207 total cpu time spent up to now is 45.9 secs Computing kpt #: 208 total cpu time spent up to now is 46.1 secs Computing kpt #: 209 total cpu time spent up to now is 46.3 secs Computing kpt #: 210 total cpu time spent up to now is 46.5 secs Computing kpt #: 211 total cpu time spent up to now is 46.6 secs Computing kpt #: 212 total cpu time spent up to now is 46.8 secs Computing kpt #: 213 total cpu time spent up to now is 47.0 secs Computing kpt #: 214 total cpu time spent up to now is 47.2 secs Computing kpt #: 215 total cpu time spent up to now is 47.4 secs Computing kpt #: 216 total cpu time spent up to now is 47.6 secs Computing kpt #: 217 total cpu time spent up to now is 47.7 secs Computing kpt #: 218 total cpu time spent up to now is 47.9 secs Computing kpt #: 219 total cpu time spent up to now is 48.1 secs Computing kpt #: 220 total cpu time spent up to now is 48.3 secs Computing kpt #: 221 total cpu time spent up to now is 48.4 secs Computing kpt #: 222 total cpu time spent up to now is 48.6 secs Computing kpt #: 223 total cpu time spent up to now is 48.8 secs Computing kpt #: 224 total cpu time spent up to now is 49.0 secs Computing kpt #: 225 total cpu time spent up to now is 49.1 secs Computing kpt #: 226 total cpu time spent up to now is 49.3 secs Computing kpt #: 227 total cpu time spent up to now is 49.5 secs Computing kpt #: 228 total cpu time spent up to now is 49.6 secs Computing kpt #: 229 total cpu time spent up to now is 49.8 secs Computing kpt #: 230 total cpu time spent up to now is 50.0 secs Computing kpt #: 231 total cpu time spent up to now is 50.1 secs Computing kpt #: 232 total cpu time spent up to now is 50.3 secs Computing kpt #: 233 total cpu time spent up to now is 50.5 secs Computing kpt #: 234 total cpu time spent up to now is 50.6 secs Computing kpt #: 235 total cpu time spent up to now is 50.8 secs Computing kpt #: 236 total cpu time spent up to now is 51.0 secs Computing kpt #: 237 total cpu time spent up to now is 51.1 secs Computing kpt #: 238 total cpu time spent up to now is 51.3 secs Computing kpt #: 239 total cpu time spent up to now is 51.5 secs Computing kpt #: 240 total cpu time spent up to now is 51.6 secs Computing kpt #: 241 total cpu time spent up to now is 51.8 secs Computing kpt #: 242 total cpu time spent up to now is 52.0 secs Computing kpt #: 243 total cpu time spent up to now is 52.1 secs Computing kpt #: 244 total cpu time spent up to now is 52.3 secs Computing kpt #: 245 total cpu time spent up to now is 52.5 secs Computing kpt #: 246 total cpu time spent up to now is 52.7 secs Computing kpt #: 247 total cpu time spent up to now is 52.8 secs Computing kpt #: 248 total cpu time spent up to now is 53.0 secs Computing kpt #: 249 total cpu time spent up to now is 53.2 secs Computing kpt #: 250 total cpu time spent up to now is 53.3 secs Computing kpt #: 251 total cpu time spent up to now is 53.7 secs Computing kpt #: 252 total cpu time spent up to now is 54.2 secs Computing kpt #: 253 total cpu time spent up to now is 54.5 secs Computing kpt #: 254 total cpu time spent up to now is 54.9 secs Computing kpt #: 255 total cpu time spent up to now is 55.2 secs Computing kpt #: 256 total cpu time spent up to now is 55.5 secs Computing kpt #: 257 total cpu time spent up to now is 55.8 secs Computing kpt #: 258 total cpu time spent up to now is 56.1 secs Computing kpt #: 259 total cpu time spent up to now is 56.4 secs Computing kpt #: 260 total cpu time spent up to now is 56.7 secs Computing kpt #: 261 total cpu time spent up to now is 57.1 secs Computing kpt #: 262 total cpu time spent up to now is 57.4 secs Computing kpt #: 263 total cpu time spent up to now is 57.6 secs Computing kpt #: 264 total cpu time spent up to now is 57.9 secs Computing kpt #: 265 total cpu time spent up to now is 58.1 secs Computing kpt #: 266 total cpu time spent up to now is 58.4 secs Computing kpt #: 267 total cpu time spent up to now is 58.7 secs Computing kpt #: 268 total cpu time spent up to now is 59.0 secs Computing kpt #: 269 total cpu time spent up to now is 59.2 secs Computing kpt #: 270 total cpu time spent up to now is 59.5 secs Computing kpt #: 271 total cpu time spent up to now is 59.7 secs Computing kpt #: 272 total cpu time spent up to now is 60.2 secs Computing kpt #: 273 total cpu time spent up to now is 60.4 secs Computing kpt #: 274 total cpu time spent up to now is 60.6 secs Computing kpt #: 275 total cpu time spent up to now is 60.8 secs Computing kpt #: 276 total cpu time spent up to now is 61.1 secs Computing kpt #: 277 total cpu time spent up to now is 61.3 secs Computing kpt #: 278 total cpu time spent up to now is 61.5 secs Computing kpt #: 279 total cpu time spent up to now is 61.7 secs Computing kpt #: 280 total cpu time spent up to now is 61.9 secs Computing kpt #: 281 total cpu time spent up to now is 62.2 secs Computing kpt #: 282 total cpu time spent up to now is 62.4 secs Computing kpt #: 283 total cpu time spent up to now is 62.6 secs Computing kpt #: 284 total cpu time spent up to now is 62.8 secs Computing kpt #: 285 total cpu time spent up to now is 63.0 secs Computing kpt #: 286 total cpu time spent up to now is 63.3 secs Computing kpt #: 287 total cpu time spent up to now is 63.5 secs Computing kpt #: 288 total cpu time spent up to now is 63.7 secs Computing kpt #: 289 total cpu time spent up to now is 63.9 secs Computing kpt #: 290 total cpu time spent up to now is 64.2 secs Computing kpt #: 291 total cpu time spent up to now is 64.4 secs Computing kpt #: 292 total cpu time spent up to now is 64.6 secs Computing kpt #: 293 total cpu time spent up to now is 64.8 secs Computing kpt #: 294 total cpu time spent up to now is 65.0 secs Computing kpt #: 295 total cpu time spent up to now is 65.3 secs Computing kpt #: 296 total cpu time spent up to now is 65.5 secs Computing kpt #: 297 total cpu time spent up to now is 65.7 secs Computing kpt #: 298 total cpu time spent up to now is 66.0 secs Computing kpt #: 299 total cpu time spent up to now is 66.2 secs Computing kpt #: 300 total cpu time spent up to now is 66.4 secs Computing kpt #: 301 total cpu time spent up to now is 66.7 secs Computing kpt #: 302 total cpu time spent up to now is 66.9 secs Computing kpt #: 303 total cpu time spent up to now is 67.2 secs Computing kpt #: 304 total cpu time spent up to now is 67.4 secs Computing kpt #: 305 total cpu time spent up to now is 67.7 secs Computing kpt #: 306 total cpu time spent up to now is 67.9 secs Computing kpt #: 307 total cpu time spent up to now is 68.1 secs Computing kpt #: 308 total cpu time spent up to now is 68.4 secs Computing kpt #: 309 total cpu time spent up to now is 68.7 secs Computing kpt #: 310 total cpu time spent up to now is 68.9 secs Computing kpt #: 311 total cpu time spent up to now is 69.2 secs Computing kpt #: 312 total cpu time spent up to now is 69.4 secs Computing kpt #: 313 total cpu time spent up to now is 69.7 secs Computing kpt #: 314 total cpu time spent up to now is 69.9 secs Computing kpt #: 315 total cpu time spent up to now is 70.4 secs Computing kpt #: 316 total cpu time spent up to now is 70.7 secs Computing kpt #: 317 total cpu time spent up to now is 70.9 secs Computing kpt #: 318 total cpu time spent up to now is 71.2 secs Computing kpt #: 319 total cpu time spent up to now is 71.4 secs Computing kpt #: 320 total cpu time spent up to now is 71.7 secs Computing kpt #: 321 total cpu time spent up to now is 71.9 secs Computing kpt #: 322 total cpu time spent up to now is 72.1 secs Computing kpt #: 323 total cpu time spent up to now is 72.3 secs Computing kpt #: 324 total cpu time spent up to now is 72.5 secs Computing kpt #: 325 total cpu time spent up to now is 72.8 secs Computing kpt #: 326 total cpu time spent up to now is 73.0 secs Computing kpt #: 327 total cpu time spent up to now is 73.2 secs Computing kpt #: 328 total cpu time spent up to now is 73.4 secs Computing kpt #: 329 total cpu time spent up to now is 73.6 secs Computing kpt #: 330 total cpu time spent up to now is 73.8 secs Computing kpt #: 331 total cpu time spent up to now is 74.0 secs Computing kpt #: 332 total cpu time spent up to now is 74.3 secs Computing kpt #: 333 total cpu time spent up to now is 74.5 secs Computing kpt #: 334 total cpu time spent up to now is 74.7 secs Computing kpt #: 335 total cpu time spent up to now is 74.9 secs Computing kpt #: 336 total cpu time spent up to now is 76.5 secs Computing kpt #: 337 total cpu time spent up to now is 76.7 secs Computing kpt #: 338 total cpu time spent up to now is 76.9 secs Computing kpt #: 339 total cpu time spent up to now is 77.2 secs Computing kpt #: 340 total cpu time spent up to now is 77.4 secs Computing kpt #: 341 total cpu time spent up to now is 77.6 secs Computing kpt #: 342 total cpu time spent up to now is 77.8 secs Computing kpt #: 343 total cpu time spent up to now is 78.1 secs Computing kpt #: 344 total cpu time spent up to now is 78.3 secs Computing kpt #: 345 total cpu time spent up to now is 78.5 secs Computing kpt #: 346 total cpu time spent up to now is 78.8 secs Computing kpt #: 347 total cpu time spent up to now is 78.9 secs Computing kpt #: 348 total cpu time spent up to now is 79.2 secs Computing kpt #: 349 total cpu time spent up to now is 79.4 secs Computing kpt #: 350 total cpu time spent up to now is 79.6 secs Computing kpt #: 351 total cpu time spent up to now is 79.8 secs Computing kpt #: 352 total cpu time spent up to now is 80.0 secs Computing kpt #: 353 total cpu time spent up to now is 80.1 secs Computing kpt #: 354 total cpu time spent up to now is 80.3 secs Computing kpt #: 355 total cpu time spent up to now is 80.5 secs Computing kpt #: 356 total cpu time spent up to now is 80.6 secs Computing kpt #: 357 total cpu time spent up to now is 80.8 secs Computing kpt #: 358 total cpu time spent up to now is 81.0 secs Computing kpt #: 359 total cpu time spent up to now is 81.1 secs Computing kpt #: 360 total cpu time spent up to now is 81.3 secs Computing kpt #: 361 total cpu time spent up to now is 81.5 secs Computing kpt #: 362 total cpu time spent up to now is 81.6 secs Computing kpt #: 363 total cpu time spent up to now is 81.8 secs Computing kpt #: 364 total cpu time spent up to now is 82.0 secs Computing kpt #: 365 total cpu time spent up to now is 82.2 secs Computing kpt #: 366 total cpu time spent up to now is 82.3 secs Computing kpt #: 367 total cpu time spent up to now is 82.5 secs Computing kpt #: 368 total cpu time spent up to now is 82.7 secs Computing kpt #: 369 total cpu time spent up to now is 82.9 secs Computing kpt #: 370 total cpu time spent up to now is 83.1 secs Computing kpt #: 371 total cpu time spent up to now is 83.3 secs Computing kpt #: 372 total cpu time spent up to now is 83.6 secs Computing kpt #: 373 total cpu time spent up to now is 83.8 secs Computing kpt #: 374 total cpu time spent up to now is 84.1 secs Computing kpt #: 375 total cpu time spent up to now is 84.3 secs Computing kpt #: 376 total cpu time spent up to now is 84.5 secs Computing kpt #: 377 total cpu time spent up to now is 84.7 secs Computing kpt #: 378 total cpu time spent up to now is 84.9 secs Computing kpt #: 379 total cpu time spent up to now is 85.1 secs Computing kpt #: 380 total cpu time spent up to now is 85.3 secs Computing kpt #: 381 total cpu time spent up to now is 85.4 secs Computing kpt #: 382 total cpu time spent up to now is 85.6 secs Computing kpt #: 383 total cpu time spent up to now is 85.8 secs Computing kpt #: 384 total cpu time spent up to now is 86.0 secs Computing kpt #: 385 total cpu time spent up to now is 86.1 secs Computing kpt #: 386 total cpu time spent up to now is 86.3 secs Computing kpt #: 387 total cpu time spent up to now is 86.5 secs Computing kpt #: 388 total cpu time spent up to now is 86.6 secs Computing kpt #: 389 total cpu time spent up to now is 86.8 secs Computing kpt #: 390 total cpu time spent up to now is 87.0 secs Computing kpt #: 391 total cpu time spent up to now is 87.1 secs Computing kpt #: 392 total cpu time spent up to now is 87.3 secs Computing kpt #: 393 total cpu time spent up to now is 87.5 secs Computing kpt #: 394 total cpu time spent up to now is 87.7 secs Computing kpt #: 395 total cpu time spent up to now is 87.8 secs Computing kpt #: 396 total cpu time spent up to now is 88.0 secs Computing kpt #: 397 total cpu time spent up to now is 88.2 secs Computing kpt #: 398 total cpu time spent up to now is 88.3 secs Computing kpt #: 399 total cpu time spent up to now is 88.5 secs Computing kpt #: 400 total cpu time spent up to now is 88.6 secs Computing kpt #: 401 total cpu time spent up to now is 88.8 secs Computing kpt #: 402 total cpu time spent up to now is 88.9 secs Computing kpt #: 403 total cpu time spent up to now is 89.1 secs Computing kpt #: 404 total cpu time spent up to now is 89.2 secs Computing kpt #: 405 total cpu time spent up to now is 89.4 secs Computing kpt #: 406 total cpu time spent up to now is 89.5 secs Computing kpt #: 407 total cpu time spent up to now is 89.7 secs Computing kpt #: 408 total cpu time spent up to now is 89.8 secs Computing kpt #: 409 total cpu time spent up to now is 90.0 secs Computing kpt #: 410 total cpu time spent up to now is 90.1 secs Computing kpt #: 411 total cpu time spent up to now is 90.3 secs Computing kpt #: 412 total cpu time spent up to now is 90.4 secs Computing kpt #: 413 total cpu time spent up to now is 90.6 secs Computing kpt #: 414 total cpu time spent up to now is 90.7 secs Computing kpt #: 415 total cpu time spent up to now is 90.9 secs Computing kpt #: 416 total cpu time spent up to now is 91.1 secs Computing kpt #: 417 total cpu time spent up to now is 91.2 secs Computing kpt #: 418 total cpu time spent up to now is 91.4 secs Computing kpt #: 419 total cpu time spent up to now is 91.6 secs Computing kpt #: 420 total cpu time spent up to now is 91.7 secs Computing kpt #: 421 total cpu time spent up to now is 91.9 secs Computing kpt #: 422 total cpu time spent up to now is 92.1 secs Computing kpt #: 423 total cpu time spent up to now is 92.3 secs Computing kpt #: 424 total cpu time spent up to now is 92.5 secs Computing kpt #: 425 total cpu time spent up to now is 92.7 secs Computing kpt #: 426 total cpu time spent up to now is 92.9 secs ethr = 3.85E-08, avg # of iterations = 23.2 total cpu time spent up to now is 92.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1289 PWs) bands (ev): 3.9895 3.9895 8.7229 8.7229 10.5612 10.5612 11.0964 11.0964 12.6156 12.6156 12.7844 12.7844 13.7716 13.7716 13.8068 13.8068 14.2132 14.2132 14.2751 14.2751 14.7187 14.7187 14.9915 14.9915 17.5842 17.5842 23.8931 23.8931 24.0812 24.0812 24.5669 24.5669 25.0944 25.0944 k = 0.0091 0.0052-0.0000 ( 1289 PWs) bands (ev): 3.9911 3.9911 8.7245 8.7245 10.5610 10.5610 11.0960 11.0960 12.6129 12.6129 12.7824 12.7824 13.7595 13.7595 13.7919 13.7919 14.2215 14.2215 14.2880 14.2880 14.7281 14.7281 14.9943 14.9943 17.5875 17.5875 23.8861 23.8861 24.0753 24.0753 24.5580 24.5580 25.0938 25.0938 k = 0.0182 0.0105-0.0000 ( 1293 PWs) bands (ev): 3.9959 3.9959 8.7291 8.7291 10.5601 10.5601 11.0950 11.0950 12.6050 12.6050 12.7762 12.7762 13.7076 13.7076 13.7748 13.7748 14.2289 14.2289 14.3322 14.3322 14.7563 14.7563 15.0028 15.0028 17.5974 17.5974 23.8619 23.8619 24.0608 24.0608 24.5319 24.5319 25.0921 25.0921 k = 0.0273 0.0157-0.0000 ( 1293 PWs) bands (ev): 4.0039 4.0039 8.7368 8.7368 10.5585 10.5585 11.0935 11.0935 12.5918 12.5918 12.7656 12.7656 13.6307 13.6307 13.7600 13.7600 14.2284 14.2284 14.3959 14.3959 14.8020 14.8020 15.0183 15.0183 17.6138 17.6138 23.8135 23.8135 24.0455 24.0455 24.4905 24.4905 25.0892 25.0892 k = 0.0364 0.0210-0.0000 ( 1291 PWs) bands (ev): 4.0152 4.0152 8.7476 8.7476 10.5559 10.5559 11.0918 11.0918 12.5733 12.5733 12.7503 12.7503 13.5458 13.5458 13.7423 13.7423 14.2241 14.2241 14.4640 14.4640 14.8613 14.8613 15.0442 15.0442 17.6364 17.6364 23.7374 23.7374 24.0331 24.0331 24.4373 24.4373 25.0850 25.0850 k = 0.0455 0.0262-0.0000 ( 1295 PWs) bands (ev): 4.0296 4.0296 8.7615 8.7615 10.5519 10.5519 11.0906 11.0906 12.5493 12.5493 12.7297 12.7297 13.4602 13.4602 13.7217 13.7217 14.2181 14.2181 14.5304 14.5304 14.9247 14.9247 15.0876 15.0876 17.6648 17.6648 23.6357 23.6357 24.0188 24.0188 24.3790 24.3790 25.0795 25.0795 k = 0.0545 0.0315-0.0000 ( 1295 PWs) bands (ev): 4.0472 4.0472 8.7783 8.7783 10.5462 10.5462 11.0903 11.0903 12.5199 12.5199 12.7032 12.7032 13.3775 13.3775 13.6986 13.6986 14.2114 14.2114 14.5937 14.5937 14.9792 14.9792 15.1584 15.1584 17.6988 17.6988 23.5132 23.5132 23.9912 23.9912 24.3271 24.3271 25.0722 25.0722 k = 0.0636 0.0367-0.0000 ( 1295 PWs) bands (ev): 4.0680 4.0680 8.7982 8.7982 10.5382 10.5382 11.0916 11.0916 12.4849 12.4849 12.6705 12.6705 13.3003 13.3003 13.6735 13.6735 14.2047 14.2047 14.6544 14.6544 15.0220 15.0220 15.2559 15.2559 17.7379 17.7379 23.3737 23.3737 23.9366 23.9366 24.2952 24.2952 25.0627 25.0627 k = 0.0727 0.0420-0.0000 ( 1299 PWs) bands (ev): 4.0920 4.0920 8.8209 8.8209 10.5276 10.5276 11.0951 11.0951 12.4440 12.4440 12.6314 12.6314 13.2299 13.2299 13.6470 13.6470 14.1989 14.1989 14.7132 14.7132 15.0592 15.0592 15.3713 15.3713 17.7815 17.7815 23.2207 23.2207 23.8501 23.8501 24.2891 24.2891 25.0504 25.0504 k = 0.0818 0.0472-0.0000 ( 1299 PWs) bands (ev): 4.1190 4.1190 8.8465 8.8465 10.5140 10.5140 11.1013 11.1013 12.3971 12.3971 12.5863 12.5863 13.1669 13.1669 13.6193 13.6193 14.1943 14.1943 14.7705 14.7705 15.0957 15.0957 15.4976 15.4976 17.8292 17.8292 23.0564 23.0564 23.7381 23.7381 24.3033 24.3033 25.0350 25.0350 k = 0.0909 0.0525-0.0000 ( 1299 PWs) bands (ev): 4.1492 4.1492 8.8750 8.8750 10.4972 10.4972 11.1109 11.1109 12.3439 12.3439 12.5366 12.5366 13.1111 13.1111 13.5909 13.5909 14.1917 14.1917 14.8262 14.8262 15.1336 15.1336 15.6313 15.6313 17.8805 17.8805 22.8829 22.8829 23.6084 23.6084 24.3311 24.3311 25.0159 25.0159 k = 0.1000 0.0577-0.0000 ( 1299 PWs) bands (ev): 4.1824 4.1824 8.9061 8.9061 10.4770 10.4770 11.1240 11.1240 12.2842 12.2842 12.4837 12.4837 13.0613 13.0613 13.5621 13.5621 14.1912 14.1912 14.8804 14.8804 15.1741 15.1741 15.7702 15.7702 17.9348 17.9348 22.7016 22.7016 23.4664 23.4664 24.3681 24.3681 24.9931 24.9931 k = 0.1091 0.0630-0.0000 ( 1303 PWs) bands (ev): 4.2186 4.2186 8.9399 8.9399 10.4535 10.4535 11.1408 11.1408 12.2183 12.2183 12.4294 12.4294 13.0160 13.0160 13.5335 13.5335 14.1933 14.1933 14.9327 14.9327 15.2177 15.2177 15.9131 15.9131 17.9918 17.9918 22.5138 22.5138 23.3154 23.3154 24.4117 24.4117 24.9665 24.9665 k = 0.1182 0.0682-0.0000 ( 1303 PWs) bands (ev): 4.2579 4.2579 8.9762 8.9762 10.4270 10.4270 11.1615 11.1615 12.1470 12.1470 12.3747 12.3747 12.9737 12.9737 13.5053 13.5053 14.1980 14.1980 14.9828 14.9828 15.2644 15.2644 16.0593 16.0593 18.0508 18.0508 22.3204 22.3204 23.1576 23.1577 24.4605 24.4605 24.9365 24.9365 k = 0.1273 