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 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.5 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.1 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 8.9 secs Computing kpt #: 18 total cpu time spent up to now is 9.1 secs Computing kpt #: 19 total cpu time spent up to now is 9.3 secs Computing kpt #: 20 total cpu time spent up to now is 9.5 secs Computing kpt #: 21 total cpu time spent up to now is 9.8 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.2 secs Computing kpt #: 24 total cpu time spent up to now is 10.4 secs Computing kpt #: 25 total cpu time spent up to now is 10.6 secs Computing kpt #: 26 total cpu time spent up to now is 10.8 secs Computing kpt #: 27 total cpu time spent up to now is 11.0 secs Computing kpt #: 28 total cpu time spent up to now is 11.2 secs Computing kpt #: 29 total cpu time spent up to now is 11.5 secs Computing kpt #: 30 total cpu time spent up to now is 11.8 secs Computing kpt #: 31 total cpu time spent up to now is 12.0 secs Computing kpt #: 32 total cpu time spent up to now is 12.2 secs Computing kpt #: 33 total cpu time spent up to now is 12.5 secs Computing kpt #: 34 total cpu time spent up to now is 12.7 secs Computing kpt #: 35 total cpu time spent up to now is 12.9 secs Computing kpt #: 36 total cpu time spent up to now is 13.1 secs Computing kpt #: 37 total cpu time spent up to now is 13.4 secs Computing kpt #: 38 total cpu time spent up to now is 13.6 secs Computing kpt #: 39 total cpu time spent up to now is 13.8 secs Computing kpt #: 40 total cpu time spent up to now is 14.0 secs Computing kpt #: 41 total cpu time spent up to now is 14.2 secs Computing kpt #: 42 total cpu time spent up to now is 14.4 secs Computing kpt #: 43 total cpu time spent up to now is 14.7 secs Computing kpt #: 44 total cpu time spent up to now is 14.9 secs Computing kpt #: 45 total cpu time spent up to now is 15.1 secs Computing kpt #: 46 total cpu time spent up to now is 15.3 secs Computing kpt #: 47 total cpu time spent up to now is 15.5 secs Computing kpt #: 48 total cpu time spent up to now is 15.7 secs Computing kpt #: 49 total cpu time spent up to now is 15.9 secs Computing kpt #: 50 total cpu time spent up to now is 16.1 secs Computing kpt #: 51 total cpu time spent up to now is 16.3 secs Computing kpt #: 52 total cpu time spent up to now is 16.5 secs Computing kpt #: 53 total cpu time spent up to now is 16.7 secs Computing kpt #: 54 total cpu time spent up to now is 16.9 secs Computing kpt #: 55 total cpu time spent up to now is 17.1 secs Computing kpt #: 56 total cpu time spent up to now is 17.3 secs Computing kpt #: 57 total cpu time spent up to now is 17.5 secs Computing kpt #: 58 total cpu time spent up to now is 17.7 secs Computing kpt #: 59 total cpu time spent up to now is 17.9 secs Computing kpt #: 60 total cpu time spent up to now is 18.1 secs Computing kpt #: 61 total cpu time spent up to now is 18.4 secs Computing kpt #: 62 total cpu time spent up to now is 18.6 secs Computing kpt #: 63 total cpu time spent up to now is 18.8 secs Computing kpt #: 64 total cpu time spent up to now is 19.0 secs Computing kpt #: 65 total cpu time spent up to now is 19.2 secs Computing kpt #: 66 total cpu time spent up to now is 19.4 secs Computing kpt #: 67 total cpu time spent up to now is 19.6 secs Computing kpt #: 68 total cpu time spent up to now is 19.8 secs Computing kpt #: 69 total cpu time spent up to now is 19.9 secs Computing kpt #: 70 total cpu time spent up to now is 20.1 secs Computing kpt #: 71 total cpu time spent up to now is 20.3 secs Computing kpt #: 72 total cpu time spent up to now is 20.5 secs Computing kpt #: 73 total cpu time spent up to now is 20.6 secs Computing kpt #: 74 total cpu time spent up to now is 20.8 secs Computing kpt #: 75 total cpu time spent up to now is 21.0 secs Computing kpt #: 76 total cpu time spent up to now is 21.2 secs Computing kpt #: 77 total cpu time spent up to now is 21.4 secs Computing kpt #: 78 total cpu time spent up to now is 21.5 secs Computing kpt #: 79 total cpu time spent up to now is 21.7 secs Computing kpt #: 80 total cpu time spent up to now is 21.9 secs Computing kpt #: 81 total cpu time spent up to now is 22.1 secs Computing kpt #: 82 total cpu time spent up to now is 22.3 secs Computing kpt #: 83 total cpu time spent up to now is 22.5 secs Computing kpt #: 84 total cpu time spent up to now is 22.7 secs Computing kpt #: 85 total cpu time spent up to now is 22.9 secs Computing kpt #: 86 total cpu time spent up to now is 23.1 secs Computing kpt #: 87 total cpu time spent up to now is 23.3 secs Computing kpt #: 88 total cpu time spent up to now is 23.5 secs Computing kpt #: 89 total cpu time spent up to now is 23.8 secs Computing kpt #: 90 total cpu time spent up to now is 24.0 secs Computing kpt #: 91 total cpu time spent up to now is 24.2 secs Computing kpt #: 92 total cpu time spent up to now is 24.4 secs Computing kpt #: 93 total cpu time spent up to now is 24.6 secs Computing kpt #: 94 total cpu time spent up to now is 24.8 secs Computing kpt #: 95 total cpu time spent up to now is 25.0 secs Computing kpt #: 96 total cpu time spent up to now is 25.2 secs Computing kpt #: 97 total cpu time spent up to now is 25.4 secs Computing kpt #: 98 total cpu time spent up to now is 25.7 secs Computing kpt #: 99 total cpu time spent up to now is 25.9 secs Computing kpt #: 100 total cpu time spent up to now is 26.1 secs Computing kpt #: 101 total cpu time spent up to now is 26.3 secs Computing kpt #: 102 total cpu time spent up to now is 26.5 secs Computing kpt #: 103 total cpu time spent up to now is 26.8 secs Computing kpt #: 104 total cpu time spent up to now is 27.0 secs Computing kpt #: 105 total cpu time spent up to now is 27.2 secs Computing kpt #: 106 total cpu time spent up to now is 27.4 secs Computing kpt #: 107 total cpu time spent up to now is 27.7 secs Computing kpt #: 108 total cpu time spent up to now is 27.9 secs Computing kpt #: 109 total cpu time spent up to now is 28.1 secs Computing kpt #: 110 total cpu time spent up to now is 28.3 secs Computing kpt #: 111 total cpu time spent up to now is 28.5 secs Computing kpt #: 112 total cpu time spent up to now is 28.7 secs Computing kpt #: 113 total cpu time spent up to now is 28.9 secs Computing kpt #: 114 total cpu time spent up to now is 29.2 secs Computing kpt #: 115 total cpu time spent up to now is 29.4 secs Computing kpt #: 116 total cpu time spent up to now is 29.6 secs Computing kpt #: 117 total cpu time spent up to now is 29.8 secs Computing kpt #: 118 total cpu time spent up to now is 30.1 secs Computing kpt #: 119 total cpu time spent up to now is 30.3 secs Computing kpt #: 120 total cpu time spent up to now is 30.5 secs Computing kpt #: 121 total cpu time spent up to now is 30.7 secs Computing kpt #: 122 total cpu time spent up to now is 31.0 secs Computing kpt #: 123 total cpu time spent up to now is 31.2 secs Computing kpt #: 124 total cpu time spent up to now is 31.4 secs Computing kpt #: 125 total cpu time spent up to now is 31.6 secs Computing kpt #: 126 total cpu time spent up to now is 31.9 secs Computing kpt #: 127 total cpu time spent up to now is 32.1 secs Computing kpt #: 128 total cpu time spent up to now is 32.3 secs Computing kpt #: 129 total cpu time spent up to now is 32.5 secs Computing kpt #: 130 total cpu time spent up to now is 32.8 secs Computing kpt #: 131 total cpu time spent up to now is 33.0 secs Computing kpt #: 132 total cpu time spent up to now is 33.2 secs Computing kpt #: 133 total cpu time spent up to now is 33.4 secs Computing kpt #: 134 total cpu time spent up to now is 33.6 secs Computing kpt #: 135 total cpu time spent up to now is 33.9 secs Computing kpt #: 136 total cpu time spent up to now is 34.1 secs Computing kpt #: 137 total cpu time spent up to now is 34.3 secs Computing kpt #: 138 total cpu time spent up to now is 34.6 secs Computing kpt #: 139 total cpu time spent up to now is 34.8 secs Computing kpt #: 140 total cpu time spent up to now is 35.0 secs Computing kpt #: 141 total cpu time spent up to now is 35.3 secs Computing kpt #: 142 total cpu time spent up to now is 35.6 secs Computing kpt #: 143 total cpu time spent up to now is 35.8 secs Computing kpt #: 144 total cpu time spent up to now is 36.2 secs Computing kpt #: 145 total cpu time spent up to now is 36.5 secs Computing kpt #: 146 total cpu time spent up to now is 36.8 secs Computing kpt #: 147 total cpu time spent up to now is 37.2 secs Computing kpt #: 148 total cpu time spent up to now is 37.6 secs Computing kpt #: 149 total cpu time spent up to now is 38.1 secs Computing kpt #: 150 total cpu time spent up to now is 38.5 secs Computing kpt #: 151 total cpu time spent up to now is 38.9 secs Computing kpt #: 152 total cpu time spent up to now is 39.2 secs Computing kpt #: 153 total cpu time spent up to now is 39.4 secs Computing kpt #: 154 total cpu time spent up to now is 39.7 secs Computing kpt #: 155 total cpu time spent up to now is 40.0 secs Computing kpt #: 156 total cpu time spent up to now is 40.2 secs Computing kpt #: 157 total cpu time spent up to now is 40.4 secs Computing kpt #: 158 total cpu time spent up to now is 40.6 secs Computing kpt #: 159 total cpu time spent up to now is 40.8 secs Computing kpt #: 160 total cpu time spent up to now is 41.0 secs Computing kpt #: 161 total cpu time spent up to now is 41.2 secs Computing kpt #: 162 total cpu time spent up to now is 41.5 secs Computing kpt #: 163 total cpu time spent up to now is 41.7 secs Computing kpt #: 164 total cpu time spent up to now is 41.9 secs Computing kpt #: 165 total cpu time spent up to now is 42.1 secs Computing kpt #: 166 total cpu time spent up to now is 42.3 secs Computing kpt #: 167 total cpu time spent up to now is 42.5 secs Computing kpt #: 168 total cpu time spent up to now is 42.7 secs Computing kpt #: 169 total cpu time spent up to now is 42.9 secs Computing kpt #: 170 total cpu time spent up to now is 43.1 secs Computing kpt #: 171 total cpu time spent up to now is 43.3 secs Computing kpt #: 172 total cpu time spent up to now is 43.5 secs Computing kpt #: 173 total cpu time spent up to now is 43.7 secs Computing kpt #: 174 total cpu time spent up to now is 43.9 secs Computing kpt #: 175 total cpu time spent up to now is 44.1 secs Computing kpt #: 176 total cpu time spent up to now is 44.3 secs Computing kpt #: 177 total cpu time spent up to now is 44.6 secs Computing kpt #: 178 total cpu time spent up to now is 44.7 secs Computing kpt #: 179 total cpu time spent up to now is 45.0 secs Computing kpt #: 180 total cpu time spent up to now is 45.2 secs Computing kpt #: 181 total cpu time spent up to now is 45.4 secs Computing kpt #: 182 total cpu time spent up to now is 45.6 secs Computing kpt #: 183 total cpu time spent up to now is 45.8 secs Computing kpt #: 184 total cpu time spent up to now is 46.0 secs Computing kpt #: 185 total cpu time spent up to now is 46.2 secs Computing kpt #: 186 total cpu time spent up to now is 46.4 secs Computing kpt #: 187 total cpu time spent up to now is 46.6 secs Computing kpt #: 188 total cpu time spent up to now is 46.9 secs Computing kpt #: 189 total cpu time spent up to now is 47.1 secs Computing kpt #: 190 total cpu time spent up to now is 47.3 secs Computing kpt #: 191 total cpu time spent up to now is 47.5 secs Computing kpt #: 192 total cpu time spent up to now is 47.7 secs Computing kpt #: 193 total cpu time spent up to now is 48.0 secs Computing kpt #: 194 total cpu time spent up to now is 48.2 secs Computing kpt #: 195 total cpu time spent up to now is 48.4 secs Computing kpt #: 196 total cpu time spent up to now is 48.6 secs Computing kpt #: 197 total cpu time spent up to now is 48.8 secs Computing kpt #: 198 total cpu time spent up to now is 49.1 secs Computing kpt #: 199 total cpu time spent up to now is 49.3 secs Computing kpt #: 200 total cpu time spent up to now is 49.5 secs Computing kpt #: 201 total cpu time spent up to now is 49.7 secs Computing kpt #: 202 total cpu time spent up to now is 49.9 secs Computing kpt #: 203 total cpu time spent up to now is 50.1 secs Computing kpt #: 204 total cpu time spent up to now is 50.3 secs Computing kpt #: 205 total cpu time spent up to now is 50.6 secs Computing kpt #: 206 total cpu time spent up to now is 50.8 secs Computing kpt #: 207 total cpu time spent up to now is 51.0 secs Computing kpt #: 208 total cpu time spent up to now is 51.2 secs Computing kpt #: 209 total cpu time spent up to now is 51.4 secs Computing kpt #: 210 total cpu time spent up to now is 51.6 secs Computing kpt #: 211 total cpu time spent up to now is 51.8 secs Computing kpt #: 212 total cpu time spent up to now is 52.0 secs Computing kpt #: 213 total cpu time spent up to now is 52.2 secs Computing kpt #: 214 total cpu time spent up to now is 52.4 secs Computing kpt #: 215 total cpu time spent up to now is 52.6 secs Computing kpt #: 216 total cpu time spent up to now is 52.7 secs Computing kpt #: 217 total cpu time spent up to now is 53.0 secs Computing kpt #: 218 total cpu time spent up to now is 53.2 secs Computing kpt #: 219 total cpu time spent up to now is 53.4 secs Computing kpt #: 220 total cpu time spent up to now is 53.6 secs Computing kpt #: 221 total cpu time spent up to now is 53.8 secs Computing kpt #: 222 total cpu time spent up to now is 54.0 secs Computing kpt #: 223 total cpu time spent up to now is 54.2 secs Computing kpt #: 224 total cpu time spent up to now is 54.4 secs Computing kpt #: 225 total cpu time spent up to now is 54.6 secs Computing kpt #: 226 total cpu time spent up to now is 54.8 secs Computing kpt #: 227 total cpu time spent up to now is 54.9 secs Computing kpt #: 228 total cpu time spent up to now is 55.1 secs Computing kpt #: 229 total cpu time spent up to now is 55.3 secs Computing kpt #: 230 total cpu time spent up to now is 55.5 secs Computing kpt #: 231 total cpu time spent up to now is 55.6 secs Computing kpt #: 232 total cpu time spent up to now is 55.8 secs Computing kpt #: 233 total cpu time spent up to now is 55.9 secs Computing kpt #: 234 total cpu time spent up to now is 56.1 secs Computing kpt #: 235 total cpu time spent up to now is 56.3 secs Computing kpt #: 236 total cpu time spent up to now is 56.4 secs Computing kpt #: 237 total cpu time spent up to now is 56.6 secs Computing kpt #: 238 total cpu time spent up to now is 56.7 secs Computing kpt #: 239 total cpu time spent up to now is 56.9 secs Computing kpt #: 240 total cpu time spent up to now is 57.0 secs Computing kpt #: 241 total cpu time spent up to now is 57.2 secs Computing kpt #: 242 total cpu time spent up to now is 57.3 secs Computing kpt #: 243 total cpu time spent up