0.0735-0.0000 ( 1299 PWs) bands (ev): 4.3000 4.3000 9.0148 9.0148 10.3978 10.3978 11.1857 11.1857 12.0715 12.0715 12.3203 12.3203 12.9330 12.9330 13.4780 13.4780 14.2056 14.2056 15.0307 15.0307 15.3142 15.3142 16.2082 16.2082 18.1113 18.1113 22.1225 22.1225 22.9947 22.9947 24.5132 24.5132 24.9036 24.9036 k = 0.1364 0.0787-0.0000 ( 1291 PWs) bands (ev): 4.3450 4.3450 9.0557 9.0557 10.3664 10.3664 11.2135 11.2135 11.9930 11.9930 12.2665 12.2665 12.8928 12.8928 13.4520 13.4520 14.2159 14.2159 15.0763 15.0763 15.3670 15.3670 16.3594 16.3594 18.1731 18.1731 21.9205 21.9205 22.8278 22.8278 24.5685 24.5685 24.8687 24.8687 k = 0.1455 0.0840-0.0000 ( 1283 PWs) bands (ev): 4.3929 4.3929 9.0984 9.0984 10.3332 10.3332 11.2443 11.2443 11.9127 11.9127 12.2134 12.2134 12.8521 12.8521 13.4276 13.4276 14.2290 14.2290 15.1196 15.1196 15.4222 15.4222 16.5125 16.5125 18.2355 18.2355 21.7153 21.7153 22.6579 22.6579 24.6241 24.6241 24.8338 24.8338 k = 0.1545 0.0892-0.0000 ( 1279 PWs) bands (ev): 4.4436 4.4436 9.1428 9.1428 10.2987 10.2987 11.2778 11.2778 11.8319 11.8319 12.1611 12.1611 12.8104 12.8104 13.4049 13.4049 14.2447 14.2447 15.1607 15.1607 15.4794 15.4794 16.6672 16.6672 18.2982 18.2982 21.5073 21.5073 22.4858 22.4858 24.6732 24.6732 24.8052 24.8052 k = 0.1636 0.0945-0.0000 ( 1281 PWs) bands (ev): 4.4970 4.4970 9.1885 9.1885 10.2637 10.2637 11.3131 11.3131 11.7520 11.7520 12.1097 12.1097 12.7674 12.7674 13.3842 13.3842 14.2630 14.2630 15.1998 15.1998 15.5382 15.5382 16.8234 16.8234 18.3608 18.3608 21.2971 21.2971 22.3120 22.3120 24.6916 24.6916 24.8068 24.8068 k = 0.1727 0.0997-0.0000 ( 1279 PWs) bands (ev): 4.5530 4.5530 9.2350 9.2350 10.2288 10.2288 11.3485 11.3485 11.6748 11.6748 12.0593 12.0593 12.7231 12.7231 13.3653 13.3653 14.2837 14.2837 15.2369 15.2369 15.5980 15.5980 16.9808 16.9808 18.4229 18.4229 21.0853 21.0853 22.1373 22.1373 24.6673 24.6673 24.8502 24.8502 k = 0.1818 0.1050-0.0000 ( 1275 PWs) bands (ev): 4.6115 4.6115 9.2815 9.2815 10.1950 10.1950 11.3797 11.3797 11.6048 11.6048 12.0104 12.0104 12.6775 12.6775 13.3482 13.3482 14.3067 14.3067 15.2721 15.2721 15.6585 15.6585 17.1392 17.1392 18.4843 18.4843 20.8723 20.8723 21.9619 21.9619 24.6271 24.6271 24.9077 24.9077 k = 0.1909 0.1102-0.0000 ( 1275 PWs) bands (ev): 4.6726 4.6726 9.3273 9.3273 10.1632 10.1632 11.3929 11.3929 11.5556 11.5556 11.9634 11.9634 12.6308 12.6308 13.3329 13.3329 14.3318 14.3318 15.3054 15.3054 15.7194 15.7194 17.2985 17.2985 18.5444 18.5444 20.6585 20.6585 21.7862 21.7862 24.5820 24.5820 24.9676 24.9676 k = 0.2000 0.1155-0.0000 ( 1267 PWs) bands (ev): 4.7361 4.7361 9.3710 9.3710 10.1349 10.1349 11.3648 11.3648 11.5494 11.5494 11.9193 11.9193 12.5832 12.5832 13.3192 13.3192 14.3589 14.3589 15.3369 15.3369 15.7802 15.7802 17.4584 17.4584 18.6031 18.6031 20.4445 20.4445 21.6107 21.6107 24.5347 24.5347 25.0260 25.0260 k = 0.2091 0.1207-0.0000 ( 1269 PWs) bands (ev): 4.8018 4.8018 9.4111 9.4111 10.1118 10.1118 11.3061 11.3061 11.5741 11.5741 11.8801 11.8801 12.5349 12.5349 13.3069 13.3069 14.3878 14.3878 15.3665 15.3665 15.8408 15.8408 17.6188 17.6188 18.6600 18.6600 20.2306 20.2306 21.4355 21.4355 24.4861 24.4861 25.0806 25.0806 k = 0.2182 0.1260-0.0000 ( 1269 PWs) bands (ev): 4.8698 4.8698 9.4454 9.4454 10.0959 10.0959 11.2377 11.2377 11.6044 11.6044 11.8502 11.8502 12.4864 12.4864 13.2958 13.2958 14.4184 14.4184 15.3941 15.3941 15.9009 15.9009 17.7794 17.7794 18.7150 18.7150 20.0173 20.0173 21.2610 21.2610 24.4368 24.4368 25.1295 25.1295 k = 0.2273 0.1312-0.0000 ( 1271 PWs) bands (ev): 4.9398 4.9398 9.4717 9.4717 10.0897 10.0897 11.1673 11.1673 11.6243 11.6243 11.8379 11.8379 12.4377 12.4377 13.2857 13.2857 14.4505 14.4505 15.4197 15.4197 15.9602 15.9602 17.9401 17.9401 18.7676 18.7676 19.8051 19.8051 21.0873 21.0873 24.3870 24.3870 25.1707 25.1708 k = 0.2364 0.1365-0.0000 ( 1271 PWs) bands (ev): 5.0118 5.0118 9.4879 9.4879 10.0951 10.0951 11.0973 11.0973 11.6231 11.6231 11.8518 11.8518 12.3893 12.3893 13.2767 13.2767 14.4839 14.4839 15.4432 15.4432 16.0187 16.0187 18.1006 18.1006 18.8178 18.8178 19.5943 19.5943 20.9147 20.9147 24.3371 24.3371 25.2026 25.2026 k = 0.2455 0.1417-0.0000 ( 1271 PWs) bands (ev): 5.0856 5.0856 9.4929 9.4929 10.1132 10.1132 11.0287 11.0287 11.6029 11.6029 11.8890 11.8890 12.3413 12.3413 13.2684 13.2684 14.5187 14.5187 15.4645 15.4645 16.0762 16.0762 18.2607 18.2607 18.8653 18.8653 19.3855 19.3855 20.7434 20.7434 24.2872 24.2872 25.2235 25.2235 k = 0.2545 0.1470-0.0000 ( 1275 PWs) bands (ev): 5.1611 5.1611 9.4871 9.4871 10.1434 10.1434 10.9619 10.9619 11.5725 11.5725 11.9400 11.9400 12.2941 12.2941 13.2607 13.2607 14.5545 14.5545 15.4835 15.4835 16.1325 16.1325 18.4198 18.4198 18.9094 18.9094 19.1796 19.1796 20.5737 20.5737 24.2375 24.2375 25.2325 25.2325 k = 0.2636 0.1522-0.0000 ( 1273 PWs) bands (ev): 5.2382 5.2382 9.4720 9.4720 10.1841 10.1841 10.8974 10.8974 11.5381 11.5381 11.9987 11.9987 12.2478 12.2478 13.2537 13.2537 14.5912 14.5912 15.5001 15.5001 16.1875 16.1875 18.5770 18.5770 18.9392 18.9392 18.9885 18.9885 20.4059 20.4059 24.1881 24.1881 25.2289 25.2289 k = 0.2727 0.1575-0.0000 ( 1274 PWs) bands (ev): 5.3166 5.3166 9.4495 9.4495 10.2328 10.2328 10.8356 10.8356 11.5023 11.5023 12.0618 12.0618 12.2029 12.2029 13.2472 13.2472 14.6287 14.6287 15.5144 15.5144 16.2411 16.2411 18.7180 18.7180 18.7857 18.7857 18.9952 18.9952 20.2405 20.2405 24.1391 24.1391 25.2130 25.2130 k = 0.2818 0.1627-0.0000 ( 1270 PWs) bands (ev): 5.3963 5.3963 9.4217 9.4217 10.2870 10.2870 10.7771 10.7771 11.4666 11.4666 12.1258 12.1258 12.1617 12.1617 13.2411 13.2411 14.6668 14.6668 15.5261 15.5261 16.2932 16.2932 18.5682 18.5682 18.8910 18.8910 19.0318 19.0318 20.0782 20.0782 24.0906 24.0906 25.1855 25.1855 k = 0.2909 0.1680-0.0000 ( 1270 PWs) bands (ev): 5.4769 5.4769 9.3900 9.3900 10.3438 10.3438 10.7230 10.7230 11.4318 11.4318 12.1141 12.1141 12.1999 12.1999 13.2355 13.2355 14.7054 14.7054 15.5354 15.5354 16.3438 16.3438 18.3755 18.3755 19.0248 19.0248 19.0792 19.0792 19.9206 19.9206 24.0428 24.0428 25.1479 25.1479 k = 0.3000 0.1732-0.0000 ( 1270 PWs) bands (ev): 5.5583 5.5583 9.3557 9.3557 10.3991 10.3991 10.6760 10.6760 11.3984 11.3984 12.0740 12.0740 12.2700 12.2700 13.2301 13.2301 14.7443 14.7443 15.5421 15.5421 16.3926 16.3926 18.1859 18.1859 19.0797 19.0797 19.1948 19.1948 19.7723 19.7723 23.9956 23.9956 25.1018 25.1018 k = 0.3091 0.1785-0.0000 ( 1270 PWs) bands (ev): 5.6403 5.6403 9.3197 9.3197 10.4440 10.4440 10.6437 10.6437 11.3669 11.3669 12.0349 12.0349 12.3420 12.3420 13.2251 13.2251 14.7833 14.7833 15.5464 15.5464 16.4397 16.4397 18.0007 18.0007 19.1064 19.1064 19.3088 19.3088 19.6513 19.6513 23.9491 23.9491 25.0490 25.0490 k = 0.3182 0.1837-0.0000 ( 1270 PWs) bands (ev): 5.7226 5.7226 9.2827 9.2827 10.4609 10.4609 10.6426 10.6426 11.3378 11.3378 11.9976 11.9976 12.4151 12.4151 13.2204 13.2204 14.8223 14.8223 15.5481 15.5481 16.4850 16.4850 17.8204 17.8204 19.1239 19.1239 19.3301 19.3301 19.6292 19.6292 23.9034 23.9034 24.9912 24.9912 k = 0.3273 0.1890-0.0000 ( 1266 PWs) bands (ev): 5.8050 5.8050 9.2451 9.2451 10.4439 10.4439 10.6775 10.6775 11.3116 11.3116 11.9621 11.9621 12.4889 12.4889 13.2160 13.2160 14.8610 14.8610 15.5475 15.5475 16.5283 16.5283 17.6457 17.6457 19.1199 19.1199 19.2515 19.2515 19.7258 19.7258 23.8586 23.8586 24.9302 24.9302 k = 0.3364 0.1942-0.0000 ( 1266 PWs) bands (ev): 5.8871 5.8871 9.2073 9.2073 10.4104 10.4104 10.7295 10.7295 11.2891 11.2891 11.9287 11.9287 12.5629 12.5629 13.2120 13.2120 14.8991 14.8991 15.5445 15.5445 16.5696 16.5696 17.4772 17.4772 19.0433 19.0433 19.2091 19.2091 19.8559 19.8559 23.8147 23.8147 24.8674 24.8674 k = 0.3455 0.1994-0.0000 ( 1266 PWs) bands (ev): 5.9688 5.9688 9.1695 9.1695 10.3722 10.3722 10.7853 10.7853 11.2716 11.2716 11.8972 11.8972 12.6368 12.6368 13.2083 13.2083 14.9366 14.9366 15.5395 15.5395 16.6087 16.6087 17.3155 17.3155 18.9145 18.9145 19.2097 19.2097 19.9921 19.9921 23.7716 23.7716 24.8041 24.8041 k = 0.3545 0.2047-0.0000 ( 1266 PWs) bands (ev): 6.0496 6.0496 9.1322 9.1322 10.3336 10.3336 10.8385 10.8385 11.2609 11.2609 11.8680 11.8680 12.7101 12.7101 13.2051 13.2051 14.9730 14.9730 15.5325 15.5325 16.6452 16.6452 17.1615 17.1615 18.7757 18.7757 19.2173 19.2173 20.1282 20.1282 23.7296 23.7296 24.7414 24.7414 k = 0.3636 0.2099-0.0000 ( 1270 PWs) bands (ev): 6.1292 6.1292 9.0953 9.0953 10.2959 10.2959 10.8846 10.8846 11.2591 11.2591 11.8408 11.8408 12.7823 12.7823 13.2025 13.2025 15.0080 15.0080 15.5238 15.5238 16.6783 16.6783 17.0166 17.0166 18.6361 18.6361 19.2250 19.2250 20.2620 20.2620 23.6885 23.6885 24.6802 24.6802 k = 0.3727 0.2152-0.0000 ( 1270 PWs) bands (ev): 6.2072 6.2072 9.0592 9.0592 10.2600 10.2600 10.9202 10.9202 11.2689 11.2689 11.8159 11.8159 12.8527 12.8527 13.2009 13.2009 15.0413 15.0413 15.5138 15.5138 16.7041 16.7041 16.8857 16.8857 18.4982 18.4982 19.2315 19.2315 20.3924 20.3924 23.6486 23.6486 24.6212 24.6212 k = 0.3818 0.2204-0.0000 ( 1266 PWs) bands (ev): 6.2832 6.2832 9.0240 9.0240 10.2261 10.2261 10.9432 10.9432 11.2914 11.2914 11.7931 11.7931 12.9204 12.9204 13.2006 13.2006 15.0724 15.0724 15.5026 15.5026 16.6926 16.6926 16.7990 16.7990 18.3631 18.3631 19.2366 19.2366 20.5185 20.5185 23.6099 23.6099 24.5651 24.5651 k = 0.3909 0.2257-0.0000 ( 1268 PWs) bands (ev): 6.3568 6.3568 8.9899 8.9899 10.1944 10.1944 10.9546 10.9546 11.3248 11.3248 11.7725 11.7725 12.9840 12.9840 13.2028 13.2028 15.1009 15.1009 15.4907 15.4907 16.6028 16.6028 16.7988 16.7988 18.2316 18.2316 19.2402 19.2402 20.6395 20.6395 23.5724 23.5724 24.5122 24.5122 k = 0.4000 0.2309-0.0000 ( 1264 PWs) bands (ev): 6.4276 6.4276 8.9570 8.9570 10.1651 10.1651 10.9574 10.9574 11.3657 11.3657 11.7541 11.7541 13.0407 13.0407 13.2096 13.2096 15.1263 15.1263 15.4781 15.4781 16.4997 16.4997 16.8207 16.8207 18.1043 18.1043 19.2425 19.2425 20.7549 20.7549 23.5363 23.5363 24.4631 24.4631 k = 0.4091 0.2362-0.0000 ( 1260 PWs) bands (ev): 6.4949 6.4949 8.9256 8.9256 10.1382 10.1382 10.9548 10.9548 11.4104 11.4104 11.7378 11.7378 13.0862 13.0862 13.2248 13.2248 15.1482 15.1482 15.4650 15.4650 16.4045 16.4045 16.8449 16.8449 17.9817 17.9817 19.2437 19.2437 20.8640 20.8640 23.5017 23.5017 24.4178 24.4178 k = 0.4182 0.2414-0.0000 ( 1264 PWs) bands (ev): 6.5583 6.5583 8.8959 8.8959 10.1137 10.1137 10.9491 10.9491 11.4558 11.4558 11.7235 11.7235 13.1159 13.1159 13.2526 13.2526 15.1665 15.1665 15.4511 15.4511 16.3209 16.3209 16.8685 16.8685 17.8645 17.8645 19.2440 19.2440 20.9661 20.9661 23.4689 23.4689 24.3767 24.3767 k = 0.4273 0.2467-0.0000 ( 1260 PWs) bands (ev): 6.6173 6.6173 8.8682 8.8682 10.0918 10.0918 10.9420 10.9420 11.4999 11.4999 11.7112 11.7112 13.1316 13.1316 13.2908 13.2908 15.1812 15.1812 15.4360 15.4360 16.2503 16.2503 16.8912 16.8912 17.7533 17.7533 19.2436 19.2436 21.0604 21.0604 23.4380 23.4380 24.3398 24.3398 k = 0.4364 0.2519-0.0000 ( 1260 PWs) bands (ev): 6.6712 6.6712 8.8426 8.8426 10.0724 10.0724 10.9345 10.9345 11.5412 11.5412 11.7007 11.7007 13.1391 13.1391 13.3326 13.3326 15.1928 15.1928 15.4191 15.4191 16.1936 16.1936 16.9128 16.9128 17.6488 17.6488 19.2427 19.2427 21.1462 21.1462 23.4095 23.4095 24.3073 24.3073 k = 0.4455 0.2572-0.0000 ( 1268 PWs) bands (ev): 6.7194 6.7194 8.8196 8.8196 10.0555 10.0555 10.9272 10.9272 11.5785 11.5785 11.6920 11.6920 13.1428 13.1428 13.3733 13.3733 15.2023 15.2023 15.4000 15.4000 16.1506 16.1506 16.9335 16.9335 17.5520 17.5520 19.2415 19.2415 21.2228 21.2228 23.3835 23.3835 24.2791 24.2791 k = 0.4545 0.2624-0.0000 ( 1274 PWs) bands (ev): 6.7615 6.7615 8.7993 8.7993 10.0412 10.0412 10.9206 10.9206 11.6111 11.6111 11.6850 11.6850 13.1446 13.1446 13.4103 13.4103 15.2105 15.2105 15.3787 15.3787 16.1204 16.1204 16.9536 16.9536 17.4638 17.4638 19.2402 19.2402 21.2894 21.2894 23.3605 23.3605 24.2552 24.2552 k = 0.4636 0.2677-0.0000 ( 1274 PWs) bands (ev): 6.7969 6.7969 8.7822 8.7822 10.0296 10.0296 10.9149 10.9149 11.6381 11.6381 11.6799 11.6799 13.1456 13.1456 13.4420 13.4420 15.2187 15.2187 15.3559 15.3559 16.1009 16.1009 16.9733 16.9733 17.3852 17.3852 19.2389 19.2389 21.3452 21.3452 23.3409 23.3409 24.2358 24.2358 k = 0.4727 0.2729-0.0000 ( 1272 PWs) bands (ev): 6.8249 6.8249 8.7685 8.7685 10.0204 10.0204 10.9104 10.9104 11.6581 11.6581 11.6774 11.6774 13.1462 13.1462 13.4675 13.4675 15.2278 15.2278 15.3324 15.3324 16.0897 16.0897 16.9928 16.9928 17.3177 17.3177 19.2378 19.2378 21.3895 21.3895 23.3251 23.3251 24.2206 24.2206 k = 0.4818 0.2782-0.0000 ( 1270 PWs) bands (ev): 6.8454 6.8454 8.7585 8.7585 10.0139 10.0139 10.9070 10.9070 11.6666 11.6666 11.6817 11.6817 13.1465 13.1465 13.4862 13.4862 15.2388 15.2388 15.3095 15.3095 16.0841 16.0841 17.0113 17.0113 17.2634 17.2634 19.2369 19.2369 21.4217 21.4217 23.3136 23.3136 24.2099 24.2099 k = 0.4909 0.2834-0.0000 ( 1270 PWs) bands (ev): 6.8577 6.8577 8.7524 8.7524 10.0100 10.0100 10.9050 10.9050 11.6671 11.6671 11.6890 11.6890 13.1467 13.1467 13.4976 13.4976 15.2522 15.2522 15.2882 15.2882 16.0818 16.0818 17.0264 17.0264 17.2263 17.2263 19.2364 19.2364 21.4412 21.4412 23.3065 23.3065 24.2034 24.2034 k = 0.5000 0.2887-0.0000 ( 1270 PWs) bands (ev): 6.8619 6.8619 8.7504 8.7504 10.0087 10.0087 10.9043 10.9043 11.6669 11.6669 11.6918 11.6918 13.1467 13.1467 13.5014 13.5014 15.2656 15.2656 15.2721 15.2721 16.0813 16.0813 17.0327 17.0327 17.2126 17.2126 19.2362 19.2362 21.4478 21.4478 23.3041 23.3041 24.2013 24.2013 k = 0.5000 0.2887-0.0000 ( 1270 PWs) bands (ev): 6.8619 6.8619 8.7504 8.7504 10.0087 10.0087 10.9043 10.9043 11.6669 11.6669 11.6918 11.6918 13.1467 13.1467 13.5014 13.5014 15.2656 15.2656 15.2721 15.2721 16.0813 16.0813 17.0327 17.0327 17.2126 17.2126 19.2362 19.2362 21.4478 21.4478 23.3041 23.3041 24.2013 24.2013 k = 0.4948 0.2977-0.0000 ( 1274 PWs) bands (ev): 6.8624 6.8624 8.7525 8.7525 10.0070 10.0070 10.9064 10.9064 11.6664 11.6664 11.6914 11.6914 13.1453 13.1453 13.5013 13.5013 15.2402 15.2402 15.2962 15.2962 16.0799 16.0799 17.0326 17.0326 17.2119 17.2119 19.2360 19.2360 21.4513 21.4513 23.3039 23.3039 24.2065 24.2065 k = 0.4896 0.3067-0.0000 ( 1274 PWs) bands (ev): 6.8640 6.8640 8.7589 8.7589 10.0020 10.0020 10.9126 10.9126 11.6650 11.6650 11.6900 11.6900 13.1412 13.1412 13.5007 13.5007 15.2105 15.2105 15.3219 15.3219 16.0758 16.0758 17.0321 17.0321 17.2099 17.2099 19.2356 19.2356 21.4621 21.4621 23.3036 23.3036 24.2222 24.2222 k = 0.4844 0.3157-0.0000 ( 1266 PWs) bands (ev): 6.8667 6.8667 8.7695 8.7695 9.9939 9.9939 10.9227 10.9227 11.6626 11.6626 11.6878 11.6878 13.1342 13.1342 13.4999 13.4999 15.1793 15.1793 15.3464 15.3464 16.0691 16.0691 17.0314 17.0314 17.2066 17.2066 19.2349 19.2349 21.4800 21.4800 23.3029 23.3029 24.2483 24.2483 k = 0.4792 0.3248-0.0000 ( 1264 PWs) bands (ev): 6.8704 6.8704 8.7844 8.7844 9.9828 9.9828 10.9364 10.9364 11.6593 11.6593 11.6847 11.6847 13.1243 13.1243 13.4986 13.4986 15.1467 15.1467 15.3697 15.3697 16.0601 16.0601 17.0305 17.0305 17.2021 17.2021 19.2339 19.2339 21.5050 21.5050 23.3018 23.3018 24.2844 24.2844 k = 0.4740 0.3338-0.0000 ( 1264 PWs) bands (ev): 6.8751 6.8751 8.8035 8.8035 9.9692 9.9692 10.9534 10.9534 11.6550 11.6550 11.6808 11.6808 13.1116 13.1116 13.4971 13.4971 15.1126 15.1126 15.3916 15.3916 16.0492 16.0492 17.0296 17.0296 17.1964 17.1964 19.2325 19.2325 21.5369 21.5369 23.3002 23.3002 24.3304 24.3304 k = 0.4688 0.3428-0.0000 ( 1264 PWs) bands (ev): 6.8807 6.8807 8.8268 8.8268 9.9534 9.9534 10.9733 10.9733 11.6497 11.6497 11.6762 11.6762 13.0960 13.0960 13.4951 13.4951 15.0769 15.0769 15.4121 15.4121 16.0367 16.0367 17.0287 17.0287 17.1897 17.1897 19.2309 19.2309 21.5757 21.5757 23.2980 23.2980 24.3858 24.3858 k = 0.4635 0.3518-0.0000 ( 1256 PWs) bands (ev): 6.8874 6.8874 8.8542 8.8542 9.9358 9.9358 10.9956 10.9956 11.6434 11.6434 11.6710 11.6710 13.0774 13.0774 13.4927 13.4927 15.0396 15.0396 15.4310 15.4310 16.0234 16.0234 17.0279 17.0279 17.1819 17.1819 19.2289 19.2289 21.6213 21.6213 23.2952 23.2952 24.4500 24.4500 k = 0.4583 0.3608-0.0000 ( 1256 PWs) bands (ev): 6.8949 6.8949 8.8858 8.8858 9.9166 9.9166 11.0199 11.0199 11.6361 11.6361 11.6653 11.6653 13.0560 13.0560 13.4898 13.4898 15.0007 15.0007 15.4483 15.4483 16.0098 16.0098 17.0275 17.0275 17.1731 17.1731 19.2265 19.2265 21.6734 21.6734 23.2918 23.2918 24.5224 24.5224 k = 0.4531 0.3699-0.0000 ( 1256 PWs) bands (ev): 6.9032 6.9032 8.9215 8.9215 9.8963 9.8963 11.0458 11.0458 11.6277 11.6277 11.6592 11.6592 13.0319 13.0319 13.4862 13.4862 14.9602 14.9602 15.4636 15.4636 15.9967 15.9967 17.0273 17.0273 17.1635 17.1635 19.2237 19.2237 21.7319 21.7319 23.2877 23.2877 24.6024 24.6024 k = 0.4479 0.3789-0.0000 ( 1260 PWs) bands (ev): 6.9124 6.9124 8.9612 8.9612 9.8752 9.8752 11.0728 11.0728 11.6181 11.6181 11.6529 11.6529 13.0051 13.0051 13.4818 13.4818 14.9182 14.9182 15.4769 15.4769 15.9850 15.9850 17.0276 17.0276 17.1531 17.1531 19.2205 19.2205 21.7966 21.7966 23.2830 23.2830 24.6890 24.6890 k = 0.4427 0.3879-0.0000 ( 1258 PWs) bands (ev): 6.9222 6.9222 9.0049 9.0049 9.8536 9.8536 11.1005 11.1005 11.6073 11.6073 11.6465 11.6465 12.9759 12.9759 13.4765 13.4765 14.8746 14.8746 15.4881 15.4881 15.9754 15.9754 17.0283 17.0283 17.1419 17.1419 19.2169 19.2169 21.8673 21.8673 23.2777 23.2777 24.7815 24.7815 k = 0.4375 0.3969-0.0000 ( 1260 PWs) bands (ev): 6.9327 6.9327 9.0525 9.0525 9.8316 9.8316 11.1283 11.1283 11.5951 11.5951 11.6403 11.6403 12.9444 12.9444 13.4702 13.4702 14.8294 14.8294 15.4971 15.4971 15.9684 15.9684 17.0293 17.0293 17.1301 17.1301 19.2129 19.2129 21.9436 21.9436 23.2719 23.2719 24.8788 24.8788 k = 0.4323 0.4059-0.0000 ( 1260 PWs) bands (ev): 6.9438 6.9438 9.1040 9.1040 9.8096 9.8096 11.1559 11.1559 11.5812 11.5812 11.6347 11.6347 12.9108 12.9108 13.4630 13.4630 14.7828 14.7828 15.5040 15.5040 15.9647 15.9647 17.0305 17.0305 17.1178 17.1178 19.2084 19.2084 22.0255 22.0255 23.2656 23.2656 24.9801 24.9801 k = 0.4271 0.4150-0.0000 ( 1256 PWs) bands (ev): 6.9554 6.9554 9.1593 9.1593 9.7878 9.7878 11.1826 11.1826 11.5653 11.5653 11.6302 11.6302 12.8755 12.8755 13.4548 13.4548 14.7348 14.7348 15.5092 15.5092 15.9644 15.9644 17.0317 17.0317 17.1052 17.1052 19.2035 19.2035 22.1125 22.1125 23.2591 23.2591 25.0842 25.0842 k = 0.4219 0.4240-0.0000 ( 1256 PWs) bands (ev): 6.9674 6.9674 9.2182 9.2182 9.7662 9.7662 11.2078 11.2078 11.5470 11.5470 11.6272 11.6272 12.8388 12.8388 13.4458 13.4458 14.6855 14.6855 15.5131 15.5131 15.9676 15.9676 17.0322 17.0322 17.0930 17.0930 19.1982 19.1982 22.2045 22.2045 23.2522 23.2522 25.1903 25.1903 k = 0.4167 0.4330-0.0000 ( 1256 PWs) bands (ev): 6.9797 6.9797 9.2808 9.2808 9.7451 9.7451 11.2310 11.2310 11.5260 11.5260 11.6263 11.6263 12.8008 12.8008 13.4363 13.4363 14.6349 14.6349 15.5164 15.5164 15.9739 15.9739 17.0310 17.0310 17.0821 17.0821 19.1924 19.1924 22.3010 22.3010 23.2452 23.2452 25.2970 25.2971 k = 0.4115 0.4420-0.0000 ( 1250 PWs) bands (ev): 6.9923 6.9923 9.3468 9.3468 9.7247 9.7247 11.2516 11.2516 11.5018 11.5018 11.6281 11.6281 12.7619 12.7619 13.4266 13.4266 14.5833 