to now is 57.5 secs Computing kpt #: 244 total cpu time spent up to now is 57.6 secs Computing kpt #: 245 total cpu time spent up to now is 57.8 secs Computing kpt #: 246 total cpu time spent up to now is 58.0 secs Computing kpt #: 247 total cpu time spent up to now is 58.1 secs Computing kpt #: 248 total cpu time spent up to now is 58.3 secs Computing kpt #: 249 total cpu time spent up to now is 58.4 secs Computing kpt #: 250 total cpu time spent up to now is 58.6 secs Computing kpt #: 251 total cpu time spent up to now is 59.0 secs Computing kpt #: 252 total cpu time spent up to now is 59.4 secs Computing kpt #: 253 total cpu time spent up to now is 59.8 secs Computing kpt #: 254 total cpu time spent up to now is 60.0 secs Computing kpt #: 255 total cpu time spent up to now is 60.3 secs Computing kpt #: 256 total cpu time spent up to now is 60.6 secs Computing kpt #: 257 total cpu time spent up to now is 60.8 secs Computing kpt #: 258 total cpu time spent up to now is 61.0 secs Computing kpt #: 259 total cpu time spent up to now is 61.3 secs Computing kpt #: 260 total cpu time spent up to now is 61.5 secs Computing kpt #: 261 total cpu time spent up to now is 61.7 secs Computing kpt #: 262 total cpu time spent up to now is 62.0 secs Computing kpt #: 263 total cpu time spent up to now is 62.3 secs Computing kpt #: 264 total cpu time spent up to now is 62.6 secs Computing kpt #: 265 total cpu time spent up to now is 63.0 secs Computing kpt #: 266 total cpu time spent up to now is 63.2 secs Computing kpt #: 267 total cpu time spent up to now is 63.3 secs Computing kpt #: 268 total cpu time spent up to now is 63.6 secs Computing kpt #: 269 total cpu time spent up to now is 64.0 secs Computing kpt #: 270 total cpu time spent up to now is 64.4 secs Computing kpt #: 271 total cpu time spent up to now is 64.7 secs Computing kpt #: 272 total cpu time spent up to now is 65.0 secs Computing kpt #: 273 total cpu time spent up to now is 65.3 secs Computing kpt #: 274 total cpu time spent up to now is 65.7 secs Computing kpt #: 275 total cpu time spent up to now is 66.0 secs Computing kpt #: 276 total cpu time spent up to now is 66.3 secs Computing kpt #: 277 total cpu time spent up to now is 66.6 secs Computing kpt #: 278 total cpu time spent up to now is 67.0 secs Computing kpt #: 279 total cpu time spent up to now is 67.3 secs Computing kpt #: 280 total cpu time spent up to now is 67.5 secs Computing kpt #: 281 total cpu time spent up to now is 67.8 secs Computing kpt #: 282 total cpu time spent up to now is 68.2 secs Computing kpt #: 283 total cpu time spent up to now is 68.4 secs Computing kpt #: 284 total cpu time spent up to now is 68.7 secs Computing kpt #: 285 total cpu time spent up to now is 69.0 secs Computing kpt #: 286 total cpu time spent up to now is 69.4 secs Computing kpt #: 287 total cpu time spent up to now is 69.8 secs Computing kpt #: 288 total cpu time spent up to now is 70.1 secs Computing kpt #: 289 total cpu time spent up to now is 70.5 secs Computing kpt #: 290 total cpu time spent up to now is 70.9 secs Computing kpt #: 291 total cpu time spent up to now is 71.2 secs Computing kpt #: 292 total cpu time spent up to now is 71.5 secs Computing kpt #: 293 total cpu time spent up to now is 71.8 secs Computing kpt #: 294 total cpu time spent up to now is 72.1 secs Computing kpt #: 295 total cpu time spent up to now is 72.4 secs Computing kpt #: 296 total cpu time spent up to now is 72.8 secs Computing kpt #: 297 total cpu time spent up to now is 73.1 secs Computing kpt #: 298 total cpu time spent up to now is 73.4 secs Computing kpt #: 299 total cpu time spent up to now is 73.7 secs Computing kpt #: 300 total cpu time spent up to now is 74.0 secs Computing kpt #: 301 total cpu time spent up to now is 74.3 secs Computing kpt #: 302 total cpu time spent up to now is 74.7 secs Computing kpt #: 303 total cpu time spent up to now is 75.0 secs Computing kpt #: 304 total cpu time spent up to now is 75.4 secs Computing kpt #: 305 total cpu time spent up to now is 75.7 secs Computing kpt #: 306 total cpu time spent up to now is 76.1 secs Computing kpt #: 307 total cpu time spent up to now is 76.3 secs Computing kpt #: 308 total cpu time spent up to now is 76.6 secs Computing kpt #: 309 total cpu time spent up to now is 76.8 secs Computing kpt #: 310 total cpu time spent up to now is 77.0 secs Computing kpt #: 311 total cpu time spent up to now is 77.3 secs Computing kpt #: 312 total cpu time spent up to now is 77.5 secs Computing kpt #: 313 total cpu time spent up to now is 77.7 secs Computing kpt #: 314 total cpu time spent up to now is 78.0 secs Computing kpt #: 315 total cpu time spent up to now is 78.2 secs Computing kpt #: 316 total cpu time spent up to now is 78.4 secs Computing kpt #: 317 total cpu time spent up to now is 78.6 secs Computing kpt #: 318 total cpu time spent up to now is 78.9 secs Computing kpt #: 319 total cpu time spent up to now is 79.1 secs Computing kpt #: 320 total cpu time spent up to now is 79.3 secs Computing kpt #: 321 total cpu time spent up to now is 79.5 secs Computing kpt #: 322 total cpu time spent up to now is 79.7 secs Computing kpt #: 323 total cpu time spent up to now is 79.9 secs Computing kpt #: 324 total cpu time spent up to now is 80.1 secs Computing kpt #: 325 total cpu time spent up to now is 80.3 secs Computing kpt #: 326 total cpu time spent up to now is 80.5 secs Computing kpt #: 327 total cpu time spent up to now is 80.7 secs Computing kpt #: 328 total cpu time spent up to now is 80.9 secs Computing kpt #: 329 total cpu time spent up to now is 81.1 secs Computing kpt #: 330 total cpu time spent up to now is 81.3 secs Computing kpt #: 331 total cpu time spent up to now is 81.5 secs Computing kpt #: 332 total cpu time spent up to now is 81.7 secs Computing kpt #: 333 total cpu time spent up to now is 81.9 secs Computing kpt #: 334 total cpu time spent up to now is 82.2 secs Computing kpt #: 335 total cpu time spent up to now is 82.4 secs Computing kpt #: 336 total cpu time spent up to now is 82.6 secs Computing kpt #: 337 total cpu time spent up to now is 82.8 secs Computing kpt #: 338 total cpu time spent up to now is 83.0 secs Computing kpt #: 339 total cpu time spent up to now is 83.3 secs Computing kpt #: 340 total cpu time spent up to now is 83.5 secs Computing kpt #: 341 total cpu time spent up to now is 83.7 secs Computing kpt #: 342 total cpu time spent up to now is 84.0 secs Computing kpt #: 343 total cpu time spent up to now is 84.2 secs Computing kpt #: 344 total cpu time spent up to now is 84.5 secs Computing kpt #: 345 total cpu time spent up to now is 84.7 secs Computing kpt #: 346 total cpu time spent up to now is 84.9 secs Computing kpt #: 347 total cpu time spent up to now is 85.1 secs Computing kpt #: 348 total cpu time spent up to now is 85.3 secs Computing kpt #: 349 total cpu time spent up to now is 85.5 secs Computing kpt #: 350 total cpu time spent up to now is 85.8 secs Computing kpt #: 351 total cpu time spent up to now is 86.0 secs Computing kpt #: 352 total cpu time spent up to now is 86.2 secs Computing kpt #: 353 total cpu time spent up to now is 86.4 secs Computing kpt #: 354 total cpu time spent up to now is 86.6 secs Computing kpt #: 355 total cpu time spent up to now is 86.8 secs Computing kpt #: 356 total cpu time spent up to now is 87.3 secs