14.5833 15.5195 15.5195 15.9831 15.9831 17.0262 17.0262 17.0744 17.0744 19.1863 19.1863 22.4019 22.4019 23.2381 23.2381 25.4034 25.4034 k = 0.4062 0.4511-0.0000 ( 1250 PWs) bands (ev): 7.0049 7.0049 9.4161 9.4161 9.7050 9.7050 11.2688 11.2688 11.4740 11.4740 11.6331 11.6331 12.7225 12.7225 13.4172 13.4172 14.5307 14.5307 15.5230 15.5230 15.9947 15.9947 17.0166 17.0166 17.0710 17.0710 19.1798 19.1798 22.5068 22.5068 23.2310 23.2310 25.5078 25.5078 k = 0.4010 0.4601-0.0000 ( 1250 PWs) bands (ev): 7.0176 7.0176 9.4886 9.4886 9.6861 9.6861 11.2825 11.2825 11.4423 11.4423 11.6415 11.6415 12.6828 12.6828 13.4087 13.4087 14.4773 14.4773 15.5274 15.5274 16.0083 16.0083 17.0028 17.0028 17.0713 17.0713 19.1730 19.1730 22.6154 22.6154 23.2241 23.2241 25.6013 25.6013 k = 0.3958 0.4691-0.0000 ( 1250 PWs) bands (ev): 7.0302 7.0302 9.5641 9.5641 9.6682 9.6682 11.2923 11.2923 11.4064 11.4064 11.6534 11.6534 12.6432 12.6432 13.4015 13.4015 14.4232 14.4232 15.5329 15.5329 16.0235 16.0235 16.9864 16.9864 17.0737 17.0737 19.1660 19.1660 22.7273 22.7273 23.2173 23.2173 25.5641 25.5641 k = 0.3906 0.4781-0.0000 ( 1252 PWs) bands (ev): 7.0426 7.0426 9.6423 9.6423 9.6515 9.6515 11.2982 11.2982 11.3662 11.3662 11.6685 11.6685 12.6042 12.6042 13.3963 13.3963 14.3688 14.3688 15.5397 15.5397 16.0398 16.0398 16.9682 16.9682 17.0771 17.0771 19.1589 19.1589 22.8422 22.8422 23.2110 23.2110 25.4781 25.4781 k = 0.3854 0.4871-0.0000 ( 1252 PWs) bands (ev): 7.0547 7.0547 9.6356 9.6356 9.7234 9.7234 11.2987 11.2987 11.3234 11.3234 11.6862 11.6862 12.5661 12.5661 13.3935 13.3935 14.3143 14.3143 15.5476 15.5476 16.0569 16.0569 16.9489 16.9489 17.0812 17.0812 19.1517 19.1517 22.9596 22.9596 23.2052 23.2052 25.3866 25.3866 k = 0.3802 0.4962-0.0000 ( 1252 PWs) bands (ev): 7.0664 7.0664 9.6211 9.6211 9.8066 9.8066 11.2666 11.2666 11.3058 11.3058 11.7059 11.7059 12.5293 12.5293 13.3936 13.3936 14.2599 14.2599 15.5566 15.5566 16.0745 16.0745 16.9287 16.9287 17.0855 17.0855 19.1446 19.1446 23.0784 23.0784 23.2006 23.2006 25.2910 25.2910 k = 0.3750 0.5052-0.0000 ( 1254 PWs) bands (ev): 7.0775 7.0775 9.6078 9.6078 9.8918 9.8918 11.2126 11.2126 11.3031 11.3031 11.7266 11.7266 12.4942 12.4942 13.3969 13.3969 14.2062 14.2062 15.5662 15.5662 16.0924 16.0924 16.9081 16.9081 17.0898 17.0898 19.1377 19.1377 23.1797 23.1797 23.2160 23.2160 25.1917 25.1917 k = 0.3698 0.5142-0.0000 ( 1252 PWs) bands (ev): 7.0879 7.0879 9.5960 9.5960 9.9787 9.9787 11.1530 11.1530 11.3000 11.3000 11.7476 11.7476 12.4615 12.4615 13.4034 13.4034 14.1537 14.1537 15.5763 15.5763 16.1101 16.1101 16.8873 16.8873 17.0940 17.0940 19.1311 19.1311 23.1859 23.1859 23.3285 23.3285 25.0890 25.0890 k = 0.3646 0.5232-0.0000 ( 1252 PWs) bands (ev): 7.0975 7.0975 9.5855 9.5855 10.0666 10.0666 11.0889 11.0889 11.2961 11.2961 11.7679 11.7679 12.4315 12.4315 13.4130 13.4130 14.1030 14.1030 15.5863 15.5863 16.1275 16.1275 16.8668 16.8668 17.0979 17.0979 19.1249 19.1249 23.1827 23.1827 23.4518 23.4518 24.9833 24.9833 k = 0.3594 0.5322-0.0000 ( 1256 PWs) bands (ev): 7.1060 7.1060 9.5765 9.5765 10.1550 10.1550 11.0209 11.0209 11.2919 11.2919 11.7867 11.7867 12.4049 12.4049 13.4252 13.4252 14.0550 14.0550 15.5957 15.5957 16.1440 16.1440 16.8471 16.8471 17.1015 17.1015 19.1194 19.1194 23.1796 23.1796 23.5759 23.5759 24.8751 24.8751 k = 0.3542 0.5413-0.0000 ( 1252 PWs) bands (ev): 7.1135 7.1135 9.5691 9.5691 10.2431 10.2431 10.9500 10.9500 11.2876 11.2876 11.8033 11.8033 12.3823 12.3823 13.4393 13.4393 14.0111 14.0111 15.6042 15.6042 16.1592 16.1592 16.8288 16.8288 17.1046 17.1046 19.1146 19.1146 23.1770 23.1770 23.6994 23.6994 24.7653 24.7653 k = 0.3490 0.5503-0.0000 ( 1256 PWs) bands (ev): 7.1196 7.1196 9.5632 9.5632 10.3293 10.3293 10.8775 10.8775 11.2835 11.2835 11.8168 11.8168 12.3643 12.3643 13.4538 13.4538 13.9729 13.9729 15.6113 15.6113 16.1725 16.1725 16.8127 16.8127 17.1071 17.1071 19.1107 19.1107 23.1750 23.1750 23.8201 23.8201 24.6554 24.6554 k = 0.3438 0.5593-0.0000 ( 1260 PWs) bands (ev): 7.1242 7.1242 9.5589 9.5589 10.4107 10.4107 10.8063 10.8063 11.2802 11.2802 11.8267 11.8267 12.3513 12.3513 13.4668 13.4668 13.9426 13.9426 15.6167 15.6167 16.1830 16.1830 16.7999 16.7999 17.1090 17.1090 19.1078 19.1078 23.1737 23.1737 23.9340 23.9340 24.5495 24.5495 k = 0.3385 0.5683-0.0000 ( 1268 PWs) bands (ev): 7.1271 7.1271 9.5563 9.5563 10.4796 10.4796 10.7439 10.7439 11.2778 11.2778 11.8326 11.8326 12.3436 12.3436 13.4761 13.4761 13.9227 13.9227 15.6200 15.6200 16.1900 16.1900 16.7914 16.7914 17.1102 17.1102 19.1059 19.1059 23.1729 23.1729 24.0292 24.0292 24.4591 24.4591 k = 0.3333 0.5774-0.0000 ( 1272 PWs) bands (ev): 7.1281 7.1281 9.5554 9.5554 10.5113 10.5113 10.7145 10.7145 11.2769 11.2769 11.8345 11.8345 12.3411 12.3411 13.4795 13.4795 13.9157 13.9157 15.6211 15.6211 16.1925 16.1925 16.7884 16.7884 17.1106 17.1106 19.1053 19.1053 23.1727 23.1727 24.0721 24.0721 24.4178 24.4178 k = 0.3333 0.5774-0.0000 ( 1272 PWs) bands (ev): 7.1281 7.1281 9.5554 9.5554 10.5113 10.5113 10.7145 10.7145 11.2769 11.2769 11.8345 11.8345 12.3411 12.3411 13.4795 13.4795 13.9157 13.9157 15.6211 15.6211 16.1925 16.1925 16.7884 16.7884 17.1106 17.1106 19.1053 19.1053 23.1727 23.1727 24.0721 24.0721 24.4178 24.4178 k = 0.3280 0.5682-0.0000 ( 1268 PWs) bands (ev): 7.1269 7.1269 9.5564 9.5564 10.4796 10.4796 10.7435 10.7435 11.2780 11.2780 11.8327 11.8327 12.3435 12.3435 13.4759 13.4759 13.9231 13.9231 15.6200 15.6200 16.1897 16.1897 16.7918 16.7918 17.1102 17.1102 19.1060 19.1060 23.1728 23.1728 24.0276 24.0276 24.4606 24.4606 k = 0.3228 0.5590-0.0000 ( 1264 PWs) bands (ev): 7.1234 7.1234 9.5591 9.5591 10.4129 10.4129 10.8017 10.8017 11.2820 11.2820 11.8278 11.8278 12.3502 12.3502 13.4659 13.4659 13.9446 13.9446 15.6166 15.6166 16.1812 16.1812 16.8024 16.8024 17.1089 17.1089 19.1080 19.1080 23.1728 23.1728 23.9290 23.9290 24.5545 24.5545 k = 0.3175 0.5499-0.0000 ( 1264 PWs) bands (ev): 7.1172 7.1172 9.5638 9.5638 10.3361 10.3361 10.8629 10.8629 11.2897 11.2897 11.8206 11.8206 12.3603 12.3603 13.4517 13.4517 13.9783 13.9783 15.6113 15.6113 16.1670 16.1670 16.8204 16.8204 17.1067 17.1067 19.1112 19.1112 23.1717 23.1717 23.8113 23.8113 24.6647 24.6647 k = 0.3122 0.5407-0.0000 ( 1268 PWs) bands (ev): 7.1080 7.1080 9.5703 9.5703 10.2566 10.2566 10.9183 10.9183 11.3020 11.3020 11.8120 11.8120 12.3730 12.3730 13.4357 13.4357 14.0216 14.0216 15.6045 15.6045 16.1476 16.1476 16.8453 16.8453 17.1037 17.1037 19.1158 19.1158 23.1675 23.1675 23.6882 23.6882 24.7794 24.7794 k = 0.3069 0.5315-0.0000 ( 1269 PWs) bands (ev): 7.0956 7.0956 9.5788 9.5788 10.1772 10.1772 10.9638 10.9638 11.3198 11.3198 11.8027 11.8027 12.3877 12.3877 13.4203 13.4203 14.0725 14.0725 15.5969 15.5969 16.1238 16.1238 16.8766 16.8766 17.1001 17.1001 19.1216 19.1216 23.1561 23.1561 23.5680 23.5680 24.8942 24.8942 k = 0.3016 0.5224-0.0000 ( 1259 PWs) bands (ev): 7.0798 7.0798 9.5893 9.5893 10.0995 10.0995 10.9978 10.9978 11.3427 11.3427 11.7933 11.7933 12.4038 12.4038 13.4069 13.4069 14.1289 14.1289 15.5894 15.5894 16.0964 16.0964 16.9131 16.9131 17.0964 17.0964 19.1286 19.1286 23.1276 23.1276 23.4620 23.4620 25.0071 25.0071 k = 0.2963 0.5132-0.0000 ( 1255 PWs) bands (ev): 7.0601 7.0601 9.6018 9.6018 10.0244 10.0244 11.0206 11.0206 11.3692 11.3692 11.7842 11.7842 12.4211 12.4211 13.3964 13.3964 14.1895 14.1895 15.5831 15.5831 16.0663 16.0663 16.9529 16.9529 17.0939 17.0939 19.1365 19.1365 23.0663 23.0663 23.3871 23.3871 25.1169 25.1169 k = 0.2910 0.5040-0.0000 ( 1255 PWs) bands (ev): 7.0365 7.0365 9.6163 9.6163 9.9526 9.9526 11.0334 11.0334 11.3972 11.3972 11.7753 11.7753 12.4396 12.4396 13.3887 13.3887 14.2530 14.2530 15.5793 15.5793 16.0345 16.0345 16.9911 16.9911 17.0969 17.0969 19.1453 19.1453 22.9660 22.9660 23.3499 23.3499 25.2225 25.2225 k = 0.2857 0.4949-0.0000 ( 1259 PWs) bands (ev): 7.0086 7.0086 9.6329 9.6329 9.8849 9.8849 11.0382 11.0382 11.4245 11.4245 11.7664 11.7664 12.4594 12.4594 13.3835 13.3835 14.3183 14.3183 15.5794 15.5794 16.0017 16.0017 17.0168 17.0168 17.1160 17.1160 19.1547 19.1547 22.8389 22.8389 23.3384 23.3384 25.3234 25.3234 k = 0.2804 0.4857-0.0000 ( 1257 PWs) bands (ev): 6.9763 6.9763 9.6515 9.6515 9.8217 9.8217 11.0363 11.0363 11.4498 11.4498 11.7571 11.7571 12.4807 12.4807 13.3796 13.3796 14.3846 14.3846 15.5849 15.5849 15.9689 15.9689 17.0227 17.0227 17.1582 17.1582 19.1645 19.1645 22.6978 22.6978 23.3404 23.3404 25.4188 25.4188 k = 0.2751 0.4765-0.0000 ( 1257 PWs) bands (ev): 6.9394 6.9394 9.6722 9.6722 9.7635 9.7635 11.0288 11.0288 11.4729 11.4729 11.7470 11.7470 12.5035 12.5035 13.3756 13.3756 14.4507 14.4507 15.5972 15.5972 15.9370 15.9370 17.0168 17.0168 17.2153 17.2153 19.1746 19.1746 22.5488 22.5488 23.3498 23.3498 25.5083 25.5083 k = 0.2698 0.4674-0.0000 ( 1257 PWs) bands (ev): 6.8979 6.8979 9.6944 9.6944 9.7113 9.7113 11.0162 11.0162 11.4939 11.4939 11.7357 11.7357 12.5279 12.5279 13.3697 13.3697 14.5157 14.5157 15.6170 15.6170 15.9077 15.9077 17.0055 17.0055 17.2809 17.2809 19.1847 19.1847 22.3949 22.3949 23.3638 23.3638 25.5913 25.5913 k = 0.2646 0.4582-0.0000 ( 1257 PWs) bands (ev): 6.8517 6.8517 9.6631 9.6631 9.7203 9.7203 10.9989 10.9989 11.5135 11.5135 11.7231 11.7231 12.5537 12.5537 13.3601 13.3601 14.5786 14.5786 15.6433 15.6433 15.8842 15.8842 16.9909 16.9909 17.3527 17.3527 19.1946 19.1946 22.2375 22.2375 23.3813 23.3813 25.6675 25.6675 k = 0.2593 0.4491-0.0000 ( 1259 PWs) bands (ev): 6.8009 6.8009 9.6217 9.6217 9.7473 9.7473 10.9770 10.9770 11.5324 11.5324 11.7097 11.7097 12.5805 12.5805 13.3454 13.3454 14.6384 14.6384 15.6709 15.6709 15.8733 15.8733 16.9740 16.9740 17.4300 17.4300 19.2040 19.2040 22.0775 22.0775 23.4015 23.4015 25.7367 25.7367 k = 0.2540 0.4399-0.0000 ( 1259 PWs) bands (ev): 6.7455 6.7455 9.5862 9.5862 9.7765 9.7765 10.9505 10.9505 11.5512 11.5512 11.6957 11.6957 12.6082 12.6082 13.3244 13.3244 14.6940 14.6940 15.6885 15.6885 15.8879 15.8879 16.9549 16.9549 17.5125 17.5125 19.2126 19.2126 21.9154 21.9154 23.4241 23.4241 25.7985 25.7985 k = 0.2487 0.4307-0.0000 ( 1259 PWs) bands (ev): 6.6859 6.6859 9.5565 9.5565 9.8079 9.8079 10.9196 10.9196 11.5705 11.5705 11.6820 11.6820 12.6361 12.6361 13.2963 13.2963 14.7445 14.7445 15.6879 15.6879 15.9371 15.9371 16.9339 16.9339 17.6002 17.6002 19.2203 19.2203 21.7515 21.7515 23.4489 23.4489 25.8531 25.8531 k = 0.2434 0.4216-0.0000 ( 1259 PWs) bands (ev): 6.6222 6.6222 9.5326 9.5326 9.8414 9.8414 10.8843 10.8843 11.5903 11.5903 11.6694 11.6694 12.6641 12.6641 13.2611 13.2611 14.7889 14.7889 15.6745 15.6745 16.0157 16.0157 16.9109 16.9109 17.6932 17.6932 19.2268 19.2268 21.5862 21.5862 23.4756 23.4756 25.9002 25.9002 k = 0.2381 0.4124-0.0000 ( 1259 PWs) bands (ev): 6.5548 6.5548 9.5143 9.5143 9.8770 9.8770 10.8447 10.8447 11.6099 11.6099 11.6597 11.6597 12.6916 12.6916 13.2188 13.2188 14.8264 14.8264 15.6564 15.6564 16.1157 16.1157 16.8860 16.8860 17.7915 17.7915 19.2318 19.2318 21.4195 21.4195 23.5043 23.5043 25.9399 25.9399 k = 0.2328 0.4032-0.0000 ( 1267 PWs) bands (ev): 6.4839 6.4839 9.5015 9.5015 9.9147 9.9147 10.8012 10.8012 11.6246 11.6246 11.6582 11.6582 12.7182 12.7182 13.1703 13.1703 14.8563 14.8563 15.6380 15.6380 16.2325 16.2325 16.8592 16.8592 17.8952 17.8952 19.2351 19.2351 21.2518 21.2518 23.5348 23.5348 25.9722 25.9722 k = 0.2275 0.3941-0.0000 ( 1267 PWs) bands (ev): 6.4101 6.4101 9.4939 9.4939 9.9545 9.9545 10.7540 10.7540 11.6265 11.6265 11.6734 11.6734 12.7433 12.7433 13.1167 13.1167 14.8782 14.8782 15.6213 15.6213 16.3633 16.3633 16.8305 16.8305 18.0043 18.0043 19.2366 19.2366 21.0831 21.0831 23.5670 23.5670 25.9973 25.9973 k = 0.2222 0.3849-0.0000 ( 1267 PWs) bands (ev): 6.3336 6.3336 9.4912 9.4912 9.9963 9.9963 10.7035 10.7035 11.6231 11.6231 11.6980 11.6980 12.7657 12.7657 13.0598 13.0598 14.8916 14.8916 15.6073 15.6073 16.5061 16.5061 16.7999 16.7999 18.1188 18.1188 19.2360 19.2360 20.9137 20.9137 23.6009 23.6009 26.0154 26.0154 k = 0.2169 0.3757-0.0000 ( 1267 PWs) bands (ev): 6.2548 6.2548 9.4932 9.4932 10.0399 10.0399 10.6504 10.6504 11.6203 11.6203 11.7264 11.7264 12.7827 12.7827 13.0031 13.0031 14.8967 14.8967 15.5964 15.5964 16.6593 16.6593 16.7675 16.7675 18.2387 18.2387 19.2331 19.2331 20.7436 20.7436 23.6364 23.6364 26.0268 26.0268 k = 0.2116 0.3666-0.0000 ( 1267 PWs) bands (ev): 6.1742 6.1742 9.4996 9.4996 10.0851 10.0851 10.5951 10.5951 11.6196 11.6196 11.7572 11.7572 12.7868 12.7868 12.9547 12.9547 14.8939 14.8939 15.5884 15.5884 16.7322 16.7322 16.8226 16.8226 18.3639 18.3639 19.2278 19.2278 20.5731 20.5731 23.6735 23.6735 26.0317 26.0317 k = 0.2063 0.3574-0.0000 ( 1267 PWs) bands (ev): 6.0921 6.0921 9.5101 9.5101 10.1312 10.1312 10.5387 10.5387 11.6212 11.6212 11.7902 11.7902 12.7645 12.7645 12.9292 12.9292 14.8839 14.8839 15.5829 15.5829 16.6959 16.6959 16.9930 16.9930 18.4942 18.4942 19.2201 19.2201 20.4022 20.4022 23.7121 23.7121 26.0308 26.0308 k = 0.2011 0.3482-0.0000 ( 1271 PWs) bands (ev): 6.0088 6.0088 9.5244 9.5244 10.1771 10.1771 10.4829 10.4829 11.6253 11.6253 11.8251 11.8251 12.7135 12.7135 12.9294 12.9294 14.8676 14.8676 15.5790 15.5790 16.6575 16.6575 17.1708 17.1708 18.6292 18.6292 19.2097 19.2097 20.2312 20.2312 23.7521 23.7521 26.0244 26.0244 k = 0.1958 0.3391-0.0000 ( 1271 PWs) bands (ev): 5.9248 5.9248 9.5422 9.5422 10.2185 10.2185 10.4320 10.4320 11.6319 11.6319 11.8619 11.8619 12.6471 12.6471 12.9427 12.9427 14.8460 14.8460 15.5760 15.5760 16.6170 16.6170 17.3548 17.3548 18.7684 18.7684 19.1970 19.1970 20.0603 20.0603 23.7936 23.7936 26.0134 26.0134 k = 0.1905 0.3299-0.0000 ( 1269 PWs) bands (ev): 5.8404 5.8404 9.5632 9.5632 10.2421 10.2421 10.4000 10.4000 11.6409 11.6409 11.9004 11.9004 12.5743 12.5743 12.9608 12.9608 14.8203 14.8203 15.5730 15.5730 16.5747 16.5747 17.5443 17.5443 18.9103 18.9103 19.1828 19.1828 19.8901 19.8901 23.8364 23.8364 25.9981 25.9981 k = 0.1852 0.3208-0.0000 ( 1265 PWs) bands (ev): 5.7558 5.7558 9.5873 9.5873 10.2250 10.2250 10.4097 10.4097 11.6524 11.6524 11.9405 11.9405 12.4987 12.4987 12.9808 12.9808 14.7912 14.7912 15.5695 15.5695 16.5303 16.5303 17.7386 17.7386 19.0474 19.0474 19.1732 19.1732 19.7216 19.7216 23.8805 23.8805 25.9792 25.9792 k = 0.1799 0.3116-0.0000 ( 1265 PWs) bands (ev): 5.6714 5.6714 9.6141 9.6141 10.1772 10.1772 10.4516 10.4516 11.6662 11.6662 11.9819 11.9819 12.4220 12.4220 13.0014 13.0014 14.7595 14.7595 15.5648 15.5648 16.4841 16.4841 17.9369 17.9369 19.1135 19.1135 19.2289 19.2289 19.5603 19.5603 23.9257 23.9257 25.9572 25.9572 k = 0.1746 0.3024-0.0000 ( 1263 PWs) bands (ev): 5.5874 5.5874 9.6434 9.6434 10.1184 10.1184 10.5063 10.5063 11.6822 11.6822 12.0244 12.0244 12.3456 12.3456 13.0222 13.0222 14.7261 14.7261 15.5585 15.5585 16.4361 16.4361 18.1385 18.1385 19.0990 19.0990 19.2995 19.2995 19.4664 19.4664 23.9721 23.9721 25.9327 25.9327 k = 0.1693 0.2933-0.0000 ( 1263 PWs) bands (ev): 5.5040 5.5040 9.6749 9.6749 10.0556 10.0556 10.5668 10.5668 11.7003 11.7003 12.0670 12.0670 12.2712 12.2712 13.0429 13.0429 14.6914 14.6914 15.5504 15.5504 16.3862 16.3862 18.3424 18.3424 19.0716 19.0716 19.1803 19.1803 19.5769 19.5769 24.0194 24.0194 25.9062 25.9062 k = 0.1640 0.2841-0.0000 ( 1263 PWs) bands (ev): 5.4216 5.4216 9.7084 9.7084 9.9914 9.9914 10.6311 10.6311 11.7202 11.7202 12.1045 12.1045 12.2041 12.2041 13.0634 13.0634 14.6559 14.6559 15.5401 15.5401 16.3346 16.3346 18.5468 18.5468 19.0071 19.0071 19.0537 19.0537 19.7350 19.7350 24.0677 24.0677 25.8780 25.8780 k = 0.1587 0.2749-0.0000 ( 1267 PWs) bands (ev): 5.3402 5.3402 9.7434 9.7434 9.9269 9.9269 10.6982 10.6982 11.7417 11.7417 12.0967 12.0967 12.1854 12.1854 13.0838 13.0838 14.6201 14.6201 15.5277 15.5277 16.2812 16.2812 18.7364 18.7364 18.8601 18.8601 19.0180 19.0180 19.9024 19.9024 24.1168 24.1168 25.8486 25.8486 k = 0.1534 0.2658-0.0000 ( 1267 PWs) bands (ev): 5.2600 5.2600 9.7782 9.7782 9.8641 9.8641 10.7677 10.7677 11.7641 11.7641 12.0367 12.0367 12.2228 12.2228 13.1040 13.1040 14.5843 14.5843 15.5130 15.5130 16.2263 16.2263 18.6655 18.6655 18.9209 18.9209 19.0325 19.0325 20.0749 20.0749 24.1666 24.1666 25.8185 25.8185 k = 0.1481 0.2566-0.0000 ( 1267 PWs) bands (ev): 5.1814 5.1814 9.7843 9.7843 9.8318 9.8318 10.8393 10.8393 11.7855 11.7855 11.9734 11.9734 12.2693 12.2693 13.1240 13.1240 14.5488 14.5488 15.4961 15.4961 16.1699 16.1699 18.5003 18.5003 18.9127 18.9127 19.2083 19.2083 20.2513 20.2513 24.2170 24.2170 25.7878 25.7878 k = 0.1429 0.2474-0.0000 ( 1267 PWs) bands (ev): 5.1043 5.1043 9.7271 9.7271 9.8646 9.8646 10.9128 10.9128 11.7989 11.7989 11.9206 11.9206 12.3181 12.3181 13.1440 13.1440 14.5139 14.5139 15.4769 15.4769 16.1121 16.1121 18.3324 18.3324 18.8726 18.8726 19.4170 19.4170 20.4310 20.4310 24.2678 24.2678 25.7568 25.7568 k = 0.1376 0.2383-0.0000 ( 1267 PWs) bands (ev): 5.0291 5.0291 9.6646 9.6646 9.9045 9.9045 10.9878 10.9878 11.7841 11.7841 11.9002 11.9002 12.3679 12.3679 13.1640 13.1640 14.4798 14.4798 15.4554 15.4554 16.0529 16.0529 18.1644 18.1644 18.8265 18.8265 19.6301 19.6301 20.6135 20.6135 24.3189 24.3189 25.7249 25.7250 k = 0.1323 0.2291-0.0000 ( 1267 PWs) bands (ev): 4.9557 4.9557 9.6023 9.6023 9.9460 9.9460 11.0641 11.0641 11.7389 11.7389 11.9146 11.9146 12.4182 12.4182 13.1842 13.1842 14.4468 14.4468 15.4319 15.4319 15.9926 15.9926 17.9967 17.9967 18.7770 18.7770 19.8445 19.8445 20.7985 20.7985 24.3701 24.3701 25.6392 25.6393 k = 0.1270 0.2199-0.0000 ( 1265 PWs) bands (ev): 4.8844 4.8844 9.5410 9.5410 9.9884 9.9884 11.1407 11.1407 11.6858 11.6858 11.9426 11.9426 12.4687 12.4687 13.2046 13.2046 14.4150 14.4150 15.4062 15.4062 15.9314 15.9314 17.8297 17.8297 18.7246 18.7246 20.0594 20.0594 20.9858 20.9858 24.4212 24.4212 25.5242 25.5242 k = 0.1217 0.2108-0.0000 ( 1267 PWs) bands (ev): 4.8152 4.8152 9.4809 9.4809 10.0312 10.0312 11.2164 11.2164 11.6345 11.6345 11.9756 11.9756 12.5190 12.5190 13.2255 13.2255 14.3847 14.3847 15.3785 15.3785 15.8693 15.8693 17.6635 17.6635 18.6698 18.6698 20.2740 20.2740 21.1749 21.1749 24.4721 24.4721 25.4123 25.4123 k = 0.1164 0.2016-0.0000 ( 1267 PWs) bands (ev): 4.7483 4.7483 9.4222 9.4222 10.0743 10.0743 11.2875 11.2875 11.5908 11.5908 12.0116 12.0116 12.5688 12.5688 13.2470 13.2470 14.3560 14.3560 15.3489 15.3489 15.8066 15.8066 17.4983 17.4983 18.6128 18.6128 20.4881 20.4881 21.3655 21.3655 24.5225 24.5225 25.3044 25.3044 k = 0.1111 0.1925-0.0000 ( 1279 PWs) bands (ev): 4.6837 4.6837 9.3651 9.3651 10.1173 10.1173 11.3440 11.3440 11.5654 11.5654 12.0495 12.0495 12.6180 12.6180 13.2692 13.2692 14.3291 14.3291 15.3174 15.3174 15.7435 15.7435 17.3340 17.3340 18.5540 18.5540 20.7012 20.7012 21.5571 21.5571 24.5720 24.5720 25.2008 25.2008 k = 0.1058 0.1833-0.0000 ( 1279 PWs) bands (ev): 4.6216 4.6216 9.3097 9.3097 10.1599 10.1599 11.3660 11.3660 11.5783 11.5783 12.0892 12.0892 12.6662 12.6662 13.2924 13.2924 14.3042 14.3042 15.2840 15.2840 15.6804 15.6804 17.1710 17.1710 18.4936 18.4936 20.9130 20.9130 21.7494 21.7494 24.6203 24.6203 25.1018 25.1018 k = 0.1005 0.1741-0.0000 ( 1281 PWs) bands (ev): 4.5621 4.5621 9.2563 9.2563 10.2019 10.2019 11.3512 11.3512 11.6319 11.6319 12.1303 12.1303 12.7131 12.7131 13.3166 13.3166 14.2814 14.2814 15.2488 15.2488 15.6176 15.6176 17.0093 17.0093 18.4321 18.4321 21.1232 21.1232 21.9419 21.9419 24.6664 24.6664 25.0081 25.0081 k = 0.0952 0.1650-0.0000 ( 1281 PWs) bands (ev): 4.5052 4.5052 9.2048 9.2048 10.2429 10.2429 11.3205 11.3205 11.7054 11.7054 12.1727 12.1727 12.7587 12.7587 13.3421 13.3421 14.2609 14.2609 15.2116 15.2116 15.5553 15.5553 16.8489 16.8489 18.3696 18.3696 21.3316 21.3316 22.1339 22.1339 24.7084 24.7084 24.9219 24.9219 k = 0.0899 0.1558-0.0000 ( 1287 PWs) bands (ev): 4.4509 4.4509 9.1554 9.1554 10.2826 10.2826 11.2859 11.2859 11.7863 11.7863 12.2161 12.2161 12.8029 12.8029 13.3689 13.3689 14.2428 14.2428 15.1725 15.1725 15.4942 15.4942 16.6902 16.6902 18.3066 18.3066 21.5377 21.5377 22.3248 22.3248 24.7364 24.7364 24.8527 24.8527 k = 0.0847 0.1466-0.0000 ( 1287 PWs) bands (ev): 4.3994 4.3994 9.1083 9.1083 10.3207 10.3207 11.2517 11.2517 11.8701 11.8701 12.2606 12.2606 12.8458 12.8458 13.3970 13.3970 14.2272 14.2272 15.1313 15.1313 15.4347 15.4347 16.5331 16.5331 18.2434 18.2434 21.7413 21.7413 22.5139 22.5139 24.7133 24.7133 24.8375 24.8375 k = 0.0794 0.1375-0.0000 ( 1283 PWs) bands (ev): 4.3508 4.3508 9.0635 9.0635 10.3568 10.3568 11.2198 11.2198 11.9544 11.9544 12.3060 12.3060 12.8876 12.8876 13.4263 13.4263 14.2143 14.2143 15.0877 15.0877 15.3773 15.3773 16.3780 16.3780 18.1805 18.1805 21.9420 21.9420 22.7004 22.7004 24.6505 24.6505 24.8648 24.8648 k = 0.0741 0.1283-0.0000 ( 1291 PWs) bands (ev): 4.3050 4.3050 9.0211 9.0211 10.3905 10.3905 11.1908 11.1908 12.0376 12.0376 12.3523 12.3523 12.9288 12.9288 13.4566 13.4566 14.2042 14.2042 15.0418 15.0418 15.3226 15.3226 16.2249 16.2249 18.1182 18.1182 22.1394 22.1394 22.8833 22.8833 24.5835 24.5835 24.8988 24.8988 k = 0.0688 0.1191-0.0000 ( 1297 PWs) bands (ev): 4.2622 4.2622 8.9812 8.9812 10.4215 10.4215 11.1654 11.1654 12.1184 12.1184 12.3994 12.3994 12.9704 12.9704 13.4877 13.4877 14.1968 14.1968 14.9933 14.9933 15.2710 15.2710 16.0743 16.0743 18.0570 18.0570 22.3331 22.3331 23.0615 23.0615 24.5197 24.5197 24.9321 24.9321 k = 0.0635 0.1100-0.0000 ( 1293 PWs) bands (ev): 4.2223 4.2223 8.9440 8.9440 10.4494 10.4494 11.1437 11.1437 12.1952 12.1952 12.4472 12.4472 13.0132 13.0132 13.5192 13.5192 14.1922 14.1922 14.9424 14.9424 15.2228 15.2228 15.9266 15.9266 17.9973 17.9973 22.5224 22.5224 23.2336 23.2336 24.4612 24.4612 24.9628 24.9628 k = 0.0582 0.1008-0.0000 ( 1293 PWs) bands (ev): 4.1855 4.1855 8.9094 8.9094 10.4740 10.4740 11.1260 11.1260 12.2665 12.2665 12.4954 12.4954 13.0588 13.0588 13.5508 13.5508 14.1903 14.1903 14.8892 14.8892 15.1782 15.1782 15.7821 15.7821 17.9398 17.9398 22.7067 22.7067 23.3980 23.3980 24.4090 24.4090 24.9901 24.9901 k = 0.0529 0.0916-0.0000 ( 1289 PWs) bands (ev): 4.1518 4.1518 8.8776 8.8776 10.4951 10.4951 11.1122 11.1122 12.3313 12.3313 12.5431 12.5431 13.1087 13.1087 13.5820 13.5820 14.1909 14.1909 14.8340 14.8340 15.1368 15.1368 15.6418 15.6418 17.8847 17.8847 22.8850 22.8850 23.5525 23.5525 24.3644 24.3644 25.0136 25.0136 k = 0.0476 0.0825-0.0000 ( 1289 PWs) bands (ev): 4.1212 4.1212 8.8486 8.8486 10.5126 10.5126 11.1022 11.1022 12.3886 12.3886 12.5892 12.5892 13.1644 13.1644 13.6126 13.6126 14.1937 14.1937 14.7771 14.7771 15.0982 15.0982 15.5067 15.5067 17.8328 17.8328 23.0562 23.0562 23.6938 23.6938 24.3296 24.3296 25.0333 25.0333 k = 0.0423 0.0733-0.0000 ( 1293 PWs) bands (ev): 4.0937 4.0937 8.8225 8.8225 10.5267 10.5267 11.0955 11.0955 12.4386 12.4386 12.6320 12.6320 13.2271 13.2271 13.6420 13.6420 14.1983 14.1983 14.7188 14.7188 15.0613 15.0613 15.3789 15.3789 17.7844 17.7844 23.2188 23.2188 23.8171 23.8171 24.3083 24.3083 25.0493 25.0493 k = 0.0370 0.0642-0.0000 ( 1293 PWs) bands (ev): 4.0693 4.0693 8.7994 8.7994 10.5377 10.5377 11.0918 11.0918 12.4815 12.4815 12.6700 12.6700 13.2972 13.2972 13.6700 13.6700 14.2043 14.2043 14.6590 14.6590 15.0239 15.0239 15.2619 15.2619 17.7402 17.7402 23.3708 23.3708 23.9148 23.9148 24.3069 24.3069 25.0619 25.0619 k = 0.0317 0.0550-0.0000 ( 1293 PWs) bands (ev): 4.0482 4.0482 8.7792 8.7792 10.5459 10.5459 11.0903 11.0903 12.5178 12.5178 12.7024 12.7024 13.3744 13.3744 13.6962 13.6962 14.2110 14.2110 14.5974 14.5974 14.9813 14.9813 15.1625 15.1625 17.7006 17.7006 23.5099 23.5099 23.9796 23.9796 24.3316 24.3316 25.0717 25.0717 k = 0.0265 0.0458-0.0000 ( 1293 PWs) bands (ev): 4.0303 4.0303 8.7621 8.7621 10.5517 10.5517 11.0906 11.0906 12.5481 12.5481 12.7289 12.7289 13.4572 13.4572 13.7202 13.7202 14.2178 14.2178 14.5333 14.5333 14.9270 14.9270 15.0899 15.0899 17.6661 17.6661 23.6327 23.6327 24.0140 24.0140 24.3792 24.3792 25.0792 25.0792 k = 0.0212 0.0367-0.0000 ( 1293 PWs) bands (ev): 4.0156 4.0156 8.7480 8.7480 10.5558 10.5558 11.0918 11.0918 12.5725 12.5725 12.7497 12.7497 13.5433 13.5433 13.7414 13.7414 14.2240 14.2240 14.4663 14.4663 14.8633 14.8633 15.0452 15.0452 17.6372 17.6372 23.7351 23.7351 24.0314 24.0314 24.4361 24.4361 25.0849 25.0849 k = 0.0159 0.0275-0.0000 ( 1293 PWs) bands (ev): 4.0042 4.0042 8.7371 8.7371 10.5585 10.5585 11.0934 11.0934 12.5914 12.5914 12.7653 12.7653 13.6288 13.6288 13.7595 13.7595 14.2284 14.2284 14.3975 14.3975 14.8033 14.8033 15.0188 15.0188 17.6143 17.6143 23.8122 23.8122 24.0449 24.0449 24.4894 24.4894 25.0891 25.0891 k = 0.0106 0.0183-0.0000 ( 1293 PWs) bands (ev): 3.9960 3.9960 8.7292 8.7292 10.5601 10.5601 11.0949 11.0949 12.6049 12.6049 12.7760 12.7760 13.7065 13.7065 13.7746 13.7746 14.2290 14.2290 14.3331 14.3331 14.7569 14.7569 15.0030 15.0030 17.5976 17.5976 23.8613 23.8613 24.0605 24.0605 24.5313 24.5313 25.0920 25.0920 k = 0.0053 0.0092-0.0000 ( 1289 PWs) bands (ev): 3.9911 3.9911 8.7245 8.7245 10.5609 10.5609 11.0960 11.0960 12.6129 12.6129 12.7823 12.7823 13.7592 13.7592 13.7917 13.7917 14.2216 14.2216 14.2883 14.2883 14.7283 14.7283 14.9943 14.9943 17.5876 17.5876 23.8860 23.8860 24.0752 24.0752 24.5578 24.5578 25.0938 25.0938 k = 0.0000 0.0000 0.0000 ( 1289 PWs) bands (ev): 3.9895 3.9895 8.7229 8.7229 10.5612 10.5612 11.0964 11.0964 12.6156 12.6156 12.7844 12.7844 13.7716 13.7716 13.8068 13.8068 14.2132 14.2132 14.2751 14.2751 14.7187 14.7187 14.9915 14.9915 17.5842 17.5842 23.8931 23.8931 24.0812 24.0812 24.5669 24.5669 25.0944 25.0944 k = 0.0000 0.0000 0.0000 ( 1289 PWs) bands (ev): 3.9895 3.9895 8.7229 8.7229 10.5612 10.5612 11.0964 11.0964 12.6156 12.6156 12.7844 12.7844 13.7716 13.7716 13.8068 13.8068 14.2132 14.2132 14.2751 14.2751 14.7187 14.7187 14.9915 14.9915 17.5842 17.5842 23.8931 23.8931 24.0812 24.0812 24.5669 24.5669 25.0944 25.0944 k = 0.0000 0.0000 0.0106 ( 1288 PWs) bands (ev): 3.9910 3.9910 8.7209 8.7209 10.5607 10.5607 11.0950 11.0950 12.6190 12.6190 12.7828 12.7828 13.7680 13.7680 13.7975 13.7975 14.1509 14.1509 14.3439 14.3439 14.7266 14.7266 14.9913 14.9913 17.5913 17.5913 23.8916 23.8916 24.0798 24.0798 24.5654 24.5654 25.0757 25.0757 k = 0.0000 0.0000 0.0212 ( 1288 PWs) bands (ev): 3.9957 3.9957 8.7149 8.7149 10.5591 10.5591 11.0909 11.0909 12.6292 12.6292 12.7779 12.7779 13.7581 13.7581 13.7691 13.7691 14.0749 14.0749 14.4402 14.4402 14.7498 14.7498 14.9905 14.9905 17.6126 17.6126 23.8870 23.8870 24.0754 24.0754 24.5609 24.5609 25.0223 25.0223 k = 0.0000 0.0000 0.0318 ( 1288 PWs) bands (ev): 4.0035 4.0035 8.7047 8.7047 10.5566 10.5566 11.0842 11.0842 12.6461 12.6461 12.7691 12.7691 13.7209 13.7209 13.7440 13.7440 14.0095 14.0095 14.5405 14.5405 14.7865 14.7865 14.9892 14.9892 17.6477 17.6477 23.8794 23.8794 24.0681 24.0681 24.5534 24.5534 24.9406 24.9406 k = 0.0000 0.0000 0.0424 ( 1288 PWs) bands (ev): 4.0145 4.0145 8.6905 8.6905 10.5531 10.5531 11.0751 11.0751 12.6694 12.6694 12.7559 12.7559 13.6551 13.6551 13.7284 13.7284 13.9554 13.9554 14.6426 14.6426 14.8344 14.8344 14.9874 14.9874 17.6961 17.6961 23.8689 23.8689 24.0579 24.0579 24.5429 24.5429 24.8378 24.8378 k = 0.0000 0.0000 0.0530 ( 1288 PWs) bands (ev): 4.0285 4.0285 8.6722 8.6722 10.5488 10.5488 11.0640 11.0640 12.6987 12.6987 12.7373 12.7373 13.5765 13.5765 13.7144 13.7144 13.9091 13.9091 14.7455 14.7455 14.8913 14.8913 14.9851 14.9851 17.7572 17.7572 23.8556 23.8556 24.0446 24.0446 24.5295 24.5295 24.7205 24.7205 k = 0.0000 0.0000 0.0637 ( 1288 PWs) bands (ev): 4.0456 4.0456 8.6498 8.6498 10.5438 10.5438 11.0512 11.0512 12.7128 12.7128 12.7337 12.7337 13.4903 13.4903 13.7045 13.7045 13.8670 13.8670 14.8486 14.8486 14.9550 14.9550 14.9823 14.9823 17.8301 17.8301 23.8396 23.8396 24.0284 24.0284 24.5131 24.5131 24.5936 24.5936 k = 0.0000 0.0000 0.0743 ( 1294 PWs) bands (ev): 4.0658 4.0658 8.6232 8.6232 10.5382 10.5382 11.0371 11.0371 12.6817 12.6817 12.7739 12.7739 13.4002 13.4002 13.7008 13.7008 13.8266 13.8266 14.9512 14.9512 14.9791 14.9791 15.0237 15.0237 17.9139 17.9139 23.8210 23.8210 24.0089 24.0089 24.4609 24.4609 24.4938 24.4938 k = 0.0000 0.0000 0.0849 ( 1282 PWs) bands (ev): 4.0891 4.0891 8.5924 8.5924 10.5322 10.5322 11.0220 11.0220 12.6439 12.6439 12.8189 12.8189 13.3082 13.3082 13.7046 13.7046 13.7870 13.7870 14.9753 14.9753 15.0529 15.0529 15.0959 15.0959 18.0079 18.0079 23.8001 23.8002 23.9863 23.9863 24.3251 24.3251 24.4715 24.4715 k = 0.0000 0.0000 0.0955 ( 1282 PWs) bands (ev): 4.1154 4.1154 8.5575 8.5575 10.5259 10.5259 11.0063 11.0063 12.5997 12.5997 12.8682 12.8682 13.2156 13.2156 13.7166 13.7166 13.7479 13.7479 14.9711 14.9711 15.1534 15.1534 15.1704 15.1704 18.1111 18.1111 23.7770 23.7770 23.9603 23.9603 24.1880 24.1880 24.4464 24.4464 k = 0.0000 0.0000 0.1061 ( 1288 PWs) bands (ev): 4.1448 4.1448 8.5182 8.5182 10.5195 10.5195 10.9904 10.9904 12.5496 12.5496 12.9214 12.9214 13.1232 13.1232 13.7095 13.7095 13.7369 13.7369 14.9666 14.9666 15.2462 15.2462 15.2523 15.2523 18.2226 18.2226 23.7519 23.7519 23.9309 23.9309 24.0511 24.0511 24.4184 24.4184 k = 0.0000 0.0000 0.1167 ( 1288 PWs) bands (ev): 4.1772 4.1772 8.4749 8.4749 10.5131 10.5131 10.9745 10.9745 12.4944 12.4944 12.9780 12.9780 13.0315 13.0315 13.6722 13.6722 13.7651 13.7651 14.9617 14.9617 15.3225 15.3225 15.3490 15.3490 18.3418 18.3418 23.7250 23.7250 23.8976 23.8976 23.9157 23.9157 24.3877 24.3877 k = 0.0000 0.0000 0.1273 ( 1288 PWs) bands (ev): 4.2125 4.2125 8.4274 8.4274 10.5070 10.5070 10.9589 10.9589 12.4349 12.4349 12.9408 12.9408 13.0377 13.0377 13.6364 13.6364 13.8007 13.8007 14.9565 14.9565 15.3984 15.3984 15.4433 15.4433 18.4677 18.4677 23.6966 23.6966 23.7827 23.7827 23.8604 23.8604 24.3542 24.3542 k = 0.0000 0.0000 0.1379 ( 1288 PWs) bands (ev): 4.2508 4.2508 8.3758 8.3758 10.5012 10.5012 10.9439 10.9439 12.3720 12.3720 12.8513 12.8513 13.0998 13.0998 13.6028 13.6028 13.8431 13.8431 14.9512 14.9512 15.4735 15.4735 15.5348 15.5348 18.5997 18.5997 23.6529 23.6529 23.6667 23.6667 23.8188 23.8188 24.3180 24.3180 k = 0.0000 0.0000 0.1485 ( 1294 PWs) bands (ev): 4.2921 4.2921 8.3201 8.3201 10.4959 10.4959 10.9298 10.9298 12.3065 12.3065 12.7631 12.7631 13.1641 13.1641 13.5716 13.5716 13.8915 13.8915 14.9458 14.9458 15.5470 15.5470 15.6229 15.6229 18.7372 18.7372 23.5269 23.5269 23.6357 23.6357 23.7724 23.7724 24.2793 24.2793 k = 0.0000 0.0000 0.1591 ( 1306 PWs) bands (ev): 4.3362 4.3362 8.2604 8.2604 10.4913 10.4913 10.9166 10.9166 12.2391 12.2391 12.6765 12.6765 13.2300 13.2300 13.5432 13.5432 13.9454 13.9454 14.9405 14.9405 15.6184 15.6184 15.7073 15.7073 18.8795 18.8795 23.4057 23.4057 23.6036 23.6036 23.7209 23.7209 24.2382 24.2382 k = 0.0000 0.0000 0.1697 ( 1294 PWs) bands (ev): 4.3832 4.3832 8.1969 8.1969 10.4876 10.4876 10.9047 10.9047 12.1704 12.1704 12.5914 12.5914 13.2971 13.2971 13.5181 13.5181 14.0041 14.0041 14.9356 14.9356 15.6872 15.6872 15.7875 15.7875 19.0260 19.0260 23.2896 23.2896 23.5707 23.5707 23.6644 23.6644 24.1555 24.1555 k = 0.0000 0.0000 0.1804 ( 1294 PWs) bands (ev): 4.4330 4.4330 8.1296 8.1296 10.4847 10.4847 10.8942 10.8942 12.1009 12.1009 12.5080 12.5080 13.3648 13.3648 13.4963 13.4963 14.0672 14.0672 14.9313 14.9313 15.7530 15.7530 15.8631 15.8631 19.1763 19.1763 23.1794 23.1794 23.5371 23.5371 23.6028 23.6028 24.0686 24.0686 k = 0.0000 0.0000 0.1910 ( 1282 PWs) bands (ev): 4.4857 4.4857 8.0588 8.0588 10.4830 10.4830 10.8851 10.8851 12.0311 12.0311 12.4262 12.4262 13.4324 13.4324 13.4782 13.4782 14.1340 14.1340 14.9279 14.9279 15.8151 15.8151 15.9335 15.9335 19.3298 19.3298 23.0756 23.0756 23.5028 23.5028 23.5369 23.5369 23.9881 23.9881 k = 0.0000 0.0000 0.2016 ( 1282 PWs) bands (ev): 4.5410 4.5410 7.9846 7.9846 10.4825 10.4825 10.8777 10.8777 11.9613 11.9613 12.3462 12.3462 13.4637 13.4637 13.4994 13.4994 14.2043 14.2043 14.9260 14.9260 15.8733 15.8733 15.9985 15.9985 19.4860 19.4860 22.9787 22.9787 23.4676 23.4676 23.4678 23.4678 23.9135 23.9135 k = 0.0000 0.0000 0.2122 ( 1282 PWs) bands (ev): 4.5990 4.5990 7.9072 7.9072 10.4832 10.4832 10.8720 10.8720 11.8918 11.8918 12.2680 12.2680 13.4531 13.4531 13.5650 13.5650 14.2776 14.2776 14.9260 14.9260 15.9270 15.9270 16.0574 16.0574 19.6445 19.6445 22.8893 22.8893 23.3966 23.3966 23.4321 23.4321 23.8439 23.8439 k = 0.0000 0.0000 0.2228 ( 1288 PWs) bands (ev): 4.6597 4.6597 7.8268 7.8268 10.4854 10.4854 10.8681 10.8681 11.8230 11.8230 12.1915 12.1915 13.4463 13.4463 13.6284 13.6284 14.3534 14.3534 14.9285 14.9285 15.9759 15.9759 16.1098 16.1098 19.8048 19.8048 22.8078 22.8078 23.3253 23.3253 23.3957 23.3957 23.7783 23.7783 k = 0.0000 0.0000 0.2334 ( 1288 PWs) bands (ev): 4.7229 4.7229 7.7436 7.7436 10.4891 10.4891 10.8662 10.8662 11.7549 11.7549 12.1170 12.1170 13.4432 13.4432 13.6886 13.6886 14.4316 14.4316 14.9344 14.9344 16.0195 16.0195 16.1554 16.1554 19.9663 19.9663 22.7348 22.7348 23.2554 23.2554 23.3582 23.3582 23.7159 23.7159 k = 0.0000 0.0000 0.2440 ( 1288 PWs) bands (ev): 4.7887 4.7887 7.6578 7.6578 10.4943 10.4943 10.8662 10.8662 11.6878 11.6878 12.0443 12.0443 13.4438 13.4438 13.7445 13.7445 14.5116 14.5116 14.9444 14.9444 16.0575 16.0575 16.1937 16.1937 20.1287 20.1287 22.6707 22.6707 23.1881 23.1881 23.3196 23.3196 23.6559 23.6559 k = 0.0000 0.0000 0.2546 ( 1288 PWs) bands (ev): 4.8570 4.8570 7.5697 7.5697 10.5012 10.5012 10.8682 10.8682 11.6219 11.6219 11.9736 11.9736 13.4479 13.4479 13.7953 13.7953 14.5933 14.5933 14.9594 14.9594 16.0895 16.0895 16.2245 16.2245 20.2915 20.2915 22.6159 22.6159 23.1246 23.1246 23.2793 23.2793 23.5975 23.5975 k = 0.0000 0.0000 0.2652 ( 1288 PWs) bands (ev): 4.9276 4.9276 7.4796 7.4796 10.5098 10.5098 10.8723 10.8723 11.5573 11.5573 11.9048 11.9048 13.4555 13.4555 13.8397 13.8397 14.6763 14.6763 14.9803 14.9803 16.1153 16.1153 16.2475 16.2475 20.4540 20.4540 22.5708 22.5708 23.0657 23.0657 23.2370 23.2370 23.5406 23.5406 k = 0.0000 0.0000 0.2758 ( 1288 PWs) bands (ev): 5.0006 5.0006 7.3876 7.3876 10.5202 10.5202 10.8785 10.8785 11.4942 11.4942 11.8381 11.8381 13.4663 13.4663 13.8771 13.8771 14.7602 14.7602 15.0076 15.0076 16.1346 16.1346 16.2625 16.2625 20.6158 20.6158 22.5355 22.5355 23.0123 23.0123 23.1924 23.1924 23.4847 23.4847 k = 0.0000 0.0000 0.2864 ( 1288 PWs) bands (ev): 5.0759 5.0759 7.2940 7.2940 10.5324 10.5324 10.8869 10.8869 11.4325 11.4325 11.7733 11.7733 13.4802 13.4802 13.9067 13.9067 14.8449 14.8449 15.0420 15.0420 16.1473 16.1473 16.2694 16.2694 20.7761 20.7761 22.5105 22.5105 22.9647 22.9647 23.1449 23.1449 23.4297 23.4297 k = 0.0000 0.0000 0.2971 ( 1288 PWs) bands (ev): 5.1534 5.1534 7.1990 7.1990 10.5466 10.5466 10.8976 10.8976 11.3725 11.3725 11.7107 11.7107 13.4968 13.4968 13.9284 13.9284 14.9298 14.9298 15.0834 15.0834 16.1531 16.1531 16.2682 16.2682 20.9344 20.9344 22.4957 22.4957 22.9235 22.9235 23.0942 23.0942 23.3756 23.3756 k = 0.0000 0.0000 0.3077 ( 1294 PWs) bands (ev): 5.2329 5.2329 7.1028 7.1028 10.5626 10.5626 10.9104 10.9104 11.3141 11.3141 11.6501 11.6501 13.5161 13.5161 13.9422 13.9422 15.0148 15.0148 15.1316 15.1316 16.1520 16.1520 16.2591 16.2591 21.0898 21.0898 22.4914 22.4914 22.8889 22.8889 23.0401 23.0401 23.3225 23.3225 k = 0.0000 0.0000 0.3183 ( 1288 PWs) bands (ev): 5.3146 5.3146 7.0058 7.0058 10.5806 10.5806 10.9255 10.9255 11.2575 11.2575 11.5917 11.5917 13.5377 13.5377 13.9486 13.9486 15.0995 15.0995 15.1861 15.1861 16.1440 16.1440 16.2421 16.2421 21.2415 21.2415 22.4976 22.4976 22.8609 22.8609 22.9825 22.9825 23.2705 23.2705 k = 0.0000 0.0000 0.3289 ( 1282 PWs) bands (ev): 5.3981 5.3981 6.9081 6.9081 10.6007 10.6007 10.9429 10.9429 11.2028 11.2028 11.5354 11.5354 13.5614 13.5614 13.9481 13.9481 15.1836 15.1836 15.2460 15.2460 16.1291 16.1291 16.2176 16.2176 21.3885 21.3885 22.5142 22.5142 22.8397 22.8397 22.9213 22.9213 23.2199 23.2199 k = 0.0000 0.0000 0.3395 ( 1282 PWs) bands (ev): 5.4836 5.4836 6.8098 6.8098 10.6227 10.6227 10.9626 10.9626 11.1499 11.1499 11.4813 11.4813 13.5868 13.5868 13.9415 13.9415 15.2667 15.2667 15.3104 15.3104 16.1075 16.1075 16.1859 16.1859 21.5301 21.5301 22.5410 22.5410 22.8252 22.8252 22.8569 22.8569 23.1706 23.1706 k = 0.0000 0.0000 0.3501 ( 1282 PWs) bands (ev): 5.5708 5.5708 6.7113 6.7113 10.6469 10.6469 10.9846 10.9846 11.0989 11.0989 11.4294 11.4294 13.6138 13.6138 13.9298 13.9298 15.3484 15.3484 15.3782 15.3782 16.0793 16.0793 16.1475 16.1475 21.6651 21.6651 22.5779 22.5779 22.7892 22.7892 22.8173 22.8173 23.1231 23.1231 k = 0.0000 0.0000 0.3607 ( 1282 PWs) bands (ev): 5.6596 5.6596 6.6128 6.6128 10.6730 10.6730 11.0089 11.0089 11.0499 11.0499 11.3797 11.3797 13.6420 13.6420 13.9136 13.9136 15.4284 15.4284 15.4485 15.4485 16.0448 16.0448 16.1028 16.1028 21.7929 21.7929 22.6243 22.6243 22.7186 22.7186 22.8158 22.8158 23.0776 23.0776 k = 0.0000 0.0000 0.3713 ( 1282 PWs) bands (ev): 5.7501 5.7501 6.5143 6.5143 10.7013 10.7013 11.0029 11.0029 11.0356 11.0356 11.3323 11.3323 13.6711 13.6711 13.8937 13.8937 15.5063 15.5063 15.5204 15.5204 16.0043 16.0043 16.0524 16.0524 21.9130 21.9130 22.6451 22.6451 22.6792 22.6792 22.8203 22.8203 23.0345 23.0345 k = 0.0000 0.0000 0.3819 ( 1282 PWs) bands (ev): 5.8419 5.8419 6.4161 6.4161 10.7317 10.7317 10.9579 10.9579 11.0645 11.0645 11.2871 11.2871 13.7008 13.7008 13.8709 13.8709 15.5816 15.5816 15.5929 15.5929 15.9580 15.9580 15.9969 15.9969 22.0252 22.0252 22.5688 22.5688 22.7414 22.7414 22.8307 22.8307 22.9942 22.9942 k = 0.0000 0.0000 0.3925 ( 1282 PWs) bands (ev): 5.9351 5.9351 6.3184 6.3184 10.7641 10.7641 10.9150 10.9150 11.0958 11.0958 11.2443 11.2443 13.7308 13.7308 13.8456 13.8456 15.6541 15.6541 15.6652 15.6652 15.9064 15.9064 15.9369 15.9369 22.1298 22.1298 22.4894 22.4894 22.8091 22.8091 22.8466 22.8466 22.9569 22.9569 k = 0.0000 0.0000 0.4031 ( 1282 PWs) bands (ev): 6.0294 6.0294 6.2212 6.2212 10.7987 10.7987 10.8742 10.8742 11.1295 11.1295 11.2037 11.2037 13.7607 13.7607 13.8185 13.8185 15.7232 15.7232 15.7365 15.7365 15.8498 15.8498 15.8730 15.8730 22.2276 22.2276 22.4065 22.4065 22.8675 22.8675 22.8801 22.8801 22.9231 22.9231 k = 0.0000 0.0000 0.4138 ( 1288 PWs) bands (ev): 6.1249 6.1249 6.1249 6.1249 10.8354 10.8354 10.8354 10.8354 11.1654 11.1654 11.1654 11.1654 13.7900 13.7900 13.7900 13.7900 15.7886 15.7886 15.7886 