Computing kpt #: 357 total cpu time spent up to now is 87.5 secs Computing kpt #: 358 total cpu time spent up to now is 87.7 secs Computing kpt #: 359 total cpu time spent up to now is 87.9 secs Computing kpt #: 360 total cpu time spent up to now is 88.1 secs Computing kpt #: 361 total cpu time spent up to now is 88.3 secs Computing kpt #: 362 total cpu time spent up to now is 88.5 secs Computing kpt #: 363 total cpu time spent up to now is 88.7 secs Computing kpt #: 364 total cpu time spent up to now is 88.9 secs Computing kpt #: 365 total cpu time spent up to now is 89.0 secs Computing kpt #: 366 total cpu time spent up to now is 89.2 secs Computing kpt #: 367 total cpu time spent up to now is 89.4 secs Computing kpt #: 368 total cpu time spent up to now is 89.6 secs Computing kpt #: 369 total cpu time spent up to now is 89.8 secs Computing kpt #: 370 total cpu time spent up to now is 89.9 secs Computing kpt #: 371 total cpu time spent up to now is 90.1 secs Computing kpt #: 372 total cpu time spent up to now is 90.3 secs Computing kpt #: 373 total cpu time spent up to now is 90.5 secs Computing kpt #: 374 total cpu time spent up to now is 90.7 secs Computing kpt #: 375 total cpu time spent up to now is 90.9 secs Computing kpt #: 376 total cpu time spent up to now is 91.0 secs Computing kpt #: 377 total cpu time spent up to now is 91.3 secs Computing kpt #: 378 total cpu time spent up to now is 91.5 secs Computing kpt #: 379 total cpu time spent up to now is 91.6 secs Computing kpt #: 380 total cpu time spent up to now is 91.8 secs Computing kpt #: 381 total cpu time spent up to now is 92.0 secs Computing kpt #: 382 total cpu time spent up to now is 92.3 secs Computing kpt #: 383 total cpu time spent up to now is 92.5 secs Computing kpt #: 384 total cpu time spent up to now is 92.7 secs Computing kpt #: 385 total cpu time spent up to now is 92.9 secs Computing kpt #: 386 total cpu time spent up to now is 93.1 secs Computing kpt #: 387 total cpu time spent up to now is 93.3 secs Computing kpt #: 388 total cpu time spent up to now is 93.5 secs Computing kpt #: 389 total cpu time spent up to now is 93.7 secs Computing kpt #: 390 total cpu time spent up to now is 93.9 secs Computing kpt #: 391 total cpu time spent up to now is 94.1 secs Computing kpt #: 392 total cpu time spent up to now is 94.3 secs Computing kpt #: 393 total cpu time spent up to now is 94.5 secs Computing kpt #: 394 total cpu time spent up to now is 94.7 secs Computing kpt #: 395 total cpu time spent up to now is 94.9 secs Computing kpt #: 396 total cpu time spent up to now is 95.1 secs Computing kpt #: 397 total cpu time spent up to now is 95.3 secs Computing kpt #: 398 total cpu time spent up to now is 95.5 secs Computing kpt #: 399 total cpu time spent up to now is 95.7 secs Computing kpt #: 400 total cpu time spent up to now is 95.9 secs Computing kpt #: 401 total cpu time spent up to now is 96.1 secs Computing kpt #: 402 total cpu time spent up to now is 96.3 secs Computing kpt #: 403 total cpu time spent up to now is 96.5 secs Computing kpt #: 404 total cpu time spent up to now is 96.7 secs Computing kpt #: 405 total cpu time spent up to now is 96.9 secs Computing kpt #: 406 total cpu time spent up to now is 97.1 secs Computing kpt #: 407 total cpu time spent up to now is 97.4 secs Computing kpt #: 408 total cpu time spent up to now is 97.6 secs Computing kpt #: 409 total cpu time spent up to now is 97.8 secs Computing kpt #: 410 total cpu time spent up to now is 98.0 secs Computing kpt #: 411 total cpu time spent up to now is 98.2 secs Computing kpt #: 412 total cpu time spent up to now is 98.4 secs Computing kpt #: 413 total cpu time spent up to now is 98.7 secs Computing kpt #: 414 total cpu time spent up to now is 98.9 secs Computing kpt #: 415 total cpu time spent up to now is 99.1 secs Computing kpt #: 416 total cpu time spent up to now is 99.3 secs Computing kpt #: 417 total cpu time spent up to now is 99.6 secs Computing kpt #: 418 total cpu time spent up to now is 99.8 secs Computing kpt #: 419 total cpu time spent up to now is 100.0 secs Computing kpt #: 420 total cpu time spent up to now is 100.2 secs Computing kpt #: 421 total cpu time spent up to now is 100.5 secs Computing kpt #: 422 total cpu time spent up to now is 100.7 secs Computing kpt #: 423 total cpu time spent up to now is 101.0 secs Computing kpt #: 424 total cpu time spent up to now is 101.2 secs Computing kpt #: 425 total cpu time spent up to now is 101.5 secs Computing kpt #: 426 total cpu time spent up to now is 101.8 secs ethr = 3.85E-08, avg # of iterations = 27.2 total cpu time spent up to now is 101.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1289 PWs) bands (ev): 4.3753 4.3753 6.5213 6.5213 8.1181 8.1181 8.3987 8.3987 10.5611 10.5611 10.8529 10.8529 11.1484 11.1484 13.6044 13.6044 13.9490 13.9490 14.9987 14.9987 18.6436 18.6436 19.3877 19.3877 19.5300 19.5300 20.2433 20.2433 22.6950 22.6950 23.8341 23.8341 26.0314 26.0315 k = 0.0091 0.0052-0.0000 ( 1289 PWs) bands (ev): 4.3767 4.3767 6.5215 6.5215 8.1170 8.1170 8.3977 8.3977 10.5610 10.5610 10.8545 10.8545 11.1487 11.1487 13.6078 13.6078 13.9490 13.9490 14.9983 14.9983 18.6433 18.6433 19.3862 19.3862 19.5286 19.5286 20.2414 20.2414 22.6981 22.6981 23.8363 23.8363 26.0223 26.0223 k = 0.0182 0.0105-0.0000 ( 1293 PWs) bands (ev): 4.3811 4.3811 6.5224 6.5224 8.1138 8.1138 8.3946 8.3946 10.5605 10.5605 10.8592 10.8592 11.1495 11.1495 13.6177 13.6177 13.9489 13.9489 14.9971 14.9971 18.6424 18.6424 19.3819 19.3819 19.5244 19.5244 20.2358 20.2358 22.7072 22.7072 23.8427 23.8427 25.9956 25.9956 k = 0.0273 0.0157-0.0000 ( 1293 PWs) bands (ev): 4.3884 4.3884 6.5238 6.5238 8.1083 8.1083 8.3896 8.3896 10.5597 10.5597 10.8671 10.8671 11.1509 11.1509 13.6341 13.6341 13.9487 13.9487 14.9953 14.9953 18.6409 18.6409 19.3744 19.3744 19.5177 19.5177 20.2264 20.2264 22.7224 22.7224 23.8533 23.8533 25.9538 25.9538 k = 0.0364 0.0210-0.0000 ( 1291 PWs) bands (ev): 4.3986 4.3986 6.5258 6.5258 8.1005 8.1005 8.3829 8.3829 10.5583 10.5583 10.8779 10.8779 11.1533 11.1533 13.6567 13.6567 13.9486 13.9486 14.9929 14.9929 18.6388 18.6388 19.3632 19.3632 19.5086 19.5086 20.2135 20.2135 22.7435 22.7435 23.8677 23.8677 25.9002 25.9002 k = 0.0455 0.0262-0.0000 ( 1295 PWs) bands (ev): 4.4116 4.4116 6.5285 6.5285 8.0901 8.0901 8.3748 8.3748 10.5563 10.5563 10.8917 10.8917 11.1568 11.1568 13.6850 13.6850 13.9488 13.9488 14.9901 14.9901 18.6361 18.6361 19.3478 19.3478 19.4977 19.4977 20.1970 20.1970 22.7703 22.7703 23.8855 23.8855 25.8381 25.8381 k = 0.0545 0.0315-0.0000 ( 1295 PWs) bands (ev): 4.4275 4.4275 6.5317 6.5317 8.0769 8.0769 8.3656 8.3656 10.5536 10.5536 10.9084 10.9084 11.1619 11.1619 13.7182 13.7182 13.9498 13.9498 14.9871 14.9871 18.6327 18.6327 19.3273 19.3273 19.4855 19.4855 20.1773 20.1773 22.8025 22.8025 23.9063 23.9063 25.7709 25.7709 k = 0.0636 0.0367-0.0000 ( 1295 PWs) bands (ev): 4.4463 4.4463 6.5356 6.5356 8.0609 8.0609 8.3557 8.3557 10.5498 10.5498 10.9276 10.9276 11.1690 11.1690 13.7547 13.7547 13.9529 13.9529 14.9841 14.9841 18.6288 18.6288 19.3009 19.3009 19.4726 19.4726 20.1543 20.1543 22.8400 22.8400 23.9293 23.9293 25.7013 25.7013 k = 0.0727 0.0420-0.0000 ( 1299 PWs) bands (ev): 4.4677 4.4677 6.5401 6.5401 8.0418 8.0418 8.3454 8.3454 10.5448 10.5448 10.9492 10.9492 11.1787 11.1787 13.7918 13.7918 13.9604 13.9604 14.9813 14.9813 18.6241 18.6241 19.2678 19.2678 19.4596 19.4596 20.1283 20.1283 22.8823 22.8823 23.9536 23.9536 25.6318 25.6318 k = 0.0818 0.0472-0.0000 ( 1299 PWs) bands (ev): 4.4919 4.4919 6.5454 6.5454 8.0197 8.0197 8.3350 8.3350 10.5384 10.5384 10.9729 10.9729 11.1916 11.1916 13.8241 13.8241 13.9773 13.9773 14.9791 14.9791 18.6186 18.6186 19.2275 19.2275 19.4468 19.4468 20.0993 20.0993 22.9290 22.9290 23.9780 23.9780 25.5645 25.5645 k = 0.0909 0.0525-0.0000 ( 1299 PWs) bands (ev): 4.5187 4.5187 6.5513 6.5513 7.9945 7.9945 8.3247 8.3247 10.5303 10.5303 10.9984 10.9984 11.2083 11.2083 13.8455 13.8455 14.0093 14.0093 14.9776 14.9776 18.6123 18.6123 19.1799 19.1799 19.4343 19.4343 20.0675 20.0675 22.9798 22.9798 24.0013 24.0013 25.5012 25.5012 k = 0.1000 0.0577-0.0000 ( 1299 PWs) bands (ev): 4.5481 4.5481 6.5580 6.5580 7.9663 7.9663 8.3147 8.3147 10.5205 10.5205 11.0253 11.0253 11.2294 11.2294 13.8546 13.8546 14.0575 14.0575 14.9773 14.9773 18.6049 18.6049 19.1249 19.1249 19.4221 19.4221 20.0328 20.0328 23.0340 23.0340 24.0218 24.0218 25.4427 25.4427 k = 0.1091 0.0630-0.0000 ( 1303 PWs) bands (ev): 4.5799 4.5799 6.5655 6.5655 7.9353 7.9353 8.3050 8.3050 10.5086 10.5086 11.0533 11.0533 11.2554 11.2554 13.8549 13.8549 14.1178 14.1178 14.9782 14.9782 18.5960 18.5960 19.0629 19.0629 19.4101 19.4101 19.9952 19.9952 23.0910 23.0910 24.0378 24.0378 25.3891 25.3891 k = 0.1182 0.0682-0.0000 ( 1303 PWs) bands (ev): 4.6141 4.6141 6.5738 6.5738 7.9018 7.9018 8.2956 8.2956 10.4948 10.4948 11.0822 11.0822 11.2866 11.2866 13.8498 13.8498 14.1866 14.1866 14.9807 14.9807 18.5850 18.5850 18.9946 18.9946 19.3983 19.3983 19.9548 19.9548 23.1501 23.1501 24.0476 24.0476 25.3380 25.3380 k = 0.1273 0.0735-0.0000 ( 1299 PWs) bands (ev): 4.6506 4.6506 6.5830 6.5830 7.8661 7.8661 8.2866 8.2866 10.4790 10.4790 11.1122 11.1122 11.3230 11.3230 13.8412 13.8412 14.2616 14.2616 14.9851 14.9851 18.5708 18.5708 18.9215 18.9215 19.3864 19.3864 19.9113 19.9113 23.2104 23.2104 24.0496 24.0496 25.2844 25.2844 k = 0.1364 0.0787-0.0000 ( 1291 PWs) bands (ev): 4.6892 4.6892 6.5931 6.5931 7.8284 7.8284 8.2778 8.2778 10.4611 10.4611 11.1433 11.1433 11.3646 11.3646 13.8301 13.8301 14.3415 14.3415 14.9913 14.9913 18.5508 18.5508 18.8461 18.8461 19.3743 19.3743 19.8647 19.8647 23.2706 23.2706 24.0430 24.0430 25.2225 25.2225 k = 0.1455 0.0840-0.0000 ( 1283 PWs) bands (ev): 4.7299 4.7299 6.6042 6.6042 7.7892 7.7892 8.2691 8.2691 10.4414 10.4414 11.1759 11.1759 11.4109 11.4109 13.8172 13.8172 14.4255 14.4255 14.9997 14.9997 18.5201 18.5201 18.7737 18.7737 19.3619 19.3619 19.8150 19.8150 23.3294 23.3294 24.0275 24.0275 25.1508 25.1508 k = 0.1545 0.0892-0.0000 ( 1279 PWs) bands (ev): 4.7724 4.7724 6.6163 6.6163 7.7487 7.7487 8.2606 8.2606 10.4198 10.4198 11.2102 11.2102 11.4616 11.4616 13.8029 13.8029 14.5129 14.5129 15.0103 15.0103 18.4712 18.4712 18.7123 18.7123 19.3488 19.3488 19.7622 19.7622 23.3846 23.3846 24.0035 24.0035 25.0721 25.0721 k = 0.1636 0.0945-0.0000 ( 1281 PWs) bands (ev): 4.8166 4.8166 6.6297 6.6297 7.7072 7.7072 8.2521 8.2521 10.3965 10.3965 11.2464 11.2464 11.5162 11.5162 13.7877 13.7877 14.6030 14.6030 15.0232 15.0232 18.3982 18.3982 18.6679 18.6679 19.3347 19.3347 19.7065 19.7065 23.4332 23.4332 23.9725 23.9725 24.9903 24.9903 k = 0.1727 0.0997-0.0000 ( 1279 PWs) bands (ev): 4.8623 4.8623 6.6441 6.6441 7.6652 7.6652 8.2437 8.2437 10.3718 10.3718 11.2848 11.2848 11.5743 11.5743 13.7720 13.7720 14.6955 14.6955 15.0386 15.0386 18.3039 18.3039 18.6385 18.6385 19.3188 19.3188 19.6485 19.6485 23.4713 23.4713 23.9367 23.9367 24.9094 24.9094 k = 0.1818 0.1050-0.0000 ( 1275 PWs) bands (ev): 4.9094 4.9094 6.6598 6.6598 7.6228 7.6228 8.2352 8.2352 10.3458 10.3458 11.3255 11.3255 11.6353 11.6353 13.7562 13.7562 14.7895 14.7895 15.0566 15.0566 18.1943 18.1943 18.6183 18.6183 19.3001 19.3001 19.5891 19.5891 23.4932 23.4932 23.8988 23.8988 24.8337 24.8337 k = 0.1909 0.1102-0.0000 ( 1275 PWs) bands (ev): 4.9575 4.9575 6.6767 6.6767 7.5805 7.5805 8.2266 8.2266 10.3186 10.3186 11.3687 11.3687 11.6988 11.6988 13.7409 13.7409 14.8841 14.8841 15.0778 15.0778 18.0742 18.0742 18.6030 18.6030 19.2763 19.2763 19.5305 19.5305 23.4922 23.4922 23.8617 23.8617 24.7681 24.7681 k = 0.2000 0.1155-0.0000 ( 1267 PWs) bands (ev): 5.0065 5.0065 6.6949 6.6949 7.5386 7.5386 8.2180 8.2180 10.2904 10.2904 11.4143 11.4143 11.7643 11.7643 13.7266 13.7266 14.9770 14.9770 15.1039 15.1039 17.9464 17.9464 18.5905 18.5905 19.2443 19.2443 19.4758 19.4758 23.4632 23.4632 23.8266 23.8266 24.7185 24.7185 k = 0.2091 0.1207-0.0000 ( 1269 PWs) bands (ev): 5.0560 5.0560 6.7143 6.7143 7.4975 7.4975 8.2093 8.2093 10.2615 10.2615 11.4623 11.4623 11.8312 11.8312 13.7141 13.7141 15.0598 15.0598 15.1427 15.1427 17.8127 17.8127 18.5795 18.5795 19.2001 19.2001 19.4290 19.4290 23.4048 23.4048 23.7913 23.7913 24.6892 24.6892 k = 0.2182 0.1260-0.0000 ( 1269 PWs) bands (ev): 5.1059 5.1059 6.7349 6.7349 7.4577 7.4577 8.2005 8.2005 10.2319 10.2319 11.5129 11.5129 11.8989 11.8989 13.7040 13.7040 15.1151 15.1151 15.2111 15.2111 17.6743 17.6743 18.5696 18.5696 19.1413 19.1413 19.3927 19.3927 23.3196 23.3196 23.7528 23.7528 24.6821 24.6821 k = 0.2273 0.1312-0.0000 ( 1271 PWs) bands (ev): 5.1558 5.1558 6.7564 6.7564 7.4196 7.4196 8.1916 8.1916 10.2019 10.2019 11.5658 11.5658 11.9666 11.9666 13.6973 13.6973 15.1507 15.1507 15.3003 15.3003 17.5323 17.5323 18.5602 18.5602 19.0692 19.0692 19.3658 19.3658 23.2114 23.2114 23.7100 23.7100 24.6953 24.6953 k = 0.2364 0.1365-0.0000 ( 1271 PWs) bands (ev): 5.2054 5.2054 6.7786 6.7786 7.3840 7.3840 8.1826 8.1826 10.1717 10.1717 11.6211 11.6211 12.0336 12.0336 13.6948 13.6948 15.1817 15.1817 15.3946 15.3946 17.3879 17.3879 18.5513 18.5513 18.9867 18.9867 19.3456 19.3456 23.0838 23.0838 23.6639 23.6639 24.7252 24.7252 k = 0.2455 0.1417-0.0000 ( 1271 PWs) bands (ev): 5.2544 5.2544 6.8008 6.8008 7.3518 7.3518 8.1736 8.1736 10.1413 10.1413 11.6786 11.6786 12.0989 12.0989 13.6976 13.6976 15.2122 15.2122 15.4888 15.4888 17.2423 17.2423 18.5426 18.5426 18.8965 18.8965 19.3296 19.3296 22.9399 22.9399 23.6166 23.6166 24.7670 24.7670 k = 0.2545 0.1470-0.0000 ( 1275 PWs) bands (ev): 5.3026 5.3026 6.8220 6.8220 7.3241 7.3241 8.1646 8.1646 10.1110 10.1110 11.7383 11.7383 12.1615 12.1615 13.7069 13.7069 15.2430 15.2430 15.5804 15.5804 17.0972 17.0972 18.5339 18.5339 18.8005 18.8005 19.3164 19.3164 22.7825 22.7825 23.5696 23.5696 24.8168 24.8168 k = 0.2636 0.1522-0.0000 ( 1273 PWs) bands (ev): 5.3497 5.3497 6.8411 6.8411 7.3027 7.3027 8.1556 8.1556 10.0808 10.0808 11.8000 11.8000 12.2205 12.2205 13.7237 13.7237 15.2744 15.2744 15.6669 15.6669 16.9549 16.9549 18.5248 18.5248 18.7005 18.7005 19.3050 19.3050 22.6141 22.6141 23.5243 23.5243 24.8713 24.8713 k = 0.2727 0.1575-0.0000 ( 1274 PWs) bands (ev): 5.3952 5.3952 6.8561 6.8561 7.2894 7.2894 8.1466 8.1466 10.0509 10.0509 11.8634 11.8634 12.2749 12.2749 13.7493 13.7493 15.3065 15.3065 15.7447 15.7447 16.8193 16.8193 18.5127 18.5127 18.5998 18.5998 19.2949 19.2949 22.4367 22.4367 23.4812 23.4812 24.9280 24.9280 k = 0.2818 0.1627-0.0000 ( 1270 PWs) bands (ev): 5.4391 5.4391 6.8653 6.8653 7.2863 7.2863 8.1377 8.1377 10.0215 10.0215 11.9285 11.9285 12.3238 12.3238 13.7846 13.7846 15.3391 15.3391 15.8073 15.8073 16.6967 16.6967 18.4683 18.4683 18.5283 18.5283 19.2857 19.2857 22.2520 22.2520 23.4410 23.4410 24.9853 24.9853 k = 0.2909 0.1680-0.0000 ( 1270 PWs) bands (ev): 5.4811 5.4811 