15.7886 15.8060 15.8060 15.8060 15.8060 22.3195 22.3195 22.3195 22.3195 22.8931 22.8931 22.8931 22.8931 22.9523 22.9523 k = 0.0000 0.0000 0.4138 ( 1288 PWs) bands (ev): 6.1249 6.1249 6.1249 6.1249 10.8354 10.8354 10.8354 10.8354 11.1654 11.1654 11.1654 11.1654 13.7900 13.7900 13.7900 13.7900 15.7886 15.7886 15.7886 15.7886 15.8060 15.8060 15.8060 15.8060 22.3195 22.3195 22.3195 22.3195 22.8931 22.8931 22.8931 22.8931 22.9523 22.9523 k = 0.0091 0.0052 0.4138 ( 1282 PWs) bands (ev): 6.1260 6.1260 6.1260 6.1260 10.8358 10.8358 10.8358 10.8358 11.1658 11.1658 11.1658 11.1658 13.7888 13.7888 13.7888 13.7888 15.7821 15.7821 15.7821 15.7821 15.8114 15.8114 15.8114 15.8114 22.3207 22.3207 22.3207 22.3207 22.8869 22.8869 22.8869 22.8869 22.9583 22.9583 k = 0.0182 0.0105 0.4138 ( 1282 PWs) bands (ev): 6.1293 6.1293 6.1293 6.1293 10.8370 10.8370 10.8370 10.8370 11.1671 11.1671 11.1671 11.1671 13.7851 13.7851 13.7851 13.7851 15.7700 15.7700 15.7700 15.7700 15.8203 15.8203 15.8203 15.8203 22.3240 22.3240 22.3240 22.3240 22.8722 22.8722 22.8722 22.8722 22.9721 22.9721 k = 0.0273 0.0157 0.4138 ( 1282 PWs) bands (ev): 6.1349 6.1349 6.1349 6.1349 10.8390 10.8390 10.8390 10.8390 11.1692 11.1692 11.1692 11.1692 13.7790 13.7790 13.7790 13.7790 15.7560 15.7560 15.7560 15.7560 15.8289 15.8289 15.8289 15.8289 22.3289 22.3289 22.3289 22.3289 22.8541 22.8541 22.8541 22.8541 22.9893 22.9893 k = 0.0364 0.0210 0.4138 ( 1282 PWs) bands (ev): 6.1426 6.1426 6.1426 6.1426 10.8418 10.8418 10.8418 10.8418 11.1722 11.1722 11.1722 11.1722 13.7704 13.7704 13.7704 13.7704 15.7408 15.7408 15.7408 15.7408 15.8367 15.8367 15.8367 15.8367 22.3345 22.3345 22.3345 22.3345 22.8345 22.8345 22.8345 22.8345 23.0087 23.0087 k = 0.0455 0.0262 0.4138 ( 1286 PWs) bands (ev): 6.1525 6.1525 6.1525 6.1525 10.8452 10.8452 10.8452 10.8452 11.1762 11.1762 11.1762 11.1762 13.7594 13.7594 13.7594 13.7594 15.7246 15.7246 15.7246 15.7246 15.8436 15.8436 15.8436 15.8436 22.3393 22.3393 22.3393 22.3393 22.8150 22.8150 22.8150 22.8150 23.0301 23.0301 k = 0.0545 0.0315 0.4138 ( 1286 PWs) bands (ev): 6.1645 6.1645 6.1645 6.1645 10.8494 10.8494 10.8494 10.8494 11.1812 11.1812 11.1812 11.1812 13.7461 13.7461 13.7461 13.7461 15.7073 15.7073 15.7073 15.7073 15.8496 15.8496 15.8496 15.8496 22.3416 22.3416 22.3416 22.3416 22.7967 22.7967 22.7967 22.7967 23.0539 23.0539 k = 0.0636 0.0367 0.4138 ( 1286 PWs) bands (ev): 6.1787 6.1787 6.1787 6.1787 10.8541 10.8541 10.8541 10.8541 11.1874 11.1874 11.1874 11.1874 13.7303 13.7303 13.7303 13.7303 15.6893 15.6893 15.6893 15.6893 15.8548 15.8548 15.8548 15.8548 22.3391 22.3391 22.3391 22.3391 22.7813 22.7813 22.7813 22.7813 23.0804 23.0804 k = 0.0727 0.0420 0.4138 ( 1282 PWs) bands (ev): 6.1949 6.1949 6.1949 6.1949 10.8595 10.8595 10.8595 10.8595 11.1947 11.1947 11.1947 11.1947 13.7122 13.7122 13.7122 13.7122 15.6703 15.6703 15.6703 15.6703 15.8592 15.8592 15.8592 15.8592 22.3295 22.3295 22.3295 22.3295 22.7703 22.7703 22.7703 22.7703 23.1104 23.1104 k = 0.0818 0.0472 0.4138 ( 1282 PWs) bands (ev): 6.2131 6.2131 6.2131 6.2131 10.8653 10.8653 10.8653 10.8653 11.2034 11.2034 11.2034 11.2034 13.6919 13.6919 13.6919 13.6919 15.6507 15.6507 15.6507 15.6507 15.8629 15.8629 15.8629 15.8629 22.3107 22.3107 22.3107 22.3107 22.7647 22.7647 22.7647 22.7647 23.1442 23.1442 k = 0.0909 0.0525 0.4138 ( 1282 PWs) bands (ev): 6.2333 6.2333 6.2333 6.2333 10.8716 10.8716 10.8716 10.8716 11.2135 11.2135 11.2135 11.2135 13.6693 13.6693 13.6693 13.6693 15.6303 15.6303 15.6303 15.6303 15.8660 15.8660 15.8660 15.8660 22.2817 22.2817 22.2817 22.2817 22.7647 22.7647 22.7647 22.7647 23.1825 23.1825 k = 0.1000 0.0577 0.4138 ( 1282 PWs) bands (ev): 6.2553 6.2553 6.2553 6.2553 10.8783 10.8783 10.8783 10.8783 11.2250 11.2250 11.2250 11.2250 13.6446 13.6446 13.6446 13.6446 15.6094 15.6094 15.6094 15.6094 15.8685 15.8685 15.8685 15.8685 22.2425 22.2425 22.2425 22.2425 22.7696 22.7696 22.7696 22.7696 23.2256 23.2256 k = 0.1091 0.0630 0.4138 ( 1278 PWs) bands (ev): 6.2792 6.2792 6.2792 6.2792 10.8855 10.8855 10.8855 10.8855 11.2381 11.2381 11.2381 11.2381 13.6179 13.6179 13.6179 13.6179 15.5878 15.5878 15.5878 15.5878 15.8707 15.8707 15.8707 15.8707 22.1938 22.1938 22.1938 22.1938 22.7780 22.7780 22.7780 22.7780 23.2737 23.2737 k = 0.1182 0.0682 0.4138 ( 1278 PWs) bands (ev): 6.3049 6.3049 6.3049 6.3049 10.8930 10.8930 10.8930 10.8930 11.2527 11.2527 11.2527 11.2527 13.5892 13.5892 13.5892 13.5892 15.5656 15.5656 15.5656 15.5656 15.8724 15.8724 15.8724 15.8724 22.1365 22.1365 22.1365 22.1365 22.7885 22.7885 22.7885 22.7885 23.3268 23.3268 k = 0.1273 0.0735 0.4138 ( 1282 PWs) bands (ev): 6.3322 6.3322 6.3322 6.3322 10.9009 10.9009 10.9009 10.9009 11.2690 11.2690 11.2690 11.2690 13.5587 13.5587 13.5587 13.5587 15.5429 15.5429 15.5429 15.5429 15.8739 15.8739 15.8739 15.8739 22.0717 22.0717 22.0717 22.0717 22.7999 22.7999 22.7999 22.7999 23.3847 23.3847 k = 0.1364 0.0787 0.4138 ( 1282 PWs) bands (ev): 6.3611 6.3611 6.3611 6.3611 10.9093 10.9093 10.9093 10.9093 11.2870 11.2870 11.2870 11.2870 13.5266 13.5266 13.5266 13.5266 15.5197 15.5197 15.5197 15.5197 15.8751 15.8751 15.8751 15.8751 22.0000 22.0000 22.0000 22.0000 22.8112 22.8112 22.8112 22.8112 23.4470 23.4470 k = 0.1455 0.0840 0.4138 ( 1290 PWs) bands (ev): 6.3915 6.3915 6.3915 6.3915 10.9181 10.9181 10.9181 10.9181 11.3065 11.3065 11.3065 11.3065 13.4929 13.4929 13.4929 13.4929 15.4961 15.4961 15.4961 15.4961 15.8762 15.8762 15.8762 15.8762 21.9221 21.9221 21.9221 21.9221 22.8219 22.8219 22.8219 22.8219 23.5132 23.5132 k = 0.1545 0.0892 0.4138 ( 1290 PWs) bands (ev): 6.4232 6.4232 6.4232 6.4232 10.9276 10.9276 10.9276 10.9276 11.3277 11.3277 11.3277 11.3277 13.4579 13.4579 13.4579 13.4579 15.4720 15.4720 15.4720 15.4720 15.8771 15.8771 15.8771 15.8771 21.8387 21.8387 21.8387 21.8387 22.8315 22.8315 22.8315 22.8315 23.5828 23.5828 k = 0.1636 0.0945 0.4138 ( 1280 PWs) bands (ev): 6.4563 6.4563 6.4563 6.4563 10.9377 10.9377 10.9377 10.9377 11.3505 11.3505 11.3505 11.3505 13.4217 13.4217 13.4217 13.4217 15.4474 15.4474 15.4474 15.4474 15.8779 15.8779 15.8779 15.8779 21.7500 21.7500 21.7500 21.7500 22.8397 22.8397 22.8397 22.8397 23.6551 23.6551 k = 0.1727 0.0997 0.4138 ( 1274 PWs) bands (ev): 6.4905 6.4905 6.4905 6.4905 10.9485 10.9485 10.9485 10.9485 11.3748 11.3748 11.3748 11.3748 13.3845 13.3845 13.3845 13.3845 15.4225 15.4225 15.4225 15.4225 15.8786 15.8786 15.8786 15.8786 21.6565 21.6565 21.6565 21.6565 22.8464 22.8464 22.8464 22.8464 23.7294 23.7294 k = 0.1818 0.1050 0.4138 ( 1274 PWs) bands (ev): 6.5257 6.5257 6.5257 6.5257 10.9602 10.9602 10.9602 10.9602 11.4004 11.4004 11.4004 11.4004 13.3465 13.3465 13.3465 13.3465 15.3971 15.3971 15.3971 15.3971 15.8791 15.8791 15.8791 15.8791 21.5585 21.5585 21.5585 21.5585 22.8515 22.8515 22.8515 22.8515 23.8050 23.8050 k = 0.1909 0.1102 0.4138 ( 1274 PWs) bands (ev): 6.5618 6.5618 6.5618 6.5618 10.9729 10.9729 10.9729 10.9729 11.4275 11.4275 11.4275 11.4275 13.3079 13.3079 13.3079 13.3079 15.3714 15.3714 15.3714 15.3714 15.8795 15.8795 15.8795 15.8795 21.4562 21.4562 21.4562 21.4562 22.8550 22.8550 22.8550 22.8550 23.8816 23.8816 k = 0.2000 0.1155 0.4138 ( 1278 PWs) bands (ev): 6.5987 6.5987 6.5987 6.5987 10.9867 10.9867 10.9867 10.9867 11.4558 11.4558 11.4558 11.4558 13.2688 13.2688 13.2688 13.2688 15.3454 15.3454 15.3454 15.3454 15.8797 15.8797 15.8797 15.8797 21.3501 21.3501 21.3501 21.3501 22.8568 22.8568 22.8568 22.8568 23.9583 23.9583 k = 0.2091 0.1207 0.4138 ( 1274 PWs) bands (ev): 6.6362 6.6362 6.6362 6.6362 11.0016 11.0016 11.0016 11.0016 11.4852 11.4852 11.4852 11.4852 13.2295 13.2295 13.2295 13.2295 15.3191 15.3191 15.3191 15.3191 15.8797 15.8797 15.8797 15.8797 21.2404 21.2404 21.2404 21.2404 22.8568 22.8568 22.8568 22.8568 24.0349 24.0349 k = 0.2182 0.1260 0.4138 ( 1278 PWs) bands (ev): 6.6742 6.6742 6.6742 6.6742 11.0179 11.0179 11.0179 11.0179 11.5157 11.5157 11.5157 11.5157 13.1902 13.1902 13.1902 13.1902 15.2925 15.2925 15.2925 15.2925 15.8794 15.8794 15.8794 15.8794 21.1273 21.1273 21.1273 21.1273 22.8552 22.8552 22.8552 22.8552 24.1109 24.1109 k = 0.2273 0.1312 0.4138 ( 1278 PWs) bands (ev): 6.7125 6.7125 6.7125 6.7125 11.0355 11.0355 11.0355 11.0355 11.5472 11.5472 11.5472 11.5472 13.1511 13.1511 13.1511 13.1511 15.2657 15.2657 15.2657 15.2657 15.8787 15.8787 15.8787 15.8787 21.0113 21.0113 21.0113 21.0113 22.8519 22.8519 22.8519 22.8519 24.1859 24.1859 k = 0.2364 0.1365 0.4138 ( 1278 PWs) bands (ev): 6.7510 6.7510 6.7510 6.7510 11.0546 11.0546 11.0546 11.0546 11.5794 11.5794 11.5794 11.5794 13.1124 13.1124 13.1124 13.1124 15.2388 15.2388 15.2388 15.2388 15.8776 15.8776 15.8776 15.8776 20.8928 20.8928 20.8928 20.8928 22.8469 22.8469 22.8469 22.8469 24.2596 24.2596 k = 0.2455 0.1417 0.4138 ( 1274 PWs) bands (ev): 6.7896 6.7896 6.7896 6.7896 11.0752 11.0752 11.0752 11.0752 11.6123 11.6123 11.6123 11.6123 13.0742 13.0742 13.0742 13.0742 15.2117 15.2117 15.2117 15.2117 15.8759 15.8759 15.8759 15.8759 20.7720 20.7720 20.7720 20.7720 22.8403 22.8403 22.8403 22.8403 24.3320 24.3320 k = 0.2545 0.1470 0.4138 ( 1274 PWs) bands (ev): 6.8281 6.8281 6.8281 6.8281 11.0974 11.0974 11.0974 11.0974 11.6458 11.6458 11.6458 11.6458 13.0369 13.0369 13.0369 13.0369 15.1845 15.1845 15.1845 15.1845 15.8736 15.8736 15.8736 15.8736 20.6493 20.6493 20.6493 20.6493 22.8321 22.8321 22.8321 22.8321 24.4027 24.4027 k = 0.2636 0.1522 0.4138 ( 1276 PWs) bands (ev): 6.8663 6.8663 6.8663 6.8663 11.1211 11.1211 11.1211 11.1211 11.6797 11.6797 11.6797 11.6797 13.0005 13.0005 13.0005 13.0005 15.1573 15.1573 15.1573 15.1573 15.8706 15.8706 15.8706 15.8706 20.5252 20.5252 20.5252 20.5252 22.8224 22.8224 22.8224 22.8224 24.4718 24.4718 k = 0.2727 0.1575 0.4138 ( 1280 PWs) bands (ev): 6.9041 6.9041 6.9041 6.9041 11.1465 11.1465 11.1465 11.1465 11.7139 11.7139 11.7139 11.7139 12.9654 12.9654 12.9654 12.9654 15.1301 15.1301 15.1301 15.1301 15.8668 15.8668 15.8668 15.8668 20.4001 20.4001 20.4001 20.4001 22.8113 22.8113 22.8113 22.8113 24.5391 24.5391 k = 0.2818 0.1627 0.4138 ( 1282 PWs) bands (ev): 6.9414 6.9414 6.9414 6.9414 11.1735 11.1735 11.1735 11.1735 11.7482 11.7482 11.7482 11.7482 12.9316 12.9316 12.9316 12.9316 15.1029 15.1029 15.1029 15.1029 15.8621 15.8621 15.8621 15.8621 20.2745 20.2745 20.2745 20.2745 22.7988 22.7988 22.7988 22.7988 24.6048 24.6048 k = 0.2909 0.1680 0.4138 ( 1278 PWs) bands (ev): 6.9780 6.9780 6.9780 6.9780 11.2020 11.2020 11.2020 11.2020 11.7825 11.7825 11.7825 11.7825 12.8995 12.8995 12.8995 12.8995 15.0759 15.0759 15.0759 15.0759 15.8564 15.8564 15.8564 15.8564 20.1488 20.1488 20.1488 20.1488 22.7851 22.7851 22.7851 22.7851 24.6688 24.6688 k = 0.3000 0.1732 0.4138 ( 1278 PWs) bands (ev): 7.0138 7.0138 7.0138 7.0138 11.2319 11.2319 11.2319 11.2319 11.8167 11.8167 11.8167 11.8167 12.8692 12.8692 12.8692 12.8692 15.0491 15.0491 15.0491 15.0491 15.8495 15.8495 15.8495 15.8495 20.0236 20.0236 20.0236 20.0236 22.7702 22.7702 22.7702 22.7702 24.7312 24.7312 k = 0.3091 0.1785 0.4138 ( 1270 PWs) bands (ev): 7.0486 7.0486 7.0486 7.0486 11.2631 11.2631 11.2631 11.2631 11.8507 11.8507 11.8507 11.8507 12.8408 12.8408 12.8408 12.8408 15.0225 15.0225 15.0225 15.0225 15.8415 15.8415 15.8415 15.8415 19.8992 19.8992 19.8992 19.8992 22.7544 22.7544 22.7544 22.7544 24.7920 24.7920 k = 0.3182 0.1837 0.4138 ( 1266 PWs) bands (ev): 7.0824 7.0824 7.0824 7.0824 11.2954 11.2954 11.2954 11.2954 11.8843 11.8843 11.8843 11.8843 12.8147 12.8147 12.8147 12.8147 14.9962 14.9962 14.9962 14.9962 15.8323 15.8323 15.8323 15.8323 19.7764 19.7764 19.7764 19.7764 22.7377 22.7377 22.7377 22.7377 24.8514 24.8514 k = 0.3273 0.1890 0.4138 ( 1266 PWs) bands (ev): 7.1150 7.1150 7.1150 7.1150 11.3285 11.3285 11.3285 11.3285 11.9174 11.9174 11.9174 11.9174 12.7910 12.7910 12.7910 12.7910 14.9703 14.9703 14.9703 14.9703 15.8217 15.8217 15.8217 15.8217 19.6555 19.6555 19.6555 19.6555 22.7204 22.7204 22.7204 22.7204 24.9092 24.9092 k = 0.3364 0.1942 0.4138 ( 1266 PWs) bands (ev): 7.1463 7.1463 7.1463 7.1463 11.3623 11.3623 11.3623 11.3623 11.9499 11.9499 11.9499 11.9499 12.7699 12.7699 12.7699 12.7699 14.9448 14.9448 14.9448 14.9448 15.8097 15.8097 15.8097 15.8097 19.5371 19.5371 19.5371 19.5371 22.7025 22.7025 22.7025 22.7025 24.9657 24.9657 k = 0.3455 0.1994 0.4138 ( 1266 PWs) bands (ev): 7.1762 7.1762 7.1762 7.1762 11.3962 11.3962 11.3962 11.3962 11.9817 11.9817 11.9817 11.9817 12.7514 12.7514 12.7514 12.7514 14.9198 14.9198 14.9198 14.9198 15.7963 15.7963 15.7963 15.7963 19.4218 19.4218 19.4218 19.4218 22.6842 22.6842 22.6842 22.6842 25.0206 25.0206 k = 0.3545 0.2047 0.4138 ( 1264 PWs) bands (ev): 7.2048 7.2048 7.2048 7.2048 11.4301 11.4301 11.4301 11.4301 12.0127 12.0127 12.0127 12.0127 12.7358 12.7358 12.7358 12.7358 14.8953 14.8953 14.8953 14.8953 15.7815 15.7815 15.7815 15.7815 19.3101 19.3101 19.3101 19.3101 22.6658 22.6658 22.6658 22.6658 25.0741 25.0741 k = 0.3636 0.2099 0.4138 ( 1264 PWs) bands (ev): 7.2317 7.2317 7.2317 7.2317 11.4635 11.4635 11.4635 11.4635 12.0430 12.0430 12.0430 12.0430 12.7231 12.7231 12.7231 12.7231 14.8715 14.8715 14.8715 14.8715 15.7654 15.7654 15.7654 15.7654 19.2025 19.2025 19.2025 19.2025 22.6473 22.6473 22.6473 22.6473 25.1261 25.1261 k = 0.3727 0.2152 0.4138 ( 1266 PWs) bands (ev): 7.2571 7.2571 7.2571 7.2571 11.4959 11.4959 11.4959 11.4959 12.0725 12.0725 12.0725 12.0725 12.7133 12.7133 12.7133 12.7133 14.8485 14.8485 14.8485 14.8485 15.7479 15.7479 15.7479 15.7479 19.0995 19.0995 19.0995 19.0995 22.6290 22.6290 22.6290 22.6290 25.1764 25.1764 k = 0.3818 0.2204 0.4138 ( 1266 PWs) bands (ev): 7.2809 7.2809 7.2809 7.2809 11.5269 11.5269 11.5269 11.5269 12.1013 12.1013 12.1013 12.1013 12.7064 12.7064 12.7064 12.7064 14.8262 14.8262 14.8262 14.8262 15.7293 15.7293 15.7293 15.7293 19.0017 19.0017 19.0017 19.0017 22.6110 22.6110 22.6110 22.6110 25.2249 25.2249 k = 0.3909 0.2257 0.4138 ( 1266 PWs) bands (ev): 7.3030 7.3030 7.3030 7.3030 11.5561 11.5561 11.5561 11.5561 12.1293 12.1293 12.1293 12.1293 12.7022 12.7022 12.7022 12.7022 14.8049 14.8049 14.8049 14.8049 15.7097 15.7097 15.7097 15.7097 18.9094 18.9094 18.9094 18.9094 22.5936 22.5936 22.5936 22.5936 25.2715 25.2715 k = 0.4000 0.2309 0.4138 ( 1274 PWs) bands (ev): 7.3234 7.3234 7.3234 7.3234 11.5832 11.5832 11.5832 11.5832 12.1565 12.1565 12.1565 12.1565 12.7005 12.7005 12.7005 12.7005 14.7845 14.7845 14.7845 14.7845 15.6894 15.6894 15.6894 15.6894 18.8232 18.8232 18.8232 18.8232 22.5768 22.5768 22.5768 22.5768 25.3159 25.3159 k = 0.4091 0.2362 0.4138 ( 1270 PWs) bands (ev): 7.3420 7.3420 7.3420 7.3420 11.6078 11.6078 11.6078 11.6078 12.1829 12.1829 12.1829 12.1829 12.7012 12.7012 12.7012 12.7012 14.7653 14.7653 14.7653 14.7653 15.6686 15.6686 15.6686 15.6686 18.7434 18.7434 18.7434 18.7434 22.5609 22.5609 22.5609 22.5609 25.3579 25.3579 k = 0.4182 0.2414 0.4138 ( 1270 PWs) bands (ev): 7.3589 7.3589 7.3589 7.3589 11.6297 11.6297 11.6297 11.6297 12.2083 12.2083 12.2083 12.2083 12.7037 12.7037 12.7037 12.7037 14.7473 14.7473 14.7473 14.7473 15.6477 15.6477 15.6477 15.6477 18.6703 18.6703 18.6703 18.6703 22.5460 22.5460 22.5460 22.5460 25.3973 25.3973 k = 0.4273 0.2467 0.4138 ( 1274 PWs) bands (ev): 7.3740 7.3740 7.3740 7.3740 11.6488 11.6488 11.6488 11.6488 12.2325 12.2325 12.2325 12.2325 12.7078 12.7078 12.7078 12.7078 14.7306 14.7306 14.7306 14.7306 15.6271 15.6271 15.6271 15.6271 18.6043 18.6043 18.6043 18.6043 22.5322 22.5322 22.5322 22.5322 25.4337 25.4337 k = 0.4364 0.2519 0.4138 ( 1270 PWs) bands (ev): 7.3874 7.3874 7.3874 7.3874 11.6651 11.6651 11.6651 11.6651 12.2551 12.2551 12.2551 12.2551 12.7130 12.7130 12.7130 12.7130 14.7155 14.7155 14.7155 14.7155 15.6073 15.6073 15.6073 15.6073 18.5456 18.5456 18.5456 18.5456 22.5197 22.5197 22.5197 22.5197 25.4669 25.4669 k = 0.4455 0.2572 0.4138 ( 1270 PWs) bands (ev): 7.3990 7.3990 7.3990 7.3990 11.6788 11.6788 11.6788 11.6788 12.2759 12.2759 12.2759 12.2759 12.7189 12.7189 12.7189 12.7189 14.7019 14.7019 14.7019 14.7019 15.5887 15.5887 15.5887 15.5887 18.4944 18.4944 18.4944 18.4944 22.5086 22.5086 22.5086 22.5086 25.4965 25.4965 k = 0.4545 0.2624 0.4138 ( 1268 PWs) bands (ev): 7.4088 7.4088 7.4088 7.4088 11.6899 11.6899 11.6899 11.6899 12.2944 12.2944 12.2944 12.2944 12.7248 12.7248 12.7248 12.7248 14.6901 14.6901 14.6901 14.6901 15.5719 15.5719 15.5719 15.5719 18.4509 18.4509 18.4509 18.4509 22.4991 22.4991 22.4991 22.4991 25.5222 25.5222 k = 0.4636 0.2677 0.4138 ( 1264 PWs) bands (ev): 7.4168 7.4168 7.4168 7.4168 11.6987 11.6987 11.6987 11.6987 12.3102 12.3102 12.3102 12.3102 12.7305 12.7305 12.7305 12.7305 14.6802 14.6802 14.6802 14.6802 15.5574 15.5574 15.5574 15.5574 18.4152 18.4152 18.4152 18.4152 22.4911 22.4911 22.4911 22.4911 25.5437 25.5437 k = 0.4727 0.2729 0.4138 ( 1260 PWs) bands (ev): 7.4230 7.4230 7.4230 7.4230 11.7053 11.7053 11.7053 11.7053 12.3230 12.3230 12.3230 12.3230 12.7354 12.7354 12.7354 12.7354 14.6723 14.6723 14.6723 14.6723 15.5455 15.5455 15.5455 15.5455 18.3873 18.3873 18.3873 18.3873 22.4848 22.4848 22.4848 22.4848 25.5608 25.5608 k = 0.4818 0.2782 0.4138 ( 1260 PWs) bands (ev): 7.4275 7.4275 7.4275 7.4275 11.7098 11.7098 11.7098 11.7098 12.3323 12.3323 12.3323 12.3323 12.7392 12.7392 12.7392 12.7392 14.6666 14.6666 14.6666 14.6666 15.5367 15.5367 15.5367 15.5367 18.3674 18.3674 18.3674 18.3674 22.4803 22.4803 22.4803 22.4803 25.5731 25.5731 k = 0.4909 0.2834 0.4138 ( 1260 PWs) bands (ev): 7.4301 7.4301 7.4301 7.4301 11.7125 11.7125 11.7125 11.7125 12.3380 12.3380 12.3380 12.3380 12.7416 12.7416 12.7416 12.7416 14.6632 14.6632 14.6632 14.6632 15.5314 15.5314 15.5314 15.5314 18.3554 18.3554 18.3554 18.3554 22.4776 22.4776 22.4776 22.4776 25.5806 25.5806 k = 0.5000 0.2887 0.4138 ( 1256 PWs) bands (ev): 7.4310 7.4310 7.4310 7.4310 11.7134 11.7134 11.7134 11.7134 12.3399 12.3399 12.3399 12.3399 12.7425 12.7425 12.7425 12.7425 14.6620 14.6620 14.6620 14.6620 15.5296 15.5296 15.5296 15.5296 18.3514 18.3514 18.3514 18.3514 22.4767 22.4767 22.4767 22.4767 25.5831 25.5831 k = 0.5000 0.2887 0.4138 ( 1256 PWs) bands (ev): 7.4310 7.4310 7.4310 7.4310 11.7134 11.7134 11.7134 11.7134 12.3399 12.3399 12.3399 12.3399 12.7425 12.7425 12.7425 12.7425 14.6620 14.6620 14.6620 14.6620 15.5296 15.5296 15.5296 15.5296 18.3514 18.3514 18.3514 18.3514 22.4767 22.4767 22.4767 22.4767 25.5831 25.5831 k = 0.4948 0.2977 0.4138 ( 1260 PWs) bands (ev): 7.4294 7.4294 7.4349 7.4349 11.6667 11.6667 11.7436 11.7436 12.3183 12.3183 12.3698 12.3698 12.7254 12.7254 12.7684 12.7684 14.6584 14.6584 14.6661 14.6661 15.5239 15.5239 15.5336 15.5336 18.3484 18.3484 18.3579 18.3579 22.4608 22.4608 22.4773 22.4773 25.5780 25.5780 k = 0.4896 0.3067 0.4138 ( 1260 PWs) bands (ev): 7.4301 7.4301 7.4410 7.4410 11.6089 11.6089 11.7521 11.7521 12.3114 12.3114 12.4018 12.4018 12.7161 12.7161 12.8040 12.8040 14.6553 14.6553 14.6706 14.6706 15.5165 15.5165 15.5359 15.5359 18.3488 18.3488 18.3678 18.3678 22.4302 22.4302 22.4628 22.4628 25.5755 25.5755 k = 0.4844 0.3157 0.4138 ( 1260 PWs) bands (ev): 7.4330 7.4330 7.4493 7.4493 11.5437 11.5437 11.7368 11.7368 12.3222 12.3222 12.4319 12.4319 12.7135 12.7135 12.8494 12.8494 14.6529 14.6529 14.6757 14.6757 15.5075 15.5075 15.5366 15.5366 18.3526 18.3526 18.3812 18.3812 22.3855 22.3855 22.4334 22.4334 25.5757 25.5758 k = 0.4792 0.3248 0.4138 ( 1264 PWs) bands (ev): 7.4380 7.4380 7.4598 7.4598 11.4739 11.4739 11.7004 11.7004 12.3485 12.3485 12.4583 12.4583 12.7169 12.7169 12.9035 12.9035 14.6514 14.6514 14.6814 14.6814 15.4968 15.4968 15.5357 15.5357 18.3596 18.3596 18.3978 18.3978 22.3276 22.3276 22.3896 22.3896 25.5784 25.5784 k = 0.4740 0.3338 0.4138 ( 1260 PWs) bands (ev): 7.4453 7.4453 7.4725 7.4725 11.4011 11.4011 11.6484 11.6484 12.3850 12.3850 12.4810 12.4810 12.7261 12.7261 12.9643 12.9643 14.6512 14.6512 14.6879 14.6879 15.4846 15.4846 15.5333 15.5333 18.3697 18.3697 18.4177 18.4177 22.2576 22.2576 22.3323 22.3323 25.5834 25.5834 k = 0.4688 0.3428 0.4138 ( 1268 PWs) bands (ev): 7.4547 7.4547 7.4873 7.4873 11.3266 11.3266 11.5860 11.5860 12.4264 12.4264 12.5005 12.5005 12.7410 12.7410 13.0299 13.0299 14.6526 14.6526 14.6954 14.6954 15.4707 15.4707 15.5294 15.5294 18.3826 18.3826 18.4407 18.4407 22.1768 22.1768 22.2624 22.2624 25.5904 25.5904 k = 0.4635 0.3518 0.4138 ( 1272 PWs) bands (ev): 7.4662 7.4662 7.5041 7.5041 11.2512 11.2512 11.5171 11.5171 12.4685 12.4685 12.5178 12.5178 12.7617 12.7617 13.0981 13.0981 14.6560 14.6560 14.7043 14.7043 15.4554 15.4554 15.5241 15.5241 18.3982 18.3982 18.4666 18.4666 22.0865 22.0865 22.1812 22.1812 25.5992 25.5993 k = 0.4583 0.3608 0.4138 ( 1272 PWs) bands (ev): 7.4796 7.4796 7.5229 7.5229 11.1754 11.1754 11.4442 11.4442 12.5085 12.5085 12.5335 12.5335 12.7881 12.7881 13.1671 13.1671 14.6619 14.6619 14.7147 14.7147 15.4388 15.4388 15.5175 15.5175 18.4163 18.4163 18.4952 18.4952 21.9879 21.9879 22.0898 22.0898 25.6097 25.6097 k = 0.4531 0.3699 0.4138 ( 1272 PWs) bands (ev): 7.4950 7.4950 7.5436 7.5436 11.0998 11.0998 11.3691 11.3691 12.5450 12.5450 12.5483 12.5483 12.8196 12.8196 13.2355 13.2355 14.6710 14.6710 14.7269 14.7269 15.4208 15.4208 15.5097 15.5097 18.4363 18.4363 18.5263 18.5263 21.8824 21.8824 21.9895 21.9895 25.6215 25.6215 k = 0.4479 0.3789 0.4138 ( 1268 PWs) bands (ev): 7.5121 7.5121 7.5660 7.5660 11.0248 11.0248 11.2929 11.2929 12.5626 12.5626 12.5779 12.5779 12.8549 12.8549 13.3019 13.3019 14.6836 14.6836 14.7413 14.7413 15.4017 15.4017 15.5010 15.5010 18.4582 18.4582 18.5597 18.5597 21.7712 21.7712 21.8813 21.8813 25.6346 25.6346 k = 0.4427 0.3879 0.4138 ( 1268 PWs) bands (ev): 7.5310 7.5310 7.5901 7.5901 10.9507 10.9507 11.2166 11.2166 12.5764 12.5764 12.6074 12.6074 12.8926 12.8926 13.3653 13.3653 14.7002 14.7002 14.7581 14.7581 15.3816 15.3816 15.4916 15.4916 18.4814 18.4814 18.5952 18.5952 21.6555 21.6555 21.7665 21.7665 25.6487 25.6487 k = 0.4375 0.3969 0.4138 ( 1268 PWs) bands (ev): 7.5515 7.5515 7.6157 7.6157 10.8776 10.8776 11.1407 11.1407 12.5902 12.5902 12.6346 12.6346 12.9309 12.9309 13.4248 13.4248 14.7213 14.7213 14.7772 14.7772 15.3609 15.3609 15.4817 15.4817 18.5056 18.5056 18.6325 18.6325 21.5364 21.5364 21.6461 21.6461 25.6638 25.6638 k = 0.4323 0.4059 0.4138 ( 1268 PWs) bands (ev): 7.5733 7.5733 7.6427 7.6427 10.8060 10.8060 11.0657 11.0657 12.6038 12.6038 12.6602 12.6602 12.9682 12.9682 13.4797 13.4797 14.7468 14.7468 14.7987 14.7987 15.3398 15.3398 15.4718 15.4718 18.5304 18.5304 18.6714 18.6714 21.4152 21.4152 21.5212 21.5212 25.6797 25.6797 k = 0.4271 0.4150 0.4138 ( 1268 PWs) bands (ev): 7.5965 7.5965 7.6709 7.6709 10.7361 10.7361 10.9920 10.9920 12.6173 12.6173 12.6848 12.6848 13.0036 13.0036 13.5296 13.5296 14.7767 14.7767 14.8225 14.8225 15.3190 15.3190 15.4622 15.4622 18.5553 18.5553 18.7117 18.7117 21.2927 21.2927 21.3926 21.3926 25.6962 25.6962 k = 0.4219 0.4240 0.4138 ( 1276 PWs) bands (ev): 7.6207 7.6207 7.7001 7.7001 10.6680 10.6680 10.9200 10.9200 12.6308 12.6308 12.7090 12.7090 13.0361 13.0361 13.5743 13.5743 14.8102 14.8102 14.8480 14.8480 15.2991 15.2991 15.4536 15.4536 18.5797 18.5797 18.7531 18.7531 21.1702 21.1702 21.2615 21.2615 25.7133 25.7133 k = 0.4167 0.4330 0.4138 ( 1276 PWs) bands (ev): 7.6459 7.6459 7.7301 7.7301 10.6020 10.6020 10.8499 10.8499 12.6441 12.6441 12.7330 12.7330 13.0651 13.0651 13.6138 13.6138 14.8460 14.8460 14.8747 14.8747 15.2814 15.2814 15.4467 15.4467 18.6032 18.6032 18.7954 18.7954 21.0487 21.0487 21.1285 21.1285 25.7309 25.7309 k = 0.4115 0.4420 0.4138 ( 1284 PWs) bands (ev): 7.6717 7.6717 7.7607 7.7607 10.5383 10.5383 10.7821 10.7821 12.6572 12.6572 12.7571 12.7571 13.0905 13.0905 13.6485 13.6485 14.8819 14.8819 14.9015 14.9015 15.2677 15.2677 15.4424 15.4424 18.6251 18.6251 18.8383 18.8383 20.9293 20.9293 20.9946 20.9946 25.7488 25.7488 k = 0.4062 0.4511 0.4138 ( 1288 PWs) bands (ev): 7.6980 7.6980 7.7916 7.7916 10.4772 10.4772 10.7169 10.7169 12.6700 12.6700 12.7813 12.7813 13.1120 13.1120 13.6789 13.6789 14.9144 14.9144 14.9271 14.9271 15.2608 15.2608 15.4418 15.4418 18.6449 18.6449 18.8817 18.8817 20.8131 20.8131 20.8606 20.8606 25.7668 25.7669 k = 0.4010 0.4601 0.4138 ( 1290 PWs) bands (ev): 7.7245 7.7245 7.8225 7.8225 10.4188 10.4188 10.6545 10.6545 12.6824 12.6824 12.8056 12.8056 13.1296 13.1296 13.7054 13.7054 14.9395 14.9395 14.9503 14.9503 15.2643 15.2643 15.4459 15.4459 18.6620 18.6620 18.9253 18.9253 20.7012 20.7012 20.7273 20.7273 25.7850 25.7850 k = 0.3958 0.4691 0.4138 ( 1290 PWs) bands (ev): 7.7509 7.7509 7.8533 7.8533 10.3634 10.3634 10.5951 10.5951 12.6943 12.6943 12.8301 12.8301 13.1436 13.1436 13.7287 13.7287 14.9533 14.9533 14.9695 14.9695 15.2809 15.2809 15.4558 15.4558 18.6757 18.6757 18.9690 18.9690 20.5949 20.5949 20.5956 20.5956 25.8030 25.8030 k = 0.3906 0.4781 0.4138 ( 1286 PWs) bands (ev): 7.7770 7.7770 7.8835 7.8835 10.3113 10.3113 10.5392 10.5392 12.7056 12.7056 12.8547 12.8547 13.1542 13.1542 13.7494 13.7494 14.9552 14.9552 14.9839 14.9839 15.3108 15.3108 15.4719 15.4719 18.6854 18.6854 19.0126 19.0126 20.4662 20.4662 20.4953 20.4953 25.8208 25.8208 k = 0.3854 0.4871 0.4138 ( 1286 PWs) bands (ev): 7.8024 7.8024 7.9128 7.9128 10.2627 10.2627 10.4869 10.4869 12.7162 12.7162 12.8792 12.8792 13.1617 13.1617 13.7681 13.7681 14.9473 14.9473 14.9929 14.9929 15.3508 15.3508 15.4942 15.4942 18.6906 18.6906 19.0560 19.0560 20.3400 20.3400 20.4035 20.4035 25.8381 25.8381 k = 0.3802 0.4962 0.4138 ( 1282 PWs) bands (ev): 7.8268 7.8268 7.9409 7.9409 10.2178 10.2178 10.4386 10.4386 12.7261 12.7261 12.9035 12.9035 13.1662 13.1662 13.7850 13.7850 14.9329 14.9329 14.9968 14.9968 15.3970 15.3970 15.5217 15.5217 18.6911 18.6911 19.0990 19.0990 20.2179 20.2179 20.3206 20.3206 25.8547 25.8547 k = 0.3750 0.5052 0.4138 ( 1282 PWs) bands (ev): 7.8498 7.8498 7.9673 7.9673 10.1769 10.1769 10.3944 10.3944 12.7350 12.7350 12.9274 12.9274 13.1682 13.1682 13.8005 13.8005 14.9147 14.9147 14.9965 14.9965 15.4457 15.4457 15.5531 15.5531 18.6866 18.6866 19.1415 19.1415 20.1008 20.1008 20.2474 20.2474 25.8705 25.8705 k = 0.3698 0.5142 0.4138 ( 1278 PWs) bands (ev): 7.8712 7.8712 7.9918 7.9918 10.1402 10.1402 10.3548 10.3548 12.7431 12.7431 12.9508 12.9508 13.1679 13.1679 13.8149 13.8149 14.8948 14.8948 14.9929 14.9929 15.4943 15.4943 15.5866 15.5866 18.6775 18.6775 19.1834 19.1834 19.9897 19.9897 20.1845 20.1845 25.8852 25.8852 k = 0.3646 0.5232 0.4138 ( 1274 PWs) bands (ev): 7.8906 7.8906 8.0140 8.0140 10.1080 10.1080 10.3200 10.3200 12.7502 12.7502 12.9733 12.9733 13.1657 13.1657 13.8280 13.8280 14.8748 14.8748 14.9871 14.9871 15.5406 15.5406 15.6202 15.6202 18.6646 18.6646 19.2246 19.2246 19.8856 19.8856 20.1321 20.1321 25.8986 25.8986 k = 0.3594 0.5322 0.4138 ( 1278 PWs) bands (ev): 7.9076 7.9076 8.0334 8.0334 10.0805 10.0805 10.2901 10.2901 12.7562 12.7562 12.9946 12.9946 13.1618 13.1618 13.8399 13.8399 14.8557 14.8557 14.9803 14.9803 15.5828 15.5828 15.6524 15.6524 18.6488 18.6488 19.2652 19.2652 19.7893 19.7893 20.0899 20.0899 25.9105 25.9105 k = 0.3542 0.5413 0.4138 ( 1278 PWs) bands (ev): 7.9220 7.9220 8.0498 8.0498 10.0578 10.0578 10.2655 10.2655 12.7613 12.7613 13.0145 13.0145 13.1565 13.1565 13.8502 13.8502 14.8385 14.8385 14.9732 14.9732 15.6195 15.6195 15.6813 15.6813 18.6318 18.6318 19.3051 19.3051 19.7020 19.7020 20.0575 20.0575 25.9207 25.9207 k = 0.3490 0.5503 0.4138 ( 1282 PWs) bands (ev): 7.9335 7.9335 8.0629 8.0629 10.0401 10.0401 10.2463 10.2463 12.7652 12.7652 13.0322 13.0322 13.1505 13.1505 13.8589 13.8589 14.8241 14.8241 14.9667 14.9667 15.6495 15.6495 15.7056 15.7056 18.6154 18.6154 19.3442 19.3442 19.6245 19.6245 20.0341 20.0341 25.9288 25.9289 k = 0.3438 0.5593 0.4138 ( 1286 PWs) bands (ev): 7.9418 7.9418 8.0724 8.0724 10.0274 10.0274 10.2326 10.2326 12.7681 12.7681 13.0469 13.0469 13.1443 13.1443 13.8654 13.8654 14.8131 14.8131 14.9614 14.9614 15.6718 15.6718 15.7240 15.7240 18.6015 18.6015 19.3827 19.3827 19.5577 19.5577 20.0186 20.0186 25.9349 25.9349 k = 0.3385 0.5683 0.4138 ( 1286 PWs) bands (ev): 7.9469 7.9469 8.0782 8.0782 10.0199 10.0199 10.2244 10.2244 12.7698 12.7698 13.0572 13.0572 13.1393 13.1393 13.8695 13.8695 14.8062 14.8062 14.9580 14.9580 15.6856 15.6856 15.7356 15.7356 18.5920 18.5920 19.4205 19.4205 19.5026 19.5026 20.0100 20.0100 25.9386 25.9386 k = 0.3333 0.5774 0.4138 ( 1290 PWs) bands (ev): 7.9486 7.9486 8.0801 8.0801 10.0174 10.0174 10.2217 10.2217 12.7704 12.7704 13.0610 13.0610 13.1373 13.1373 13.8709 13.8709 14.8038 14.8038 14.9567 14.9567 15.6902 15.6902 15.7395 15.7395 18.5885 18.5885 19.4523 19.4523 19.4648 19.4648 20.0074 20.0074 25.9399 25.9399 k = 0.3333 0.5774 0.4138 ( 1290 PWs) bands (ev): 7.9486 7.9486 8.0801 8.0801 10.0174 10.0174 10.2217 10.2217 12.7704 12.7704 13.0610 13.0610 13.1373 13.1373 13.8709 13.8709 14.8038 14.8038 14.9567 14.9567 15.6902 15.6902 15.7395 15.7395 18.5885 18.5885 19.4523 19.4523 19.4648 19.4648 20.0074 20.0074 25.9399 25.9399 k = 0.3280 0.5682 0.4138 ( 1286 PWs) bands (ev): 7.9469 7.9469 8.0781 8.0781 10.0199 10.0199 10.2244 10.2244 12.7698 12.7698 13.0570 13.0570 13.1393 13.1393 13.8694 13.8694 14.8063 14.8063 14.9581 14.9581 15.6854 15.6854 15.7354 15.7354 18.5925 18.5925 19.4263 19.4263 19.4971 19.4971 20.0098 20.0098 25.9385 25.9385 k = 0.3228 0.5590 0.4138 ( 1278 PWs) bands (ev): 7.9416 7.9416 8.0722 8.0722 10.0274 10.0274 10.2325 10.2325 12.7679 12.7679 13.0461 13.0461 13.1444 13.1444 13.8649 13.8649 14.8138 14.8138 14.9624 14.9624 15.6710 15.6710 15.7231 15.7231 18.6051 18.6051 19.4074 19.4074 19.5347 19.5347 20.0166 20.0166 25.9345 25.9345 k = 0.3175 0.5499 0.4138 ( 1278 PWs) bands (ev): 7.9329 7.9329 8.0624 8.0624 10.0394 10.0394 10.2456 10.2456 12.7646 12.7646 13.0300 13.0300 13.1504 13.1504 13.8576 13.8576 14.8261 14.8261 14.9696 14.9696 15.6476 15.6476 15.7031 15.7031 18.6267 18.6267 19.4004 19.4004 19.5728 19.5728 20.0271 20.0271 25.9275 25.9275 k = 0.3122 0.5407 0.4138 ( 1274 PWs) bands (ev): 7.9209 7.9209 8.0489 8.0489 10.0558 10.0558 10.2635 10.2635 12.7598 12.7598 13.0100 13.0100 13.1562 13.1562 13.8476 13.8476 14.8426 14.8426 14.9798 14.9798 15.6160 15.6160 15.6762 15.6762 18.6575 18.6575 19.4050 19.4050 19.6115 19.6115 20.0408 20.0408 25.9178 25.9178 k = 0.3069 0.5315 0.4138 ( 1270 PWs) bands (ev): 7.9059 7.9059 8.0320 8.0320 10.0762 10.0762 10.2856 10.2856 12.7534 12.7534 12.9866 12.9866 13.1609 13.1609 13.8354 13.8354 14.8626 14.8626 14.9926 14.9926 15.5776 15.5776 15.6437 15.6437 18.6973 18.6973 19.4201 19.4201 19.6513 19.6513 20.0572 20.0572 25.9052 25.9052 k = 0.3016 0.5224 0.4138 ( 1272 PWs) bands (ev): 7.8879 7.8879 8.0119 8.0119 10.1001 10.1001 10.3117 10.3117 12.7453 12.7453 12.9602 12.9602 13.1643 13.1643 13.8214 13.8214 14.8847 14.8847 15.0076 15.0076 15.5340 15.5340 15.6070 15.6070 18.7456 18.7456 19.4445 19.4445 19.6927 19.6927 20.0761 20.0761 25.8898 25.8898 k = 0.2963 0.5132 0.4138 ( 1272 PWs) bands (ev): 7.8673 7.8673 7.9888 7.9888 10.1273 10.1273 10.3412 10.3412 12.7353 12.7353 12.9309 12.9309 13.1660 13.1660 13.8062 13.8062 14.9074 14.9074 15.0241 15.0241 15.4877 15.4877 15.5680 15.5680 18.8016 18.8016 19.4768 19.4768 19.7364 19.7364 20.0972 20.0972 25.8717 25.8717 k = 0.2910 0.5040 0.4138 ( 1276 PWs) bands (ev): 7.8443 7.8443 7.9631 7.9631 10.1571 10.1571 10.3737 10.3737 12.7234 12.7234 12.8987 12.8987 13.1661 13.1661 13.7901 13.7901 14.9282 14.9282 15.0409 15.0409 15.4418 15.4418 15.5289 15.5289 18.8647 18.8647 19.5155 19.5155 19.7833 19.7833 20.1205 20.1205 25.8511 25.8511 k = 0.2857 0.4949 0.4138 ( 1280 PWs) bands (ev): 7.8191 7.8191 7.9351 7.9351 10.1893 10.1893 10.4088 10.4088 12.7093 12.7093 12.8639 12.8639 13.1644 13.1644 13.7734 13.7734 14.9436 14.9436 15.0563 15.0563 15.4005 15.4005 15.4925 15.4925 18.9341 18.9341 19.5587 19.5587 19.8341 19.8341 20.1459 20.1459 25.8281 25.8281 k = 0.2804 0.4857 0.4138 ( 1280 PWs) bands (ev): 7.7920 7.7920 7.9049 7.9049 10.2235 10.2235 10.4459 10.4459 12.6929 12.6929 12.8265 12.8265 13.1609 13.1609 13.7565 13.7565 14.9491 14.9491 15.0681 15.0681 15.3692 15.3692 15.4619 15.4619 19.0088 19.0088 19.6050 19.6050 19.8897 19.8897 20.1734 20.1734 25.8027 25.8027 k = 0.2751 0.4765 0.4138 ( 1280 PWs) bands (ev): 7.7631 7.7631 7.8728 7.8728 10.2591 10.2591 10.4847 10.4847 12.6743 12.6743 12.7866 12.7866 13.1556 13.1556 13.7393 13.7393 14.9406 14.9406 15.0737 15.0737 15.3529 15.3529 15.4404 15.4404 19.0882 19.0882 19.6529 19.6529 19.9508 19.9508 20.2031 20.2031 25.7753 25.7753 k = 0.2698 0.4674 0.4138 ( 1284 PWs) bands (ev): 7.7327 7.7327 7.8390 7.8390 10.2959 10.2959 10.5248 10.5248 12.6533 12.6533 12.7443 12.7443 13.1484 13.1484 13.7220 13.7220 14.9170 14.9170 15.0710 15.0710 15.3534 15.3534 15.4308 15.4308 19.1715 19.1715 19.7015 19.7015 20.0177 20.0177 20.2351 20.2351 25.7459 25.7459 k = 0.2646 0.4582 0.4138 ( 1284 PWs) bands (ev): 7.7009 7.7009 7.8038 7.8038 10.3335 10.3335 10.5658 10.5658 12.6300 12.6300 12.7000 12.7000 13.1394 13.1394 13.7042 13.7042 14.8814 14.8814 15.0600 15.0600 15.3686 15.3686 15.4338 15.4338 19.2582 19.2582 19.7502 19.7502 20.0904 20.0904 20.2694 20.2694 25.7148 25.7148 k = 0.2593 0.4491 0.4138 ( 1278 PWs) bands (ev): 7.6679 7.6679 7.7673 7.7673 10.3716 10.3716 10.6074 10.6074 12.6044 12.6044 12.6536 12.6536 13.1285 13.1285 13.6857 13.6857 14.8388 14.8388 15.0424 15.0424 15.3944 15.3944 15.4478 15.4478 19.3475 19.3475 19.7990 19.7990 20.1684 20.1684 20.3061 20.3061 25.6822 25.6822 k = 0.2540 0.4399 0.4138 ( 1274 PWs) bands (ev): 7.6338 7.6338 7.7297 7.7297 10.4098 10.4098 10.6490 10.6490 12.5766 12.5766 12.6055 12.6055 13.1158 13.1158 13.6661 13.6661 14.7939 14.7939 15.0213 15.0213 15.4269 15.4269 15.4701 15.4701 19.4390 19.4390 19.8480 19.8480 20.2511 20.2511 20.3455 20.3455 25.6482 25.6482 k = 0.2487 0.4307 0.4138 ( 1280 PWs) bands (ev): 7.5987 7.5987 7.6910 7.6910 10.4479 10.4479 10.6905 10.6905 12.5466 12.5466 12.5559 12.5559 13.1015 13.1015 13.6449 13.6449 14.7504 14.7504 14.9995 14.9995 15.4632 15.4632 15.4980 15.4980 19.5322 19.5322 19.8976 19.8976 20.3379 20.3379 20.3875 20.3875 25.6129 25.6129 k = 0.2434 0.4216 0.4138 ( 1276 PWs) bands (ev): 7.5628 7.5628 7.6515 7.6515 10.4855 10.4855 10.7315 10.7315 12.5049 12.5049 12.5148 12.5148 13.0858 13.0858 13.6217 13.6217 14.7107 14.7107 14.9791 14.9791 15.5016 15.5016 15.5293 15.5293 19.6268 19.6268 19.9481 19.9481 20.4279 20.4279 20.4323 20.4323 25.5765 25.5766 k = 0.2381 0.4124 0.4138 ( 1276 PWs) bands (ev): 7.5262 7.5262 7.6112 7.6112 10.5224 10.5224 10.7716 10.7716 12.4529 12.4529 12.4810 12.4810 13.0691 13.0691 13.5962 13.5962 14.6767 14.6767 14.9614 14.9614 15.5407 15.5407 15.5626 15.5626 19.7223 19.7223 20.0000 20.0000 20.4799 20.4799 20.5204 20.5204 25.5393 25.5393 k = 0.2328 0.4032 0.4138 ( 1276 PWs) bands (ev): 7.4888 7.4888 7.5702 7.5702 10.5583 10.5583 10.8106 10.8106 12.3999 12.3999 12.4457 12.4457 13.0516 13.0516 13.5684 13.5684 14.6494 14.6494 14.9473 14.9473 15.5795 15.5795 15.5967 15.5967 19.8185 19.8185 20.0536 20.0536 20.5304 20.5304 20.6149 20.6149 25.5011 25.5011 k = 0.2275 0.3941 0.4138 ( 1276 PWs) bands (ev): 7.4509 7.4509 7.5286 7.5286 10.5931 10.5931 10.8481 10.8481 12.3464 12.3464 12.4088 12.4088 13.0337 13.0337 13.5384 13.5384 14.6296 14.6296 14.9373 14.9373 15.6174 15.6174 15.6306 15.6306 19.9152 19.9152 20.1091 20.1091 20.5838 20.5838 20.7107 20.7107 25.4623 25.4623 k = 0.2222 0.3849 0.4138 ( 1284 PWs) bands (ev): 7.4124 7.4124 7.4864 7.4864 10.6264 10.6264 10.8838 10.8838 12.2924 12.2924 12.3706 12.3706 13.0161 13.0161 13.5067 13.5067 14.6174 14.6174 14.9315 14.9315 15.6540 15.6540 15.6639 15.6639 20.0121 20.0121 20.1667 20.1667 20.6400 20.6400 20.8074 20.8074 25.4226 25.4226 k = 0.2169 0.3757 0.4138 ( 1284 PWs) bands (ev): 7.3734 7.3734 7.4438 7.4438 10.6582 10.6582 10.9175 10.9175 12.2384 12.2384 12.3311 12.3311 12.9992 12.9992 13.4738 13.4738 14.6126 14.6126 14.9301 14.9301 15.6887 15.6887 15.6959 15.6959 20.1090 20.1090 20.2266 20.2266 20.6989 20.6989 20.9046 20.9046 25.3824 25.3824 k = 0.2116 0.3666 0.4138 ( 1280 PWs) bands (ev): 7.3339 7.3339 7.4007 7.4007 10.6882 10.6882 10.9488 10.9488 12.1844 12.1844 12.2905 12.2905 12.9835 12.9835 13.4406 13.4406 14.6148 14.6148 14.9328 14.9328 15.7213 15.7213 15.7263 15.7263 20.2059 20.2059 20.2890 20.2890 20.7603 20.7603 21.0017 21.0017 25.3414 25.3414 k = 0.2063 0.3574 0.4138 ( 1276 PWs) bands (ev): 7.2941 7.2941 7.3573 7.3573 10.7163 10.7163 10.9775 10.9775 12.1307 12.1307 12.2490 12.2490 12.9696 12.9696 13.4080 13.4080 14.6234 14.6234 14.9395 14.9395 15.7516 15.7516 15.7548 15.7548 20.3027 20.3027 20.3537 20.3537 20.8241 20.8241 21.0986 21.0986 25.2997 25.2997 k = 0.2011 0.3482 0.4138 ( 1280 PWs) bands (ev): 7.2538 7.2538 7.3135 7.3135 10.7424 10.7424 11.0034 11.0034 12.0776 12.0776 12.2065 12.2065 12.9581 12.9581 13.3767 13.3767 14.6377 14.6377 14.9498 14.9498 15.7794 15.7794 15.7811 15.7811 20.3993 20.3993 20.4207 20.4207 20.8900 20.8900 21.1947 21.1947 25.2571 25.2571 k = 0.1958 0.3391 0.4138 ( 1284 PWs) bands (ev): 7.2132 7.2132 7.2694 7.2694 10.7664 10.7664 11.0261 11.0261 12.0253 12.0253 12.1633 12.1633 12.9492 12.9492 13.3477 13.3477 14.6570 14.6570 14.9635 14.9635 15.8046 15.8046 15.8051 15.8051 20.4900 20.4900 20.4956 20.4956 20.9576 20.9576 21.2899 21.2899 25.2136 25.2136 k = 0.1905 0.3299 0.4138 ( 1280 PWs) bands (ev): 7.1724 7.1724 7.2251 7.2251 10.7882 10.7882 11.0456 11.0456 11.9739 11.9739 12.1195 12.1195 12.9436 12.9436 13.3215 13.3215 14.6807 14.6807 14.9802 14.9802 15.8267 15.8267 15.8272 15.8272 20.5615 20.5615 20.5916 20.5916 21.0267 21.0267 21.3838 21.3838 25.1689 25.1689 k = 0.1852 0.3208 0.4138 ( 1276 PWs) bands (ev): 7.1313 7.1313 7.1806 7.1806 10.8077 10.8077 11.0618 11.0618 11.9238 11.9238 12.0751 12.0751 12.9414 12.9414 13.2988 13.2988 14.7081 14.7081 14.9996 14.9996 15.8457 15.8457 15.8471 15.8471 20.6349 20.6349 20.6873 20.6873 21.0969 21.0969 21.4762 21.4762 25.1228 25.1228 k = 0.1799 0.3116 0.4138 ( 1276 PWs) bands (ev): 7.0900 7.0900 7.1360 7.1360 10.8251 10.8251 11.0745 11.0745 11.8749 11.8749 12.0303 12.0303 12.9430 12.9430 