6.8674 6.8674 7.2947 7.2947 8.1290 8.1290 9.9926 9.9926 11.9949 11.9949 12.3668 12.3668 13.8304 13.8304 15.3721 15.3721 15.8441 15.8441 16.5983 16.5983 18.3669 18.3669 18.5114 18.5114 19.2773 19.2773 22.0613 22.0613 23.4037 23.4037 25.0421 25.0421 k = 0.3000 0.1732-0.0000 ( 1270 PWs) bands (ev): 5.5209 5.5209 6.8621 6.8621 7.3149 7.3149 8.1204 8.1204 9.9644 9.9644 12.0621 12.0621 12.4038 12.4038 13.8870 13.8870 15.4054 15.4054 15.8405 15.8405 16.5386 16.5386 18.2555 18.2555 18.5024 18.5024 19.2695 19.2695 21.8658 21.8658 23.3696 23.3696 25.0979 25.0979 k = 0.3091 0.1785-0.0000 ( 1270 PWs) bands (ev): 5.5585 5.5585 6.8504 6.8504 7.3459 7.3459 8.1121 8.1121 9.9369 9.9369 12.1294 12.1294 12.4352 12.4352 13.9545 13.9545 15.4390 15.4390 15.7886 15.7886 16.5258 16.5258 18.1414 18.1414 18.4949 18.4949 19.2622 19.2622 21.6664 21.6664 23.3386 23.3386 25.1526 25.1526 k = 0.3182 0.1837-0.0000 ( 1270 PWs) bands (ev): 5.5938 5.5938 6.8340 6.8340 7.3859 7.3859 8.1042 8.1042 9.9103 9.9103 12.1959 12.1959 12.4621 12.4621 14.0326 14.0326 15.4726 15.4726 15.6963 15.6963 16.5523 16.5523 18.0257 18.0257 18.4879 18.4879 19.2554 19.2554 21.4638 21.4638 23.3108 23.3108 25.2061 25.2061 k = 0.3273 0.1890-0.0000 ( 1266 PWs) bands (ev): 5.6266 5.6266 6.8143 6.8143 7.4332 7.4332 8.0967 8.0967 9.8848 9.8848 12.2595 12.2595 12.4870 12.4870 14.1207 14.1207 15.5062 15.5062 15.5791 15.5791 16.6030 16.6030 17.9091 17.9091 18.4814 18.4814 19.2489 19.2489 21.2588 21.2588 23.2862 23.2862 25.2588 25.2588 k = 0.3364 0.1942-0.0000 ( 1266 PWs) bands (ev): 5.6571 5.6571 6.7926 6.7926 7.4860 7.4860 8.0897 8.0897 9.8603 9.8603 12.3169 12.3169 12.5135 12.5135 14.2179 14.2179 15.4484 15.4484 15.5401 15.5401 16.6662 16.6662 17.7923 17.7923 18.4752 18.4752 19.2428 19.2428 21.0520 21.0520 23.2647 23.2647 25.3104 25.3104 k = 0.3455 0.1994-0.0000 ( 1266 PWs) bands (ev): 5.6852 5.6852 6.7700 6.7700 7.5431 7.5431 8.0835 8.0835 9.8369 9.8369 12.3628 12.3628 12.5474 12.5474 14.3233 14.3233 15.3121 15.3121 15.5734 15.5734 16.7351 16.7351 17.6759 17.6759 18.4693 18.4693 19.2370 19.2370 20.8439 20.8439 23.2461 23.2461 25.3610 25.3610 k = 0.3545 0.2047-0.0000 ( 1266 PWs) bands (ev): 5.7109 5.7109 6.7472 6.7472 7.6029 7.6029 8.0783 8.0783 9.8149 9.8149 12.3934 12.3934 12.5931 12.5931 14.4359 14.4359 15.1741 15.1741 15.6066 15.6066 16.8056 16.8056 17.5605 17.5605 18.4637 18.4637 19.2314 19.2314 20.6350 20.6350 23.2304 23.2304 25.4106 25.4106 k = 0.3636 0.2099-0.0000 ( 1270 PWs) bands (ev): 5.7343 5.7343 6.7246 6.7246 7.6643 7.6643 8.0744 8.0744 9.7941 9.7941 12.4099 12.4099 12.6495 12.6495 14.5544 14.5544 15.0374 15.0374 15.6397 15.6397 16.8750 16.8750 17.4471 17.4471 18.4584 18.4584 19.2261 19.2261 20.4259 20.4259 23.2173 23.2173 25.4588 25.4588 k = 0.3727 0.2152-0.0000 ( 1270 PWs) bands (ev): 5.7556 5.7556 6.7027 6.7027 7.7256 7.7256 8.0725 8.0725 9.7748 9.7748 12.4169 12.4169 12.7121 12.7121 14.6767 14.6767 14.9050 14.9050 15.6728 15.6728 16.9406 16.9406 17.3376 17.3376 18.4533 18.4533 19.2209 19.2209 20.2171 20.2171 23.2068 23.2068 25.5056 25.5056 k = 0.3818 0.2204-0.0000 ( 1266 PWs) bands (ev): 5.7748 5.7748 6.6817 6.6817 7.7850 7.7850 8.0737 8.0737 9.7570 9.7570 12.4181 12.4181 12.7773 12.7773 14.7555 14.7555 14.8247 14.8247 15.7061 15.7061 16.9967 16.9967 17.2374 17.2374 18.4487 18.4487 19.2158 19.2158 20.0092 20.0092 23.1987 23.1987 25.5508 25.5508 k = 0.3909 0.2257-0.0000 ( 1268 PWs) bands (ev): 5.7919 5.7919 6.6618 6.6618 7.8397 7.8397 8.0799 8.0799 9.7407 9.7407 12.4159 12.4159 12.8425 12.8425 14.6447 14.6447 14.9426 14.9426 15.7403 15.7403 17.0183 17.0183 17.1714 17.1714 18.4442 18.4442 19.2102 19.2102 19.8029 19.8029 23.1926 23.1926 25.5938 25.5938 k = 0.4000 0.2309-0.0000 ( 1264 PWs) bands (ev): 5.8073 5.8073 6.6432 6.6432 7.8862 7.8862 8.0939 8.0939 9.7259 9.7259 12.4114 12.4114 12.9058 12.9058 14.5297 14.5297 15.0731 15.0731 15.7763 15.7763 16.9633 16.9633 17.1819 17.1819 18.4402 18.4402 19.2033 19.2033 19.5997 19.5997 23.1885 23.1885 25.6346 25.6346 k = 0.4091 0.2362-0.0000 ( 1260 PWs) bands (ev): 5.8210 5.8210 6.6259 6.6259 7.9206 7.9206 8.1186 8.1186 9.7128 9.7128 12.4058 12.4058 12.9655 12.9655 14.4227 14.4227 15.2026 15.2026 15.8157 15.8157 16.8749 16.8749 17.2261 17.2261 18.4364 18.4364 19.1903 19.1903 19.4049 19.4049 23.1860 23.1860 25.6728 25.6728 k = 0.4182 0.2414-0.0000 ( 1264 PWs) bands (ev): 5.8329 5.8329 6.6102 6.6102 7.9422 7.9422 8.1538 8.1538 9.7013 9.7013 12.3995 12.3995 13.0203 13.0203 14.3258 14.3258 15.3267 15.3267 15.8615 15.8615 16.7831 16.7831 17.2745 17.2745 18.4330 18.4330 19.1321 19.1321 19.2582 19.2582 23.1848 23.1848 25.7082 25.7082 k = 0.4273 0.2467-0.0000 ( 1260 PWs) bands (ev): 5.8433 5.8433 6.5960 6.5960 7.9543 7.9543 8.1956 8.1956 9.6915 9.6915 12.3931 12.3931 13.0687 13.0687 14.2407 14.2407 15.4400 15.4400 15.9179 15.9179 16.6946 16.6946 17.3214 17.3214 18.4299 18.4299 18.9683 18.9683 19.2207 19.2207 23.1847 23.1847 25.7405 25.7405 k = 0.4364 0.2519-0.0000 ( 1260 PWs) bands (ev): 5.8523 5.8523 6.5833 6.5833 7.9604 7.9604 8.2394 8.2394 9.6832 9.6832 12.3867 12.3867 13.1092 13.1092 14.1686 14.1686 15.5358 15.5358 15.9901 15.9901 16.6118 16.6118 17.3654 17.3654 18.4271 18.4271 18.7809 18.7809 19.2112 19.2112 23.1855 23.1855 25.7696 25.7696 k = 0.4455 0.2572-0.0000 ( 1268 PWs) bands (ev): 5.8599 5.8599 6.5723 6.5723 7.9634 7.9634 8.2817 8.2817 9.6763 9.6763 12.3808 12.3808 13.1411 13.1411 14.1104 14.1104 15.6098 15.6098 16.0804 16.0804 16.5366 16.5366 17.4061 17.4061 18.4247 18.4247 18.5944 18.5944 19.2065 19.2065 23.1868 23.1868 25.7951 25.7951 k = 0.4545 0.2624-0.0000 ( 1274 PWs) bands (ev): 5.8661 5.8661 6.5630 6.5630 7.9646 7.9646 8.3201 8.3201 9.6709 9.6709 12.3754 12.3754 13.1641 13.1641 14.0660 14.0660 15.6630 15.6630 16.1850 16.1850 16.4704 16.4704 17.4439 17.4439 18.4125 18.4125 18.4238 18.4238 19.2033 19.2033 23.1884 23.1884 25.8170 25.8170 k = 0.4636 0.2677-0.0000 ( 1274 PWs) bands (ev): 5.8712 5.8712 6.5553 6.5553 7.9649 7.9649 8.3533 8.3533 9.6667 9.6667 12.3708 12.3708 13.1788 13.1788 14.0345 14.0345 15.6998 15.6998 16.2938 16.2938 16.4166 16.4166 17.4801 17.4801 18.2416 18.2416 18.4211 18.4211 19.2011 19.2011 23.1900 23.1900 25.8351 25.8351 k = 0.4727 0.2729-0.0000 ( 1272 PWs) bands (ev): 5.8751 5.8751 6.5493 6.5493 7.9649 7.9649 8.3801 8.3801 9.6637 9.6637 12.3671 12.3671 13.1869 13.1869 14.0140 14.0140 15.7246 15.7246 16.3532 16.3532 16.4196 16.4196 17.5165 17.5165 18.0823 18.0823 18.4197 18.4197 19.1995 19.1995 23.1916 23.1916 25.8493 25.8493 k = 0.4818 0.2782-0.0000 ( 1270 PWs) bands (ev): 5.8779 5.8779 6.5451 6.5451 7.9647 7.9647 8.3998 8.3998 9.6617 9.6617 12.3643 12.3643 13.1905 13.1905 14.0018 14.0018 15.7407 15.7407 16.3277 16.3277 16.5042 16.5042 17.5563 17.5563 17.9411 17.9411 18.4188 18.4188 19.1984 19.1984 23.1928 23.1928 25.8595 25.8595 k = 0.4909 0.2834-0.0000 ( 1270 PWs) bands (ev): 5.8795 5.8795 6.5425 6.5425 7.9646 7.9646 8.4118 8.4118 9.6605 9.6605 12.3627 12.3627 13.1917 13.1917 13.9956 13.9956 15.7497 15.7497 16.3083 16.3083 16.5670 16.5670 17.6011 17.6011 17.8277 17.8277 18.4182 18.4182 19.1978 19.1978 23.1937 23.1937 25.8657 25.8657 k = 0.5000 0.2887-0.0000 ( 1270 PWs) bands (ev): 5.8801 5.8801 6.5417 6.5417 7.9645 7.9645 8.4158 8.4158 9.6601 9.6601 12.3621 12.3621 13.1919 13.1919 13.9938 13.9938 15.7526 15.7526 16.3017 16.3017 16.5898 16.5898 17.6308 17.6308 17.7735 17.7735 18.4180 18.4180 19.1976 19.1976 