13.2800 13.2800 14.7387 14.7387 15.0213 15.0213 15.8623 15.8623 15.8644 15.8644 20.7101 20.7101 20.7825 20.7825 21.1679 21.1679 21.5669 21.5669 25.0751 25.0751 k = 0.1746 0.3024 0.4138 ( 1276 PWs) bands (ev): 7.0485 7.0485 7.0914 7.0914 10.8402 10.8402 11.0839 11.0839 11.8275 11.8275 11.9852 11.9852 12.9486 12.9486 13.2654 13.2654 14.7720 14.7720 15.0450 15.0450 15.8764 15.8764 15.8792 15.8792 20.7867 20.7867 20.8772 20.8772 21.2393 21.2393 21.6556 21.6556 25.0254 25.0254 k = 0.1693 0.2933 0.4138 ( 1272 PWs) bands (ev): 7.0070 7.0070 7.0467 7.0467 10.8533 10.8533 11.0899 11.0899 11.7816 11.7816 11.9400 11.9400 12.9581 12.9581 13.2552 13.2552 14.8075 14.8075 15.0704 15.0704 15.8881 15.8881 15.8915 15.8915 20.8646 20.8646 20.9713 20.9713 21.3106 21.3106 21.7422 21.7422 24.9735 24.9735 k = 0.1640 0.2841 0.4138 ( 1272 PWs) bands (ev): 6.9655 6.9655 7.0021 7.0021 10.8644 10.8644 11.0928 11.0928 11.7375 11.7375 11.8949 11.8949 12.9716 12.9716 13.2493 13.2493 14.8448 14.8448 15.0973 15.0973 15.8976 15.8976 15.9015 15.9015 20.9433 20.9433 21.0646 21.0646 21.3817 21.3817 21.8264 21.8264 24.9189 24.9191 k = 0.1587 0.2749 0.4138 ( 1272 PWs) bands (ev): 6.9240 6.9240 6.9577 6.9577 10.8735 10.8735 11.0928 11.0928 11.6950 11.6950 11.8501 11.8501 12.9889 12.9889 13.2477 13.2477 14.8835 14.8835 15.1252 15.1252 15.9048 15.9048 15.9093 15.9093 21.0227 21.0227 21.1570 21.1570 21.4522 21.4522 21.9080 21.9080 24.8548 24.8549 k = 0.1534 0.2658 0.4138 ( 1270 PWs) bands (ev): 6.8826 6.8826 6.9135 6.9135 10.8809 10.8809 11.0901 11.0901 11.6543 11.6543 11.8057 11.8057 13.0098 13.0098 13.2504 13.2504 14.9234 14.9234 15.1540 15.1540 15.9101 15.9101 15.9152 15.9152 21.1024 21.1024 21.2484 21.2484 21.5218 21.5218 21.9870 21.9870 24.7773 24.7773 k = 0.1481 0.2566 0.4138 ( 1270 PWs) bands (ev): 6.8414 6.8414 6.8695 6.8695 10.8868 10.8868 11.0850 11.0850 11.6154 11.6154 11.7618 11.7618 13.0342 13.0342 13.2570 13.2570 14.9640 14.9640 15.1834 15.1834 15.9135 15.9135 15.9192 15.9192 21.1821 21.1821 21.3384 21.3384 21.5903 21.5903 22.0630 22.0630 24.6957 24.6958 k = 0.1429 0.2474 0.4138 ( 1268 PWs) bands (ev): 6.8004 6.8004 6.8260 6.8260 10.8912 10.8912 11.0779 11.0779 11.5783 11.5783 11.7188 11.7188 13.0617 13.0617 13.2673 13.2673 15.0052 15.0052 15.2132 15.2132 15.9153 15.9153 15.9216 15.9216 21.2614 21.2614 21.4269 21.4269 21.6573 21.6573 22.1361 22.1361 24.6102 24.6102 k = 0.1376 0.2383 0.4138 ( 1268 PWs) bands (ev): 6.7598 6.7598 6.7829 6.7829 10.8944 10.8944 11.0690 11.0690 11.5430 11.5430 11.6766 11.6766 13.0920 13.0920 13.2809 13.2809 15.0467 15.0467 15.2431 15.2431 15.9157 15.9157 15.9226 15.9226 21.3400 21.3400 21.5137 21.5137 21.7227 21.7227 22.2061 22.2061 24.5210 24.5210 k = 0.1323 0.2291 0.4138 ( 1272 PWs) bands (ev): 6.7196 6.7196 6.7404 6.7404 10.8964 10.8964 11.0588 11.0588 11.5094 11.5094 11.6356 11.6356 13.1246 13.1246 13.2976 13.2976 15.0883 15.0883 15.2730 15.2730 15.9148 15.9148 15.9223 15.9223 21.4177 21.4177 21.5985 21.5985 21.7862 21.7862 22.2728 22.2728 24.4283 24.4283 k = 0.1270 0.2199 0.4138 ( 1272 PWs) bands (ev): 6.6799 6.6799 6.6985 6.6985 10.8976 10.8976 11.0474 11.0474 11.4777 11.4777 11.5957 11.5957 13.1593 13.1593 13.3170 13.3170 15.1297 15.1297 15.3027 15.3027 15.9129 15.9129 15.9210 15.9210 21.4942 21.4942 21.6812 21.6812 21.8479 21.8479 22.3362 22.3362 24.3327 24.3327 k = 0.1217 0.2108 0.4138 ( 1272 PWs) bands (ev): 6.6409 6.6409 6.6574 6.6574 10.8979 10.8979 11.0352 11.0352 11.4477 11.4477 11.5572 11.5572 13.1957 13.1957 13.3387 13.3387 15.1707 15.1707 15.3320 15.3320 15.9102 15.9102 15.9189 15.9189 21.5691 21.5691 21.7614 21.7614 21.9074 21.9074 22.3961 22.3961 24.2347 24.2347 k = 0.1164 0.2016 0.4138 ( 1272 PWs) bands (ev): 6.6026 6.6026 6.6172 6.6172 10.8976 10.8976 11.0225 11.0225 11.4194 11.4194 11.5203 11.5203 13.2334 13.2334 13.3623 13.3623 15.2112 15.2112 15.3607 15.3607 15.9069 15.9069 15.9161 15.9161 21.6423 21.6423 21.8388 21.8388 21.9649 21.9649 22.4525 22.4525 24.1350 24.1350 k = 0.1111 0.1925 0.4138 ( 1272 PWs) bands (ev): 6.5651 6.5651 6.5779 6.5779 10.8967 10.8967 11.0094 11.0094 11.3929 11.3929 11.4849 11.4849 13.2719 13.2719 13.3876 13.3876 15.2510 15.2510 15.3888 15.3888 15.9031 15.9031 15.9128 15.9128 21.7134 21.7134 21.9130 21.9130 22.0204 22.0204 22.5053 22.5053 24.0344 24.0344 k = 0.1058 0.1833 0.4138 ( 1276 PWs) bands (ev): 6.5285 6.5285 6.5396 6.5396 10.8953 10.8953 10.9961 10.9961 11.3681 11.3681 11.4511 11.4511 13.3110 13.3110 13.4140 13.4140 15.2900 15.2900 15.4161 15.4161 15.8991 15.8991 15.9091 15.9091 21.7823 21.7823 21.9834 21.9834 22.0742 22.0742 22.5544 22.5544 23.9338 23.9338 k = 0.1005 0.1741 0.4138 ( 1280 PWs) bands (ev): 6.4929 6.4929 6.5025 6.5025 10.8935 10.8935 10.9828 10.9828 11.3450 11.3450 11.4192 11.4192 13.3503 13.3503 13.4413 13.4413 15.3280 15.3280 15.4425 15.4425 15.8950 15.8950 15.9052 15.9052 21.8488 21.8488 22.0490 22.0490 22.1271 22.1271 22.5998 22.5998 23.8338 23.8338 k = 0.0952 0.1650 0.4138 ( 1288 PWs) bands (ev): 6.4584 6.4584 6.4667 6.4667 10.8913 10.8913 10.9697 10.9697 11.3236 11.3236 11.3892 11.3892 13.3894 13.3894 13.4691 13.4691 15.3650 15.3650 15.4681 15.4681 15.8910 15.8910 15.9013 15.9013 21.9125 21.9125 22.1083 22.1083 22.1802 22.1802 22.6413 22.6413 23.7355 23.7355 k = 0.0899 0.1558 0.4138 ( 1292 PWs) bands (ev): 6.4252 6.4252 6.4322 6.4322 10.8889 10.8889 10.9568 10.9568 11.3038 11.3038 11.3610 11.3610 13.4280 13.4280 13.4971 13.4971 15.4007 15.4007 15.4927 15.4927 15.8871 15.8871 15.8973 15.8973 21.9732 21.9732 22.1600 22.1600 22.2346 22.2346 22.6790 22.6790 23.6398 23.6398 k = 0.0847 0.1466 0.4138 ( 1288 PWs) bands (ev): 6.3933 6.3933 6.3991 6.3991 10.8861 10.8861 10.9442 10.9442 11.2856 11.2856 11.3349 11.3349 13.4657 13.4657 13.5251 13.5251 15.4352 15.4352 15.5164 15.5164 15.8834 15.8834 15.8934 15.8934 22.0308 22.0308 22.2040 22.2040 22.2902 22.2902 22.7126 22.7126 23.5477 23.5477 k = 0.0794 0.1375 0.4138 ( 1288 PWs) bands (ev): 6.3627 6.3627 6.3676 6.3676 10.8830 10.8830 10.9320 10.9320 11.2691 11.2691 11.3108 11.3108 13.5023 13.5023 13.5526 13.5526 15.4683 15.4683 15.5391 15.5391 15.8799 15.8799 15.8896 15.8896 22.0848 22.0848 22.2413 22.2413 22.3458 22.3458 22.7421 22.7421 23.4600 23.4600 k = 0.0741 0.1283 0.4138 ( 1284 PWs) bands (ev): 6.3337 6.3337 6.3377 6.3377 10.8796 10.8796 10.9203 10.9203 11.2540 11.2540 11.2888 11.2888 13.5375 13.5375 13.5795 13.5795 15.5001 15.5001 15.5609 15.5609 15.8767 15.8767 15.8859 15.8859 22.1350 22.1350 22.2726 22.2726 22.4004 22.4004 22.7672 22.7672 23.3780 23.3780 k = 0.0688 0.1191 0.4138 ( 1280 PWs) bands (ev): 6.3063 6.3063 6.3095 6.3095 10.8761 10.8761 10.9092 10.9092 11.2404 11.2404 11.2689 11.2689 13.5710 13.5710 13.6056 13.6056 15.5304 15.5304 15.5819 15.5819 15.8736 15.8736 15.8822 15.8822 22.1809 22.1809 22.2985 22.2985 22.4533 22.4533 22.7879 22.7879 23.3028 23.3028 k = 0.0635 0.1100 0.4138 ( 1278 PWs) bands (ev): 6.2805 6.2805 6.2830 6.2830 10.8722 10.8722 10.8987 10.8987 11.2282 11.2282 11.2510 11.2510 13.6027 13.6027 13.6305 13.6305 15.5593 15.5593 15.6022 15.6022 15.8707 15.8707 15.8786 15.8786 22.2221 22.2221 22.3192 22.3192 22.5041 22.5041 22.8039 22.8039 23.2355 23.2355 k = 0.0582 0.1008 0.4138 ( 1278 PWs) bands (ev): 6.2565 6.2565 6.2584 6.2584 10.8682 10.8682 10.8888 10.8888 11.2173 11.2173 11.2351 11.2351 13.6322 13.6322 13.6542 13.6542 15.5867 15.5867 15.6217 15.6217 15.8678 15.8678 15.8749 15.8749 22.2578 22.2578 22.3349 22.3349 22.5525 22.5525 22.8153 22.8153 23.1773 23.1773 k = 0.0529 0.0916 0.4138 ( 1278 PWs) bands (ev): 6.2343 6.2343 6.2357 6.2357 10.8641 10.8641 10.8797 10.8797 11.2076 11.2076 11.2212 11.2212 13.6595 13.6595 13.6763 13.6763 15.6126 15.6126 15.6405 15.6405 15.8647 15.8647 15.8711 15.8711 22.2875 22.2875 22.3458 22.3458 22.5984 22.5984 22.8221 22.8221 23.1291 23.1291 k = 0.0476 0.0825 0.4138 ( 1282 PWs) bands (ev): 6.2140 6.2140 6.2150 6.2150 10.8599 10.8599 10.8714 10.8714 11.1991 11.1991 11.2091 11.2091 13.6843 13.6843 13.6968 13.6968 15.6372 15.6372 15.6588 15.6588 15.8614 15.8614 15.8669 15.8669 22.3106 22.3106 22.3520 22.3520 22.6418 22.6418 22.8255 22.8255 23.0909 23.0909 k = 0.0423 0.0733 0.4138 ( 1282 PWs) bands (ev): 6.1956 6.1956 6.1964 6.1964 10.8557 10.8557 10.8638 10.8638 11.1918 11.1918 11.1988 11.1988 13.7066 13.7066 13.7156 13.7156 15.6603 15.6603 15.6766 15.6766 15.8577 15.8577 15.8624 15.8624 22.3267 22.3267 22.3541 22.3541 22.6827 22.6827 22.8271 22.8271 23.0617 23.0617 k = 0.0370 0.0642 0.4138 ( 1286 PWs) bands (ev): 6.1793 6.1793 6.1798 6.1798 10.8517 10.8517 10.8571 10.8571 11.1854 11.1854 11.1901 11.1901 13.7264 13.7264 13.7325 13.7325 15.6819 15.6819 15.6938 15.6938 15.8534 15.8534 15.8573 15.8573 22.3360 22.3360 22.3526 22.3526 22.7209 22.7209 22.8289 22.8289 23.0397 23.0397 k = 0.0317 0.0550 0.4138 ( 1286 PWs) bands (ev): 6.1650 6.1650 6.1653 6.1653 10.8479 10.8479 10.8513 10.8513 11.1800 11.1800 11.1830 11.1830 13.7434 13.7434 13.7473 13.7473 15.7023 15.7023 15.7104 15.7104 15.8485 15.8485 15.8515 15.8515 22.3392 22.3392 22.3484 22.3484 22.7564 22.7564 22.8328 22.8328 23.0226 23.0226 k = 0.0265 0.0458 0.4138 ( 1286 PWs) bands (ev): 6.1528 6.1528 6.1530 6.1530 10.8444 10.8444 10.8464 10.8464 11.1755 11.1755 11.1772 11.1772 13.7578 13.7578 13.7601 13.7601 15.7212 15.7212 15.7265 15.7265 15.8428 15.8428 15.8450 15.8450 22.3379 22.3379 22.3424 22.3424 22.7892 22.7892 22.8397 22.8397 23.0082 23.0082 k = 0.0212 0.0367 0.4138 ( 1284 PWs) bands (ev): 6.1428 6.1428 6.1429 6.1429 10.8414 10.8414 10.8424 10.8424 11.1719 11.1719 11.1728 11.1728 13.7695 13.7695 13.7707 13.7707 15.7387 15.7387 15.7419 15.7419 15.8362 15.8362 15.8377 15.8377 22.3338 22.3338 22.3358 22.3358 22.8191 22.8191 22.8496 22.8496 22.9950 22.9950 k = 0.0159 0.0275 0.4138 ( 1284 PWs) bands (ev): 6.1350 6.1350 6.1350 6.1350 10.8389 10.8389 10.8393 10.8393 11.1691 11.1691 11.1694 11.1694 13.7786 13.7786 13.7791 13.7791 15.7549 15.7549 15.7565 15.7565 15.8286 15.8286 15.8296 15.8296 22.3287 22.3287 22.3294 22.3294 22.8460 22.8460 22.8618 22.8618 22.9821 22.9821 k = 0.0106 0.0183 0.4138 ( 1284 PWs) bands (ev): 6.1294 6.1294 6.1294 6.1294 10.8370 10.8370 10.8371 10.8371 11.1671 11.1671 11.1672 11.1672 13.7850 13.7850 13.7851 13.7851 15.7694 15.7694 15.7701 15.7701 15.8202 15.8202 15.8206 15.8206 22.3239 22.3239 22.3241 22.3241 22.8690 22.8690 22.8751 22.8751 22.9693 22.9693 k = 0.0053 0.0092 0.4138 ( 1284 PWs) bands (ev): 6.1260 6.1260 6.1260 6.1260 10.8358 10.8358 10.8358 10.8358 11.1658 11.1658 11.1658 11.1658 13.7888 13.7888 13.7888 13.7888 15.7819 15.7819 15.7821 15.7821 15.8114 15.8114 15.8115 15.8115 22.3207 22.3207 22.3207 22.3207 22.8862 22.8862 22.8873 22.8873 22.9579 22.9579 k = 0.0000 0.0000 0.4138 ( 1288 PWs) bands (ev): 6.1249 6.1249 6.1249 6.1249 10.8354 10.8354 10.8354 10.8354 11.1654 11.1654 11.1654 11.1654 13.7900 13.7900 13.7900 13.7900 15.7886 15.7886 15.7886 15.7886 15.8060 15.8060 15.8060 15.8060 22.3195 22.3195 22.3195 22.3195 22.8931 22.8931 22.8931 22.8931 22.9523 22.9523 k = 0.5000 0.2887 0.4138 ( 1256 PWs) bands (ev): 7.4310 7.4310 7.4310 7.4310 11.7134 11.7134 11.7134 11.7134 12.3399 12.3399 12.3399 12.3399 12.7425 12.7425 12.7425 12.7425 14.6620 14.6620 14.6620 14.6620 15.5296 15.5296 15.5296 15.5296 18.3514 18.3514 18.3514 18.3514 22.4767 22.4767 22.4767 22.4767 25.5831 25.5831 k = 0.5000 0.2887 0.4031 ( 1260 PWs) bands (ev): 7.4012 7.4012 7.4617 7.4617 11.6712 11.6712 11.7514 11.7514 12.2910 12.2910 12.3879 12.3879 12.7239 12.7239 12.7630 12.7630 14.6390 14.6390 14.6858 14.6858 15.5051 15.5051 15.5559 15.5559 18.3355 18.3355 18.3717 18.3717 22.3490 22.3490 22.6031 22.6031 25.4799 25.4799 k = 0.5000 0.2887 0.3925 ( 1260 PWs) bands (ev): 7.3722 7.3722 7.4932 7.4932 11.6256 11.6256 11.7840 11.7840 12.2431 12.2431 12.4332 12.4332 12.7064 12.7064 12.7866 12.7866 14.6171 14.6171 14.7102 14.7102 15.4825 15.4825 15.5841 15.5841 18.3239 18.3239 18.3962 18.3962 22.2202 22.2202 22.7285 22.7285 25.3773 25.3773 k = 0.5000 0.2887 0.3819 ( 1260 PWs) bands (ev): 7.3441 7.3441 7.5255 7.5255 11.5773 11.5773 11.8093 11.8093 12.1984 12.1984 12.4738 12.4738 12.6895 12.6895 12.8146 12.8146 14.5963 14.5963 14.7350 14.7350 15.4620 15.4620 15.6138 15.6138 18.3164 18.3164 18.4251 18.4251 22.0903 22.0903 22.8526 22.8526 25.2758 25.2758 k = 0.5000 0.2887 0.3713 ( 1260 PWs) bands (ev): 7.3168 7.3168 7.5587 7.5587 11.5268 11.5268 11.8248 11.8248 12.1598 12.1598 12.5079 12.5079 12.6735 12.6735 12.8479 12.8479 14.5770 14.5770 14.7603 14.7603 15.4434 15.4434 15.6449 15.6449 18.3131 18.3131 18.4585 18.4585 21.9592 21.9592 22.9756 22.9756 25.1759 25.1759 k = 0.5000 0.2887 0.3607 ( 1268 PWs) bands (ev): 7.2904 7.2904 7.5926 7.5926 11.4745 11.4745 11.8277 11.8277 12.1300 12.1300 12.5337 12.5337 12.6593 12.6593 12.8870 12.8870 14.5595 14.5595 14.7857 14.7857 15.4267 15.4267 15.6771 15.6771 18.3139 18.3139 18.4963 18.4963 21.8271 21.8271 23.0974 23.0974 25.0779 25.0779 k = 0.5000 0.2887 0.3501 ( 1264 PWs) bands (ev): 7.2648 7.2648 7.6274 7.6274 11.4207 11.4207 11.8163 11.8163 12.1108 12.1108 12.5488 12.5488 12.6497 12.6497 12.9315 12.9315 14.5442 14.5442 14.8113 14.8113 15.4120 15.4120 15.7103 15.7103 18.3188 18.3188 18.5387 18.5387 21.6939 21.6939 23.2180 23.2180 24.9821 24.9821 k = 0.5000 0.2887 0.3395 ( 1264 PWs) bands (ev): 7.2400 7.2400 7.6629 7.6629 11.3657 11.3657 11.7917 11.7917 12.1009 12.1009 12.5502 12.5502 12.6485 12.6485 12.9803 12.9803 14.5313 14.5313 14.8369 14.8369 15.3989 15.3989 15.7441 15.7441 18.3275 18.3275 18.5857 18.5857 21.5598 21.5598 23.3374 23.3374 24.8887 24.8887 k = 0.5000 0.2887 0.3289 ( 1264 PWs) bands (ev): 7.2161 7.2161 7.6993 7.6993 11.3097 11.3097 11.7573 11.7573 12.0968 12.0968 12.5390 12.5390 12.6561 12.6561 13.0320 13.0320 14.5215 14.5215 14.8625 14.8625 15.3875 15.3875 15.7781 15.7781 18.3401 18.3401 18.6374 18.6374 21.4246 21.4246 23.4557 23.4557 24.7979 24.7979 k = 0.5000 0.2887 0.3183 ( 1260 PWs) bands (ev): 7.1931 7.1931 7.7363 7.7363 11.2530 11.2530 11.7169 11.7169 12.0949 12.0949 12.5196 12.5196 12.6691 12.6691 13.0851 13.0851 14.5152 14.5152 14.8879 14.8879 15.3775 15.3775 15.8122 15.8122 18.3564 18.3564 18.6938 18.6938 21.2886 21.2886 23.5726 23.5726 24.7101 24.7101 k = 0.5000 0.2887 0.3077 ( 1260 PWs) bands (ev): 7.1708 7.1708 7.7741 7.7741 11.1957 11.1957 11.6732 11.6732 12.0925 12.0925 12.4954 12.4954 12.6850 12.6850 13.1383 13.1383 14.5130 14.5130 14.9132 14.9132 15.3690 15.3690 15.8460 15.8460 18.3762 18.3762 18.7550 18.7550 21.1517 21.1517 23.6879 23.6879 24.6255 24.6255 k = 0.5000 0.2887 0.2971 ( 1260 PWs) bands (ev): 7.1494 7.1494 7.8126 7.8126 11.1380 11.1380 11.6279 11.6279 12.0880 12.0880 12.4681 12.4681 12.7030 12.7030 13.1905 13.1905 14.5156 14.5156 14.9381 14.9381 15.3616 15.3616 15.8793 15.8793 18.3993 18.3993 18.8210 18.8210 21.0140 21.0140 23.8013 23.8013 24.5446 24.5446 k = 0.5000 0.2887 0.2864 ( 1260 PWs) bands (ev): 7.1288 7.1288 7.8517 7.8517 11.0802 11.0802 11.5823 11.5823 12.0809 12.0809 12.4385 12.4385 12.7225 12.7225 13.2406 13.2406 14.5236 14.5236 14.9627 14.9627 15.3554 15.3554 15.9117 15.9117 18.4255 18.4255 18.8918 18.8918 20.8755 20.8755 23.9117 23.9117 24.4687 24.4687 k = 0.5000 0.2887 0.2758 ( 1274 PWs) bands (ev): 7.1090 7.1090 7.8914 7.8914 11.0224 11.0224 11.5369 11.5369 12.0708 12.0708 12.4072 12.4072 12.7434 12.7434 13.2876 13.2876 14.5376 14.5376 14.9868 14.9868 15.3503 15.3503 15.9431 15.9431 18.4545 18.4545 18.9676 18.9676 20.7364 20.7364 24.0158 24.0158 24.4010 24.4010 k = 0.5000 0.2887 0.2652 ( 1274 PWs) bands (ev): 7.0900 7.0900 7.9316 7.9316 10.9648 10.9648 11.4922 11.4922 12.0579 12.0579 12.3744 12.3744 12.7653 12.7653 13.3306 13.3306 14.5582 14.5582 15.0104 15.0104 15.3462 15.3462 15.9731 15.9731 18.4860 18.4860 19.0481 19.0481 20.5967 20.5967 24.1025 24.1025 24.3529 24.3529 k = 0.5000 0.2887 0.2546 ( 1278 PWs) bands (ev): 7.0718 7.0718 7.9724 7.9724 10.9075 10.9075 11.4486 11.4486 12.0424 12.0424 12.3403 12.3403 12.7881 12.7881 13.3692 13.3692 14.5859 14.5859 15.0335 15.0335 15.3431 15.3431 16.0017 16.0017 18.5198 18.5198 19.1334 19.1334 20.4565 20.4565 24.1371 24.1371 24.3591 24.3591 k = 0.5000 0.2887 0.2440 ( 1278 PWs) bands (ev): 7.0543 7.0543 8.0137 8.0137 10.8507 10.8507 11.4062 11.4062 12.0248 12.0248 12.3052 12.3052 12.8115 12.8115 13.4028 13.4028 14.6207 14.6207 15.0558 15.0558 15.3411 15.3411 16.0288 16.0288 18.5556 18.5556 19.2233 19.2233 20.3160 20.3160 24.1080 24.1080 24.4312 24.4312 k = 0.5000 0.2887 0.2334 ( 1274 PWs) bands (ev): 7.0377 7.0377 8.0553 8.0553 10.7946 10.7946 11.3653 11.3653 12.0054 12.0054 12.2693 12.2693 12.8352 12.8352 13.4312 13.4312 14.6626 14.6626 15.0775 15.0775 15.3403 15.3403 16.0542 16.0542 18.5929 18.5929 19.3177 19.3177 20.1752 20.1752 24.0554 24.0554 24.5291 24.5291 k = 0.5000 0.2887 0.2228 ( 1270 PWs) bands (ev): 7.0219 7.0219 8.0972 8.0972 10.7392 10.7392 11.3257 11.3257 11.9845 11.9845 12.2328 12.2328 12.8589 12.8589 13.4547 13.4547 14.7111 14.7111 15.0984 15.0984 15.3409 15.3409 16.0778 16.0778 18.6314 18.6314 19.4164 19.4164 20.0343 20.0343 23.9976 23.9976 24.6345 24.6345 k = 0.5000 0.2887 0.2122 ( 1270 PWs) bands (ev): 7.0068 7.0068 8.1394 8.1394 10.6847 10.6847 11.2878 11.2878 11.9626 11.9626 12.1959 12.1959 12.8826 12.8826 13.4734 13.4734 14.7655 14.7655 15.1183 15.1183 15.3434 15.3434 16.0998 16.0998 18.6707 18.6707 19.5188 19.5188 19.8937 19.8937 23.9395 23.9395 24.7425 24.7425 k = 0.5000 0.2887 0.2016 ( 1272 PWs) bands (ev): 6.9926 6.9926 8.1816 8.1816 10.6313 10.6313 11.2515 11.2515 11.9400 11.9400 12.1588 12.1588 12.9059 12.9059 13.4879 13.4879 14.8246 14.8246 15.1374 15.1374 15.3484 15.3484 16.1202 16.1202 18.7103 18.7103 19.6232 19.6232 19.7551 19.7551 23.8827 23.8827 24.8514 24.8514 k = 0.5000 0.2887 0.1910 ( 1272 PWs) bands (ev): 6.9790 6.9790 8.2239 8.2239 10.5790 10.5790 11.2168 11.2168 11.9171 11.9171 12.1216 12.1216 12.9287 12.9287 13.4986 13.4986 14.8869 14.8869 15.1554 15.1554 15.3568 15.3568 16.1391 16.1391 18.7497 18.7497 19.6074 19.6074 19.7407 19.7407 23.8280 23.8280 24.9606 24.9606 k = 0.5000 0.2887 0.1804 ( 1268 PWs) bands (ev): 6.9663 6.9663 8.2661 8.2661 10.5280 10.5280 11.1839 11.1839 11.8940 11.8940 12.0847 12.0847 12.9508 12.9508 13.5061 13.5061 14.9501 14.9501 15.1722 15.1722 15.3702 15.3702 16.1566 16.1566 18.7880 18.7880 19.4703 19.4703 19.8518 19.8518 23.7757 23.7757 25.0696 25.0696 k = 0.5000 0.2887 0.1697 ( 1260 PWs) bands (ev): 6.9543 6.9543 8.3080 8.3080 10.4784 10.4784 11.1527 11.1527 11.8712 11.8712 12.0482 12.0482 12.9722 12.9722 13.5111 13.5111 15.0112 15.0112 15.1877 15.1877 15.3909 15.3909 16.1731 16.1731 18.8239 18.8239 19.3334 19.3334 19.9674 19.9674 23.7258 23.7258 25.1782 25.1782 k = 0.5000 0.2887 0.1591 ( 1262 PWs) bands (ev): 6.9430 6.9430 8.3496 8.3496 10.4303 10.4303 11.1232 11.1232 11.8487 11.8487 12.0123 12.0123 12.9927 12.9927 13.5140 13.5140 15.0670 15.0670 15.2016 15.2016 15.4217 15.4217 16.1888 16.1888 18.8541 18.8541 19.2016 19.2016 20.0855 20.0855 23.6784 23.6784 25.2853 25.2853 k = 0.5000 0.2887 0.1485 ( 1262 PWs) bands (ev): 6.9325 6.9325 8.3905 8.3905 10.3838 10.3838 11.0955 11.0955 11.8269 11.8269 11.9772 11.9772 13.0122 13.0122 13.5153 13.5153 15.1140 15.1140 15.2139 15.2139 15.4652 15.4652 16.2043 16.2043 18.8663 18.8663 19.0868 19.0868 20.2053 20.2053 23.6337 23.6337 25.3453 25.3453 k = 0.5000 0.2887 0.1379 ( 1262 PWs) bands (ev): 6.9227 6.9227 8.4307 8.4307 10.3391 10.3391 11.0696 11.0696 11.8060 11.8060 11.9432 11.9432 13.0305 13.0305 13.5154 13.5154 15.1509 15.1509 15.2244 15.2244 15.5217 15.5217 16.2201 16.2201 18.8224 18.8224 19.0272 19.0272 20.3262 20.3262 23.5917 23.5917 25.2406 25.2406 k = 0.5000 0.2887 0.1273 ( 1266 PWs) bands (ev): 6.9137 6.9137 8.4699 8.4699 10.2962 10.2962 11.0455 11.0455 11.7860 11.7860 11.9106 11.9106 13.0476 13.0476 13.5147 13.5147 15.1787 15.1787 15.2333 15.2333 15.5892 15.5892 16.2371 16.2371 18.7155 18.7155 19.0295 19.0295 20.4474 20.4474 23.5524 23.5524 25.1297 25.1297 k = 0.5000 0.2887 0.1167 ( 1266 PWs) bands (ev): 6.9054 6.9054 8.5079 8.5079 10.2555 10.2555 11.0233 11.0233 11.7672 11.7672 11.8794 11.8794 13.0635 13.0635 13.5134 13.5134 15.1993 15.1993 15.2407 15.2407 15.6638 15.6638 16.2567 16.2567 18.5869 18.5869 19.0521 19.0521 20.5682 20.5682 23.5158 23.5158 25.0183 25.0183 k = 0.5000 0.2887 0.1061 ( 1264 PWs) bands (ev): 6.8978 6.8978 8.5443 8.5443 10.2170 10.2170 11.0029 11.0029 11.7498 11.7498 11.8500 11.8500 13.0781 13.0781 13.5118 13.5118 15.2148 15.2148 15.2472 15.2472 15.7411 15.7411 16.2806 16.2806 18.4527 18.4527 19.0789 19.0789 20.6874 20.6874 23.4818 23.4818 24.9077 24.9077 k = 0.5000 0.2887 0.0955 ( 1268 PWs) bands (ev): 6.8910 6.8910 8.5790 8.5790 10.1809 10.1809 10.9843 10.9843 11.7337 11.7337 11.8225 11.8225 13.0912 13.0912 13.5101 13.5101 15.2266 15.2266 15.2527 15.2527 15.8167 15.8167 16.3115 16.3115 18.3168 18.3168 19.1058 19.1058 20.8040 20.8040 23.4506 23.4506 24.7992 24.7992 k = 0.5000 0.2887 0.0849 ( 1272 PWs) bands (ev): 6.8848 6.8848 8.6115 8.6115 10.1475 10.1475 10.9677 10.9677 11.7193 11.7193 11.7972 11.7972 13.1030 13.1030 13.5084 13.5084 15.2358 15.2358 15.2576 15.2576 15.8859 15.8859 16.3527 16.3527 18.1807 18.1807 19.1314 19.1314 20.9167 20.9167 23.4222 23.4222 24.6942 24.6942 k = 0.5000 0.2887 0.0743 ( 1272 PWs) bands (ev): 6.8795 6.8795 8.6415 8.6415 10.1169 10.1169 10.9529 10.9529 11.7064 11.7064 11.7741 11.7741 13.1134 13.1134 13.5068 13.5068 15.2430 15.2430 15.2618 15.2618 15.9446 15.9446 16.4073 16.4073 18.0451 18.0451 19.1548 19.1548 21.0240 21.0240 23.3965 23.3965 24.5941 24.5941 k = 0.5000 0.2887 0.0637 ( 1270 PWs) bands (ev): 6.8748 6.8748 8.6687 8.6687 10.0896 10.0896 10.9401 10.9401 11.6954 11.6954 11.7536 11.7536 13.1223 13.1223 13.5054 13.5054 15.2488 15.2488 15.2653 15.2653 15.9907 15.9907 16.4770 16.4770 17.9103 17.9103 19.1758 19.1758 21.1240 21.1240 23.3735 23.3735 24.5009 24.5009 k = 0.5000 0.2887 0.0530 ( 1270 PWs) bands (ev): 6.8708 6.8708 8.6925 8.6925 10.0658 10.0658 10.9292 10.9292 11.6862 11.6862 11.7357 11.7357 13.1298 13.1298 13.5042 13.5042 15.2536 15.2536 15.2680 15.2680 16.0245 16.0245 16.5608 16.5608 17.7769 17.7769 19.1938 19.1938 21.2146 21.2146 23.3535 23.3535 24.4165 24.4165 k = 0.5000 0.2887 0.0424 ( 1274 PWs) bands (ev): 6.8676 6.8676 8.7127 8.7127 10.0457 10.0457 10.9203 10.9203 11.6788 11.6788 11.7205 11.7205 13.1359 13.1359 13.5032 13.5032 15.2576 15.2576 15.2700 15.2700 16.0480 16.0480 16.6560 16.6560 17.6452 17.6452 19.2089 19.2089 21.2937 21.2937 23.3364 23.3364 24.3431 24.3431 k = 0.5000 0.2887 0.0318 ( 1274 PWs) bands (ev): 6.8651 6.8651 8.7289 8.7289 10.0298 10.0298 10.9133 10.9133 11.6733 11.6733 11.7084 11.7084 13.1407 13.1407 13.5024 13.5024 15.2608 15.2608 15.2713 15.2713 16.0639 16.0639 16.7593 16.7593 17.5162 17.5162 19.2207 19.2207 21.3588 21.3588 23.3227 23.3227 24.2830 24.2830 k = 0.5000 0.2887 0.0212 ( 1270 PWs) bands (ev): 6.8633 6.8633 8.7408 8.7408 10.0182 10.0182 10.9083 10.9083 11.6696 11.6696 11.6994 11.6994 13.1440 13.1440 13.5019 13.5019 15.2633 15.2633 15.2719 15.2719 16.0739 16.0739 16.8669 16.8669 17.3913 17.3913 19.2293 19.2293 21.4074 21.4074 23.3125 23.3125 24.2383 24.2383 k = 0.5000 0.2887 0.0106 ( 1274 PWs) bands (ev): 6.8622 6.8622 8.7480 8.7480 10.0111 10.0111 10.9053 10.9053 11.6675 11.6675 11.6938 11.6938 13.1460 13.1460 13.5015 13.5015 15.2650 15.2650 15.2721 15.2721 16.0795 16.0795 16.9715 16.9715 17.2770 17.2770 19.2344 19.2344 21.4375 21.4375 23.3062 23.3062 24.2106 24.2106 k = 0.5000 0.2887-0.0000 ( 1270 PWs) bands (ev): 6.8619 6.8619 8.7504 8.7504 10.0087 10.0087 10.9043 10.9043 11.6669 11.6669 11.6918 11.6918 13.1467 13.1467 13.5014 13.5014 15.2656 15.2656 15.2721 15.2721 16.0813 16.0813 17.0327 17.0327 17.2126 17.2126 19.2362 19.2362 21.4478 21.4478 23.3041 23.3041 24.2013 24.2013 k = 0.3333 0.5774-0.0000 ( 1272 PWs) bands (ev): 7.1281 7.1281 9.5554 9.5554 10.5113 10.5113 10.7145 10.7145 11.2769 11.2769 11.8345 11.8345 12.3411 12.3411 13.4795 13.4795 13.9157 13.9157 15.6211 15.6211 16.1925 16.1925 16.7884 16.7884 17.1106 17.1106 19.1053 19.1053 23.1727 23.1727 24.0721 24.0721 24.4178 24.4178 k = 0.3333 0.5774 0.0106 ( 1266 PWs) bands (ev): 7.1287 7.1287 9.5531 9.5531 10.5102 10.5102 10.7135 10.7135 11.2797 11.2797 11.8361 11.8361 12.3406 12.3406 13.4831 13.4831 13.9176 13.9176 15.6204 15.6204 16.1915 16.1915 16.7680 16.7680 17.1303 17.1303 19.1056 19.1056 23.1748 23.1748 24.0537 24.0537 24.4022 24.4022 k = 0.3333 0.5774 0.0212 ( 1266 PWs) bands (ev): 7.1306 7.1306 9.5460 9.5460 10.5071 10.5071 10.7108 10.7108 11.2880 11.2880 11.8409 11.8409 12.3391 12.3391 13.4936 13.4936 13.9233 13.9233 15.6182 15.6182 16.1887 16.1887 16.7173 16.7173 17.1789 17.1789 19.1065 19.1065 23.1808 23.1808 24.0002 24.0002 24.3562 24.3562 k = 0.3333 0.5774 0.0318 ( 1269 PWs) bands (ev): 7.1337 7.1337 9.5342 9.5342 10.5019 10.5019 10.7063 10.7063 11.3017 11.3017 11.8489 11.8489 12.3369 12.3369 13.5108 13.5108 13.9328 13.9328 15.6145 15.6145 16.1840 16.1840 16.6510 16.6510 17.2418 17.2418 19.1080 19.1080 23.1909 23.1909 23.9160 23.9160 24.2831 24.2831 k = 0.3333 0.5774 0.0424 ( 1263 PWs) bands (ev): 7.1380 7.1380 9.5181 9.5181 10.4948 10.4948 10.7001 10.7001 11.3204 11.3204 11.8600 11.8600 12.3343 12.3343 13.5345 13.5345 13.9460 13.9460 15.6093 15.6093 16.1775 16.1775 16.5772 16.5772 17.3108 17.3108 19.1101 19.1101 23.2049 23.2049 23.8069 23.8069 24.1870 24.1870 k = 0.3333 0.5774 0.0530 ( 1269 PWs) bands (ev): 7.1436 7.1436 9.4978 9.4978 10.4858 10.4858 10.6922 10.6922 11.3438 11.3438 11.8741 11.8741 12.3316 12.3316 13.5642 13.5642 13.9629 13.9629 15.6027 15.6027 16.1691 16.1691 16.4995 16.4995 17.3824 17.3824 19.1128 19.1128 23.2227 23.2227 23.6785 23.6785 24.0723 24.0723 k = 0.3333 0.5774 0.0637 ( 1269 PWs) bands (ev): 7.1504 7.1504 9.4737 9.4737 10.4750 10.4750 10.6829 10.6829 11.3716 11.3716 11.8913 11.8913 12.3292 12.3292 13.5993 13.5993 13.9832 13.9832 15.5946 15.5946 16.1589 16.1589 16.4196 16.4196 17.4548 17.4548 19.1162 19.1162 23.2441 23.2441 23.5356 23.5356 23.9433 23.9433 k = 0.3333 0.5774 0.0743 ( 1266 PWs) bands (ev): 7.1585 7.1585 9.4461 9.4461 10.4627 10.4627 10.6722 10.6722 11.4033 11.4033 11.9114 11.9114 12.3275 12.3275 13.6394 13.6394 14.0069 14.0069 15.5850 15.5850 16.1469 16.1469 16.3385 16.3385 17.5270 17.5270 19.1201 19.1201 23.2687 23.2687 23.3821 23.3821 23.8038 23.8038 k = 0.3333 0.5774 0.0849 ( 1266 PWs) bands (ev): 7.1678 7.1678 9.4153 9.4153 10.4488 10.4488 10.6601 10.6601 11.4386 11.4386 11.9344 11.9344 12.3270 12.3270 13.6838 13.6838 14.0338 14.0338 15.5740 15.5740 16.1332 16.1332 16.2569 16.2569 17.5985 17.5985 19.1247 19.1247 23.2209 23.2209 23.2950 23.2950 23.6581 23.6581 k = 0.3333 0.5774 0.0955 ( 1266 PWs) bands (ev): 7.1783 7.1783 9.3817 9.3817 10.4337 10.4337 10.6467 10.6467 11.4771 11.4771 11.9602 11.9602 12.3279 12.3279 13.7321 13.7321 14.0637 14.0637 15.5616 15.5616 16.1177 16.1177 16.1751 16.1751 17.6689 17.6689 19.1300 19.1300 23.0545 23.0545 23.3163 23.3163 23.5151 23.5151 k = 0.3333 0.5774 0.1061 ( 1266 PWs) bands (ev): 7.1900 7.1900 9.3456 9.3456 10.4174 10.4174 10.6322 10.6322 11.5183 11.5183 11.9886 11.9886 12.3306 12.3306 13.7836 13.7836 14.0964 14.0964 15.5477 15.5477 16.0935 16.0935 16.1006 16.1006 17.7379 17.7379 19.1360 19.1360 22.8845 22.8845 23.2819 23.2819 23.4272 23.4272 k = 0.3333 0.5774 0.1167 ( 1266 PWs) bands (ev): 7.2029 7.2029 9.3073 9.3073 10.4001 10.4001 10.6166 10.6166 11.5621 11.5621 12.0196 12.0196 12.3354 12.3354 13.8379 13.8379 14.1318 14.1318 15.5324 15.5324 16.0124 16.0124 16.0818 16.0818 17.8053 17.8053 19.1426 19.1426 22.7124 22.7124 23.1473 23.1473 23.4404 23.4404 k = 0.3333 0.5774 0.1273 ( 1266 PWs) bands (ev): 7.2170 7.2170 9.2671 9.2671 10.3820 10.3820 10.6001 10.6001 11.6081 11.6081 12.0531 12.0531 12.3423 12.3423 13.8943 13.8943 14.1695 14.1695 15.5157 15.5157 15.9322 15.9322 16.0615 16.0615 17.8708 17.8708 19.1499 19.1499 22.5392 22.5392 22.9885 22.9885 23.4797 23.4797 k = 0.3333 0.5774 0.1379 ( 1275 PWs) bands (ev): 7.2323 7.2323 9.2252 9.2252 10.3632 10.3632 10.5827 10.5827 11.6560 11.6560 12.0889 12.0889 12.3515 12.3515 13.9524 13.9524 14.2094 14.2094 15.4975 15.4975 15.8532 15.8532 16.0398 16.0398 17.9342 17.9342 19.1580 19.1580 22.3658 22.3658 22.8248 22.8248 23.5270 23.5270 k = 0.3333 0.5774 0.1485 ( 1275 PWs) bands (ev): 7.2488 7.2488 9.1819 9.1819 10.3439 10.3439 10.5645 10.5645 11.7057 11.7057 12.1269 12.1269 12.3632 12.3632 14.0114 14.0114 14.2511 14.2511 15.4778 15.4778 15.7760 15.7760 16.0168 16.0168 17.9954 17.9954 19.1668 19.1668 22.1931 22.1931 22.6596 22.6596 23.5794 23.5794 k = 0.3333 0.5774 0.1591 ( 1269 PWs) bands (ev): 7.2665 7.2665 9.1375 9.1375 10.3243 10.3243 10.5457 10.5457 11.7568 11.7568 12.1671 12.1671 12.3772 12.3772 14.0708 14.0708 14.2944 14.2944 15.4565 15.4565 15.7011 15.7011 15.9925 15.9925 18.0543 18.0543 19.1763 19.1763 22.0216 22.0216 22.4945 22.4945 23.6363 23.6363 k = 0.3333 0.5774 0.1697 ( 1269 PWs) bands (ev): 7.2854 7.2854 9.0921 9.0921 10.3045 10.3045 10.5264 10.5264 11.8092 11.8092 12.2093 12.2093 12.3936 12.3936 14.1297 14.1297 14.3389 14.3389 15.4334 15.4334 15.6294 15.6294 15.9672 15.9672 18.1106 18.1106 19.1865 19.1865 21.8518 21.8518 22.3304 22.3304 23.6970 23.6970 k = 0.3333 0.5774 0.1804 ( 1269 PWs) bands (ev): 7.3053 7.3053 9.0458 9.0458 10.2846 10.2846 10.5068 10.5068 11.8626 11.8626 12.2534 12.2534 12.4123 12.4123 14.1871 14.1871 14.3843 14.3843 15.4081 15.4081 15.5621 15.5621 15.9410 15.9410 18.1642 18.1642 19.1975 19.1975 21.6843 21.6843 22.1679 22.1679 23.7616 23.7616 k = 0.3333 0.5774 0.1910 ( 1275 PWs) bands (ev): 7.3265 7.3265 8.9988 8.9988 10.2647 10.2647 10.4869 10.4869 11.9170 11.9170 12.2991 12.2991 12.4333 12.4333 14.2420 14.2420 14.4302 14.4302 15.3796 15.3796 15.5010 15.5010 15.9142 15.9142 18.2150 18.2150 19.2091 19.2091 21.5195 21.5195 22.0076 22.0076 23.8298 23.8298 k = 0.3333 0.5774 0.2016 ( 1263 PWs) bands (ev): 7.3488 7.3488 8.9514 8.9514 10.2451 10.2451 10.4670 10.4670 11.9721 11.9721 12.3464 12.3464 12.4563 12.4563 14.2930 14.2930 14.4762 14.4762 15.3472 15.3472 15.4486 15.4486 15.8871 15.8871 18.2628 18.2628 19.2215 19.2215 21.3579 21.3579 21.8502 21.8502 23.9017 23.9017 k = 0.3333 0.5774 0.2122 ( 1266 PWs) bands (ev): 7.3722 7.3722 8.9035 8.9035 10.2257 10.2257 10.4471 10.4471 12.0278 12.0278 12.3950 12.3950 12.4814 12.4814 14.3381 14.3381 14.5219 14.5219 15.3109 15.3109 15.4061 15.4061 15.8598 15.8598 18.3075 18.3075 19.2346 19.2346 21.1998 21.1998 21.6959 21.6959 23.9772 23.9772 k = 0.3333 0.5774 0.2228 ( 1266 PWs) bands (ev): 7.3967 7.3967 8.8553 8.8553 10.2067 10.2067 10.4274 10.4274 12.0838 12.0838 12.4448 12.4448 12.5082 12.5082 14.3753 14.3753 14.5666 14.5666 15.2738 15.2738 15.3727 15.3727 15.8329 15.8329 18.3490 18.3490 19.2482 19.2482 21.0457 21.0457 21.5454 21.5454 24.0562 24.0562 k = 0.3333 0.5774 0.2334 ( 1266 PWs) bands (ev): 7.4222 7.4222 8.8070 8.8070 10.1883 10.1883 10.4080 10.4080 12.1400 12.1400 12.4956 12.4956 12.5367 12.5367 14.4021 14.4021 14.6100 14.6100 15.2401 15.2401 15.3465 15.3465 15.8068 15.8068 18.3872 18.3872 19.2624 19.2624 20.8960 20.8960 21.3991 21.3991 24.1386 24.1386 k = 0.3333 0.5774 0.2440 ( 1272 PWs) bands (ev): 7.4489 7.4489 8.7585 8.7585 10.1704 10.1704 10.3891 10.3891 12.1962 12.1962 12.5470 12.5470 12.5668 12.5668 14.4164 14.4164 14.6512 14.6512 15.2125 15.2125 15.3270 15.3270 15.7819 15.7819 18.4220 18.4220 19.2771 19.2771 20.7511 20.7511 21.2574 21.2574 24.2244 24.2244 k = 0.3333 0.5774 0.2546 ( 1272 PWs) bands (ev): 7.4765 7.4765 8.7101 8.7101 10.1532 10.1532 10.3708 10.3708 12.2520 12.2520 12.5981 12.5981 12.5988 12.5988 14.4169 14.4169 14.6897 14.6897 15.1905 15.1905 15.3158 15.3158 15.7589 15.7589 18.4533 18.4533 19.2922 19.2922 20.6113 20.6113 21.1209 21.1209 24.3136 24.3136 k = 0.3333 0.5774 0.2652 ( 1272 PWs) bands (ev): 7.5052 7.5052 8.6617 8.6617 10.1368 10.1368 10.3532 10.3532 12.3074 12.3074 12.6307 12.6307 12.6508 12.6508 14.4035 14.4035 14.7247 14.7247 15.1716 15.1716 15.3153 15.3153 15.7382 15.7382 18.4811 18.4811 19.3076 19.3076 20.4770 20.4770 20.9900 20.9900 24.4061 24.4061 k = 0.3333 0.5774 0.2758 ( 1272 PWs) bands (ev): 7.5349 7.5349 8.6135 8.6135 10.1212 10.1212 10.3363 10.3363 12.3618 12.3618 12.6644 12.6644 12.7026 12.7026 14.3779 14.3779 14.7556 14.7556 15.1528 15.1528 15.3271 15.3271 15.7207 15.7207 18.5055 18.5055 19.3232 19.3232 20.3488 20.3488 20.8652 20.8652 24.5019 24.5019 k = 0.3333 0.5774 0.2864 ( 1272 PWs) bands (ev): 7.5656 7.5656 8.5656 8.5656 10.1065 10.1065 10.3203 10.3203 12.4149 12.4149 12.6990 12.6990 12.7537 12.7537 14.3423 14.3423 14.7816 14.7816 15.1327 15.1327 15.3501 15.3501 15.7067 15.7067 18.5264 18.5264 19.3388 19.3388 20.2271 20.2271 20.7470 20.7470 24.6009 24.6009 k = 0.3333 0.5774 0.2971 ( 1272 PWs) bands (ev): 7.5972 7.5972 8.5179 8.5179 10.0928 10.0928 10.3053 10.3053 12.4662 12.4662 12.7345 12.7345 12.8039 12.8039 14.2994 14.2994 14.8024 14.8024 15.1114 15.1114 15.3815 15.3815 15.6967 15.6967 18.5439 18.5439 19.3542 19.3542 20.1123 20.1123 20.6359 20.6359 24.7030 24.7030 k = 0.3333 0.5774 0.3077 ( 1272 PWs) bands (ev): 7.6298 7.6298 8.4706 8.4706 10.0801 10.0801 10.2914 10.2914 12.5152 12.5152 12.7708 12.7708 12.8527 12.8527 14.2516 14.2516 14.8177 14.8177 15.0897 15.0897 15.4184 15.4184 15.6910 15.6910 18.5582 18.5582 19.3694 19.3694 20.0050 20.0050 20.5323 20.5323 24.8083 24.8083 k = 0.3333 0.5774 0.3183 ( 1278 PWs) bands (ev): 7.6632 7.6632 8.4237 8.4237 10.0685 10.0685 10.2786 10.2786 12.5613 12.5613 12.8079 12.8079 12.8995 12.8995 14.2008 14.2008 14.8275 14.8275 15.0682 15.0682 15.4581 15.4581 15.6894 15.6894 18.5694 18.5694 19.3842 19.3842 19.9055 19.9055 20.4368 20.4368 24.9166 24.9166 k = 0.3333 0.5774 0.3289 ( 1278 PWs) bands (ev): 7.6974 7.6974 8.3775 8.3775 10.0580 10.0580 10.2669 10.2669 12.6038 12.6038 12.8455 12.8455 12.9439 12.9439 14.1487 14.1487 14.8322 14.8322 15.0475 15.0475 15.4984 15.4984 15.6915 15.6915 18.5777 18.5777 19.3984 19.3984 19.8146 19.8146 20.3499 20.3499 25.0279 25.0279 k = 0.3333 0.5774 0.3395 ( 1278 PWs) bands (ev): 7.7323 7.7323 8.3318 8.3318 10.0486 10.0486 10.2565 10.2565 12.6421 12.6421 12.8833 12.8833 12.9851 12.9851 14.0970 14.0970 14.8327 14.8327 15.0281 15.0281 15.5377 15.5377 15.6967 15.6967 18.5835 18.5835 19.4119 19.4119 19.7327 19.7327 20.2719 20.2719 25.1422 25.1422 k = 0.3333 0.5774 0.3501 ( 1278 PWs) bands (ev): 7.7679 7.7679 8.2869 8.2869 10.0404 10.0404 10.2474 10.2474 12.6758 12.6758 12.9207 12.9207 13.0227 13.0227 14.0469 14.0469 14.8300 14.8300 15.0103 15.0103 15.5746 15.5746 15.7039 15.7039 18.5872 18.5872 19.4244 19.4244 19.6603 19.6603 20.2034 20.2034 25.2592 25.2592 k = 0.3333 0.5774 0.3607 ( 1284 PWs) bands (ev): 7.8039 7.8039 8.2430 8.2430 10.0334 10.0334 10.2396 10.2396 12.7046 12.7046 12.9567 12.9567 13.0560 13.0560 13.9999 13.9999 14.8250 14.8250 14.9947 14.9947 15.6077 15.6077 15.7123 15.7123 18.5891 18.5891 19.4357 19.4357 19.5980 19.5980 20.1445 20.1445 25.3789 25.3789 k = 0.3333 0.5774 0.3713 ( 1284 PWs) bands (ev): 7.8400 7.8400 8.2004 8.2004 10.0277 10.0277 10.2332 10.2332 12.7283 12.7283 12.9900 12.9900 13.0843 13.0843 13.9576 13.9576 14.8191 14.8191 14.9814 14.9814 15.6363 15.6363 15.7207 15.7207 18.5897 18.5897 19.4455 19.4455 19.5462 19.5462 20.0957 20.0957 25.5010 25.5010 k = 0.3333 0.5774 0.3819 ( 1278 PWs) bands (ev): 7.8756 7.8756 8.1597 8.1597 10.0232 10.0232 10.2282 10.2282 12.7467 12.7467 13.0189 13.0189 13.1070 13.1070 13.9218 13.9218 14.8131 14.8131 14.9708 14.9708 15.6594 15.6594 15.7283 15.7283 18.5896 18.5896 19.4537 19.4537 19.5055 19.5055 20.0574 20.0574 25.6250 25.6250 k = 0.3333 0.5774 0.3925 ( 1284 PWs) bands (ev): 7.9092 7.9092 8.1225 8.1225 10.0200 10.0200 10.2246 10.2246 12.7599 12.7599 13.0415 13.0415 13.1237 13.1237 13.8943 13.8943 14.8082 14.8082 14.9630 14.9630 15.6763 15.6763 15.7343 15.7343 18.5891 18.5891 19.4597 19.4597 19.4761 19.4761 20.0297 20.0297 25.7494 25.7494 k = 0.3333 0.5774 0.4031 ( 1284 PWs) bands (ev): 7.9367 7.9367 8.0927 8.0927 10.0180 10.0180 10.2224 10.2224 12.7678 12.7678 13.0560 13.0560 13.1338 13.1338 13.8769 13.8769 14.8049 14.8049 14.9583 14.9583 15.6867 15.6867 15.7382 15.7382 18.5887 18.5887 19.4583 19.4583 19.4635 19.4635 20.0130 20.0130 25.8686 25.8686 k = 0.3333 0.5774 0.4138 ( 1290 PWs) bands (ev): 7.9486 7.9486 8.0801 8.0801 10.0174 10.0174 10.2217 10.2217 12.7704 12.7704 13.0610 13.0610 13.1373 13.1373 13.8709 13.8709 14.8038 14.8038 14.9567 14.9567 15.6902 15.6902 15.7395 15.7395 18.5885 18.5885 19.4523 19.4523 19.4648 19.4648 20.0074 20.0074 25.9399 25.9399 Writing output data file BPt.save init_run : 0.14s CPU 0.58s WALL ( 1 calls) electrons : 85.01s CPU 89.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 85.00s CPU 89.93s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 426 calls) cegterg : 77.42s CPU 79.28s WALL ( 663 calls) Called by sum_band: Called by *egterg: h_psi : 34.04s CPU 35.18s WALL ( 10953 calls) s_psi : 2.95s CPU 2.96s WALL ( 10953 calls) g_psi : 0.09s CPU 0.09s WALL ( 9864 calls) cdiaghg : 38.56s CPU 39.25s WALL ( 10290 calls) cegterg:over : 2.36s CPU 2.52s WALL ( 9864 calls) cegterg:upda : 1.73s CPU 1.66s WALL ( 9864 calls) cegterg:last : 0.98s CPU 0.99s WALL ( 1950 calls) cdiaghg:chol : 1.90s CPU 1.95s WALL ( 10290 calls) cdiaghg:inve : 0.82s CPU 0.90s WALL ( 10290 calls) cdiaghg:para : 2.40s CPU 2.39s WALL ( 20580 calls) Called by h_psi: h_psi:vloc : 28.66s CPU 29.65s WALL ( 10953 calls) h_psi:vnl : 5.35s CPU 5.49s WALL ( 10953 calls) add_vuspsi : 2.84s CPU 2.92s WALL ( 10953 calls) General routines calbec : 2.47s CPU 2.54s WALL ( 10953 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.44s CPU 27.20s WALL ( 834752 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.14s WALL ( 852 calls) Parallel routines fft_scatter : 14.68s CPU 14.99s WALL ( 834775 calls) PWSCF : 1m34.30s CPU 2m17.41s WALL This run was terminated on: 15:46:29 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=