23.1939 23.1939 25.8678 25.8678 k = 0.5000 0.2887-0.0000 ( 1270 PWs) bands (ev): 5.8801 5.8801 6.5417 6.5417 7.9645 7.9645 8.4158 8.4158 9.6601 9.6601 12.3621 12.3621 13.1919 13.1919 13.9938 13.9938 15.7526 15.7526 16.3017 16.3017 16.5898 16.5898 17.6308 17.6308 17.7735 17.7735 18.4180 18.4180 19.1976 19.1976 23.1939 23.1939 25.8678 25.8678 k = 0.4948 0.2977-0.0000 ( 1274 PWs) bands (ev): 5.8805 5.8805 6.5422 6.5422 7.9631 7.9631 8.4170 8.4170 9.6601 9.6601 12.3637 12.3637 13.1923 13.1923 13.9909 13.9909 15.7399 15.7399 16.3020 16.3020 16.6029 16.6029 17.6337 17.6337 17.7743 17.7743 18.4181 18.4181 19.1977 19.1977 23.1949 23.1949 25.8550 25.8550 k = 0.4896 0.3067-0.0000 ( 1274 PWs) bands (ev): 5.8817 5.8817 6.5438 6.5438 7.9590 7.9590 8.4205 8.4205 9.6599 9.6599 12.3686 12.3686 13.1934 13.1934 13.9823 13.9823 15.7041 15.7041 16.3029 16.3029 16.6400 16.6400 17.6423 17.6423 17.7769 17.7769 18.4182 18.4182 19.1979 19.1979 23.1979 23.1979 25.8174 25.8174 k = 0.4844 0.3157-0.0000 ( 1266 PWs) bands (ev): 5.8838 5.8838 6.5466 6.5466 7.9521 7.9521 8.4265 8.4265 9.6595 9.6595 12.3767 12.3767 13.1949 13.1949 13.9686 13.9686 15.6504 15.6504 16.3039 16.3039 16.6961 16.6961 17.6556 17.6556 17.7825 17.7825 18.4183 18.4183 19.1983 19.1983 23.2028 23.2028 25.7565 25.7565 k = 0.4792 0.3248-0.0000 ( 1264 PWs) bands (ev): 5.8866 5.8866 6.5504 6.5504 7.9425 7.9425 8.4351 8.4351 9.6590 9.6590 12.3879 12.3879 13.1963 13.1963 13.9505 13.9505 15.5844 15.5844 16.3045 16.3045 16.7657 16.7657 17.6715 17.6715 17.7929 17.7929 18.4185 18.4185 19.1989 19.1989 23.2096 23.2096 25.6742 25.6742 k = 0.4740 0.3338-0.0000 ( 1264 PWs) bands (ev): 5.8901 5.8901 6.5553 6.5553 7.9300 7.9300 8.4463 8.4463 9.6583 9.6583 12.4023 12.4023 13.1966 13.1966 13.9292 13.9292 15.5105 15.5105 16.3046 16.3046 16.8442 16.8442 17.6871 17.6871 17.8113 17.8113 18.4188 18.4188 19.1997 19.1997 23.2183 23.2183 25.5729 25.5729 k = 0.4688 0.3428-0.0000 ( 1264 PWs) bands (ev): 5.8943 5.8943 6.5613 6.5613 7.9149 7.9149 8.4603 8.4603 9.6573 9.6573 12.4197 12.4197 13.1949 13.1949 13.9063 13.9063 15.4316 15.4316 16.3036 16.3036 16.9284 16.9284 17.6992 17.6992 17.8407 17.8407 18.4191 18.4191 19.2008 19.2008 23.2286 23.2286 25.4551 25.4551 k = 0.4635 0.3518-0.0000 ( 1256 PWs) bands (ev): 5.8992 5.8992 6.5684 6.5684 7.8970 7.8970 8.4773 8.4773 9.6560 9.6560 12.4402 12.4402 13.1895 13.1895 13.8836 13.8836 15.3500 15.3500 16.3014 16.3014 17.0159 17.0159 17.7071 17.7071 17.8822 17.8822 18.4195 18.4195 19.2021 19.2021 23.2406 23.2406 25.3229 25.3229 k = 0.4583 0.3608-0.0000 ( 1256 PWs) bands (ev): 5.9046 5.9046 6.5766 6.5766 7.8766 7.8766 8.4974 8.4974 9.6543 9.6543 12.4635 12.4635 13.1788 13.1788 13.8634 13.8634 15.2669 15.2669 16.2974 16.2974 17.1051 17.1051 17.7115 17.7115 17.9347 17.9347 18.4200 18.4200 19.2037 19.2037 23.2540 23.2540 25.1785 25.1785 k = 0.4531 0.3699-0.0000 ( 1256 PWs) bands (ev): 5.9105 5.9105 6.5859 6.5859 7.8537 7.8537 8.5205 8.5205 9.6523 9.6523 12.4895 12.4895 13.1609 13.1609 13.8481 13.8481 15.1834 15.1834 16.2915 16.2915 17.1946 17.1946 17.7139 17.7139 17.9968 17.9968 18.4206 18.4206 19.2057 19.2057 23.2687 23.2687 25.0236 25.0236 k = 0.4479 0.3789-0.0000 ( 1260 PWs) bands (ev): 5.9167 5.9167 6.5963 6.5963 7.8286 7.8286 8.5468 8.5468 9.6498 9.6498 12.5182 12.5182 13.1342 13.1342 13.8398 13.8398 15.1001 15.1001 16.2831 16.2831 17.2834 17.2834 17.7154 17.7154 18.0673 18.0673 18.4214 18.4214 19.2083 19.2083 23.2845 23.2845 24.8599 24.8599 k = 0.4427 0.3879-0.0000 ( 1258 PWs) bands (ev): 5.9233 5.9233 6.6078 6.6078 7.8015 7.8015 8.5763 8.5763 9.6469 9.6469 12.5491 12.5491 13.0979 13.0979 13.8399 13.8399 15.0176 15.0176 16.2719 16.2719 17.3703 17.3703 17.7174 17.7174 18.1448 18.1448 18.4227 18.4227 19.2116 19.2116 23.3012 23.3012 24.6890 24.6890 k = 0.4375 0.3969-0.0000 ( 1260 PWs) bands (ev): 5.9301 5.9301 6.6203 6.6203 7.7725 7.7725 8.6090 8.6090 9.6435 9.6435 12.5821 12.5821 13.0521 13.0521 13.8491 13.8491 14.9362 14.9362 16.2577 16.2577 17.4537 17.4537 17.7214 17.7214 18.2279 18.2279 18.4249 18.4249 19.2158 19.2158 23.3186 23.3186 24.5120 24.5120 k = 0.4323 0.4059-0.0000 ( 1260 PWs) bands (ev): 5.9370 5.9370 6.6338 6.6338 7.7420 7.7420 8.6448 8.6448 9.6397 9.6397 12.6164 12.6164 12.9978 12.9978 13.8671 13.8671 14.8563 14.8563 16.2402 16.2402 17.5300 17.5300 17.7311 17.7311 18.3132 18.3132 18.4304 18.4304 19.2214 19.2214 23.3365 23.3365 24.3301 24.3301 k = 0.4271 0.4150-0.0000 ( 1256 PWs) bands (ev): 5.9440 5.9440 6.6484 6.6484 7.7102 7.7102 8.6836 8.6836 9.6354 9.6354 12.6507 12.6507 12.9373 12.9373 13.8934 13.8934 14.7782 14.7782 16.2191 16.2191 17.5914 17.5914 17.7545 17.7545 18.3840 18.3840 18.4545 18.4545 19.2289 19.2289 23.3546 23.3546 24.1445 24.1445 k = 0.4219 0.4240-0.0000 ( 1256 PWs) bands (ev): 5.9509 5.9509 6.6639 6.6639 7.6773 7.6773 8.7255 8.7255 9.6308 9.6308 12.6809 12.6809 12.8759 12.8759 13.9270 13.9270 14.7020 14.7020 16.1942 16.1942 17.6285 17.6285 17.8008 17.8008 18.4078 18.4078 18.5282 18.5282 19.2392 19.2392 23.3724 23.3724 23.9561 23.9561 k = 0.4167 0.4330-0.0000 ( 1256 PWs) bands (ev): 5.9578 5.9578 6.6803 6.6803 7.6436 7.6436 8.7702 8.7702 9.6258 9.6258 12.6913 12.6913 12.8304 12.8304 13.9669 13.9669 14.6280 14.6280 16.1654 16.1654 17.6449 17.6449 17.8667 17.8667 18.4133 18.4133 18.6206 18.6206 19.2538 19.2538 23.3894 23.3894 23.7661 23.7661 k = 0.4115 0.4420-0.0000 ( 1250 PWs) bands (ev): 5.9646 5.9646 6.6976 6.6976 7.6093 7.6093 8.8176 8.8176 9.6206 9.6206 12.6535 12.6535 12.8300 12.8300 14.0124 14.0124 14.5564 14.5564 16.1325 16.1325 17.6512 17.6512 17.9415 17.9415 18.4156 18.4156 18.7138 18.7138 19.2749 19.2749 23.4028 23.4028 23.5779 23.5779 k = 0.4062 0.4511-0.0000 ( 1250 PWs) bands (ev): 5.9711 5.9711 6.7155 6.7155 7.5746 7.5746 8.8675 8.8675 9.6152 9.6152 12.5824 12.5824 12.8606 12.8606 14.0627 14.0627 14.4875 14.4875 16.0955 16.0955 17.6531 17.6531 18.0193 18.0193 18.4170 18.4170 18.8016 18.8016 19.3060 19.3060 23.3571 23.3571 23.4473 23.4473 k = 0.4010 0.4601-0.0000 ( 1250 PWs) bands (ev): 5.9774 5.9774 6.7342 6.7342 7.5398 7.5398 8.9196 8.9196 9.6096 9.6096 12.5002 12.5002 12.9010 12.9010 14.1169 14.1169 14.4217 14.4217 16.0544 16.0544 17.6531 17.6531 18.0974 18.0974 18.4181 18.4181 18.8785 18.8785 19.3514 19.3514 23.1773 23.1773 23.4496 23.4496 k = 0.3958 0.4691-0.0000 ( 1250 PWs) bands (ev): 5.9833 5.9833 6.7534 6.7534 7.5052 7.5052 8.9736 8.9736 9.6041 9.6041 12.4136 12.4136 12.9448 12.9448 14.1737 14.1737 14.3602 14.3602 16.0091 16.0091 17.6524 17.6524 18.1742 18.1742 18.4193 18.4193 18.9401 18.9401 19.4150 19.4150 22.9860 22.9860 23.4625 23.4625 k = 0.3906 0.4781-0.0000 ( 1252 PWs) bands (ev): 5.9888 5.9888 6.7730 6.7730 7.4710 7.4710 9.0290 9.0290 9.5987 9.5987 12.3252 12.3252 12.9899 12.9899 14.2265 14.2265 14.3093 14.3093 15.9598 15.9598 17.6515 17.6515 18.2486 18.2486 18.4209 18.4209 18.9851 18.9851 19.4974 19.4974 22.7942 22.7942 23.4755 23.4755 k = 0.3854 0.4871-0.0000 ( 1252 PWs) bands (ev): 5.9940 5.9940 6.7930 6.7930 7.4373 7.4373 9.0852 9.0852 9.5936 9.5936 12.2367 12.2367 13.0352 13.0352 14.2237 14.2238 14.3205 14.3205 15.9065 15.9065 17.6508 17.6508 18.3184 18.3184 18.4243 18.4243 19.0161 19.0161 19.5958 19.5958 22.6034 22.6034 23.4871 23.4871 k = 0.3802 0.4962-0.0000 ( 1252 PWs) bands (ev): 5.9988 5.9988 6.8130 6.8130 7.4046 7.4046 9.1415 9.1415 9.5892 9.5892 12.1494 12.1494 13.0798 13.0798 14.1773 14.1773 14.3818 14.3818 15.8493 15.8493 17.6504 17.6504 18.3768 18.3768 18.4357 18.4357 19.0366 19.0366 19.7063 19.7063 22.4144 22.4144 23.4968 23.4968 k = 0.3750 0.5052-0.0000 ( 1254 PWs) bands (ev): 6.0031 6.0031 6.8329 6.8329 7.3731 7.3731 9.1969 9.1969 9.5856 9.5856 12.0643 12.0643 13.1230 13.1230 14.1298 14.1298 14.4509 14.4509 15.7885 15.7885 17.6505 17.6505 18.4036 18.4036 18.4744 18.4744 19.0500 19.0500 19.8251 19.8251 22.2277 22.2277 23.5042 23.5042 k = 0.3698 0.5142-0.0000 ( 1252 PWs) bands (ev): 6.0070 6.0070 6.8524 6.8524 7.3432 7.3432 9.2502 9.2502 9.5833 9.5833 11.9829 11.9829 13.1639 13.1639 14.0857 14.0857 14.5232 14.5232 15.7243 15.7243 17.6513 17.6513 18.4100 18.4100 18.5285 18.5285 19.0586 19.0586 19.9499 19.9499 22.0440 22.0440 23.5086 23.5086 k = 0.3646 0.5232-0.0000 ( 1252 PWs) bands (ev): 6.0104 6.0104 6.8712 6.8712 7.3153 7.3153 9.2998 9.2998 9.5828 9.5828 11.9065 11.9065 13.2016 13.2016 14.0463 14.0463 14.5975 14.5975 15.6571 15.6571 17.6526 17.6526 18.4122 18.4122 18.5811 18.5811 19.0639 19.0639 20.0788 20.0788 21.8640 21.8640 23.5095 23.5095 k = 0.3594 0.5322-0.0000 ( 1256 PWs) bands (ev): 6.0132 6.0132 6.8887 6.8887 7.2898 7.2898 9.3438 9.3438 9.5848 9.5848 11.8367 11.8367 13.2351 13.2351 14.0123 14.0123 14.6730 14.6730 15.5875 15.5875 17.6546 17.6546 18.4132 18.4132 18.6282 18.6282 19.0669 19.0669 20.2106 20.2106 21.6881 21.6881 23.5065 23.5065 k = 0.3542 0.5413-0.0000 ( 1252 PWs) bands (ev): 6.0157 6.0157 6.9046 6.9046 7.2675 7.2675 9.3803 9.3803 9.5897 9.5897 11.7754 11.7754 13.2635 13.2635 13.9844 13.9844 14.7488 14.7488 15.5166 15.5166 17.6570 17.6570 18.4137 18.4137 18.6684 18.6684 19.0684 19.0684 20.3447 20.3447 21.5173 21.5173 23.5000 23.5000 k = 0.3490 0.5503-0.0000 ( 1256 PWs) bands (ev): 6.0175 6.0175 6.9180 6.9180 7.2489 7.2489 9.4076 9.4076 9.5974 9.5974 11.7244 11.7244 13.2860 13.2860 13.9630 13.9630 14.8229 14.8229 15.4461 15.4461 17.6597 17.6597 18.4140 18.4140 18.7006 18.7006 19.0688 19.0688 20.4803 20.4803 21.3522 21.3522 23.4911 23.4911 k = 0.3438 0.5593-0.0000 ( 1260 PWs) bands (ev): 6.0189 6.0189 6.9282 6.9282 7.2349 7.2349 9.4257 9.4257 9.6064 9.6064 11.6858 11.6858 13.3019 13.3019 13.9484 13.9484 14.8917 14.8917 15.3798 15.3798 17.6623 17.6623 18.4141 18.4141 18.7242 18.7242 19.0685 19.0685 20.6167 20.6167 21.1939 21.1939 23.4823 23.4823 k = 0.3385 0.5683-0.0000 ( 1268 PWs) bands (ev): 6.0197 6.0197 6.9346 6.9346 7.2263 7.2263 9.4355 9.4355 9.6139 9.6139 11.6615 11.6615 13.3111 13.3111 13.9402 13.9402 14.9463 14.9463 15.3266 15.3266 17.6644 17.6644 18.4142 18.4142 18.7385 18.7385 19.0682 19.0682 20.7525 20.7525 21.0445 21.0445 23.4758 23.4758 k = 0.3333 0.5774-0.0000 ( 1272 PWs) bands (ev): 6.0200 6.0200 6.9367 6.9367 7.2235 7.2235 9.4385 9.4385 9.6168 9.6168 11.6531 11.6531 13.3141 13.3141 13.9377 13.9377 14.9691 14.9691 15.3042 15.3042 17.6653 17.6653 18.4142 18.4142 18.7433 18.7433 19.0680 19.0680 20.8589 20.8589 20.9334 20.9334 23.4735 23.4735 k = 0.3333 0.5774-0.0000 ( 1272 PWs) bands (ev): 6.0200 6.0200 6.9367 6.9367 7.2235 7.2235 9.4385 9.4385 9.6168 9.6168 11.6531 11.6531 13.3141 13.3141 13.9377 13.9377 14.9691 14.9691 15.3042 15.3042 17.6653 17.6653 18.4142 18.4142 18.7433 18.7433 19.0680 19.0680 20.8589 20.8589 20.9334 20.9334 23.4735 23.4735 k = 0.3280 0.5682-0.0000 ( 1268 PWs) bands (ev): 6.0197 6.0197 6.9347 6.9347 7.2263 7.2263 9.4355 9.4355 9.6135 9.6135 11.6620 11.6620 13.3114 13.3114 13.9398 13.9398 14.9447 14.9447 15.3282 15.3282 17.6640 17.6640 18.4142 18.4142 18.7385 18.7385 19.0682 19.0682 20.7549 20.7549 21.0426 21.0426 23.4760 23.4760 k = 0.3228 0.5590-0.0000 ( 1264 PWs) bands (ev): 6.0188 6.0188 6.9290 6.9290 7.2343 7.2343 9.4258 9.4258 9.6037 9.6037 11.6891 11.6891 13.3041 13.3041 13.9450 13.9450 14.8837 14.8837 15.3881 15.3881 17.6595 17.6595 18.4142 18.4142 18.7245 18.7245 19.0690 19.0690 20.6315 20.6315 21.1819 21.1819 23.4831 23.4831 k = 0.3175 0.5499-0.0000 ( 1264 PWs) bands (ev): 6.0173 6.0173 6.9208 6.9208 7.2465 7.2465 9.4078 9.4078 9.5899 9.5899 11.7339 11.7339 13.2934 13.2934 13.9518 13.9518 14.8040 14.8040 15.4659 15.4659 17.6502 17.6502 18.4141 18.4141 18.7022 18.7022 19.0702 19.0702 20.5182 20.5182 21.3228 21.3228 23.4937 23.4937 k = 0.3122 0.5407-0.0000 ( 1268 PWs) bands (ev): 6.0152 6.0152 6.9108 6.9108 7.2619 7.2619 9.3788 9.3788 9.5757 9.5757 11.7957 11.7957 13.2804 13.2804 13.9585 13.9585 14.7150 14.7150 15.5526 15.5526 17.6347 17.6347 18.4141 18.4141 18.6729 18.6729 19.0720 19.0720 20.4175 20.4175 21.4638 21.4638 23.5059 23.5059 k = 0.3069 0.5315-0.0000 ( 1269 PWs) bands (ev): 6.0123 6.0123 6.9002 6.9002 7.2796 7.2796 9.3370 9.3370 9.5642 9.5642 11.8729 11.8729 13.2661 13.2661 13.9641 13.9641 14.6206 14.6206 15.6443 15.6443 17.6115 17.6115 18.4141 18.4141 18.6376 18.6376 19.0745 19.0745 20.3305 20.3305 21.6045 21.6045 23.5179 23.5179 k = 0.3016 0.5224-0.0000 ( 1259 PWs) bands (ev): 6.0090 6.0090 6.8895 6.8895 7.2989 7.2989 9.2827 9.2827 9.5570 9.5570 11.9642 11.9642 13.2512 13.2512 13.9673 13.9673 14.5229 14.5229 15.7392 15.7392 17.5790 17.5790 18.4141 18.4141 18.5974 18.5974 19.0780 19.0780 20.2585 20.2585 21.7447 21.7447 23.5283 23.5283 k = 0.2963 0.5132-0.0000 ( 1255 PWs) bands (ev): 6.0048 6.0048 6.8793 6.8793 7.3192 7.3192 9.2180 9.2180 9.5538 9.5538 12.0677 12.0677 13.2364 13.2364 13.9673 13.9673 14.4230 14.4230 15.8362 15.8362 17.5364 17.5364 18.4141 18.4141 18.5529 18.5529 19.0827 19.0827 20.2026 20.2026 21.8839 21.8839 23.5364 23.5364 k = 0.2910 0.5040-0.0000 ( 1255 PWs) bands (ev): 5.9998 5.9998 6.8699 6.8699 7.3401 7.3401 9.1450 9.1450 9.5537 9.5537 12.1820 12.1820 13.2221 13.2221 13.9633 13.9633 14.3218 14.3218 15.9348 15.9348 17.4832 17.4832 18.4135 18.4135 18.5050 18.5050 19.0889 19.0889 20.1635 20.1635 22.0220 22.0220 23.5424 23.5424 k = 0.2857 0.4949-0.0000 ( 1259 PWs) bands (ev): 5.9940 5.9940 6.8617 6.8617 7.3612 7.3612 9.0660 9.0660 9.5563 9.5563 12.3058 12.3058 13.2086 13.2086 13.9547 13.9547 14.2199 14.2199 16.0346 16.0346 17.4197 17.4197 18.4096 18.4096 18.4562 18.4562 19.0966 19.0966 20.1420 20.1420 22.1586 22.1586 23.5467 23.5467 k = 0.2804 0.4857-0.0000 ( 1257 PWs) bands (ev): 5.9874 5.9874 6.8549 6.8549 7.3821 7.3821 8.9827 8.9827 9.5611 9.5611 12.4376 12.4376 13.1962 13.1962 13.9405 13.9405 14.1185 14.1185 16.1351 16.1351 17.3466 17.3466 18.3811 18.3811 18.4278 18.4278 19.1059 19.1059 20.1383 20.1383 22.2934 22.2934 23.5500 23.5500 k = 0.2751 0.4765-0.0000 ( 1257 PWs) bands (ev): 5.9799 5.9799 6.8496 6.8496 7.4026 7.4026 8.8965 8.8965 9.5677 9.5677 12.5762 12.5762 13.1852 13.1852 13.9180 13.9180 14.0206 14.0206 16.2360 16.2360 17.2655 17.2655 18.3233 18.3233 18.4241 18.4241 19.1164 19.1164 20.1525 20.1525 22.4261 22.4261 23.5527 23.5527 k = 0.2698 0.4674-0.0000 ( 1257 PWs) bands (ev): 5.9714 5.9714 6.8459 6.8459 7.4223 7.4223 8.8087 8.8087 9.5760 9.5760 12.7204 12.7204 13.1760 13.1760 13.8738 13.8738 13.9401 13.9401 16.3369 16.3369 17.1777 17.1777 18.2572 18.2572 18.4244 18.4244 19.1275 19.1275 20.1842 20.1842 22.5563 22.5563 23.5553 23.5553 k = 0.2646 0.4582-0.0000 ( 1257 PWs) bands (ev): 5.9619 5.9619 6.8440 6.8440 7.4409 7.4409 8.7205 8.7205 9.5859 9.5859 12.8678 12.8678 13.1692 13.1692 13.7916 13.7916 13.8941 13.8941 16.4373 16.4373 17.0848 17.0848 18.1861 18.1861 18.4258 18.4258 19.1388 19.1388 20.2328 20.2328 22.6836 22.6836 23.5582 23.5582 k = 0.2593 0.4491-0.0000 ( 1259 PWs) bands (ev): 5.9513 5.9513 6.8439 6.8439 7.4579 7.4579 8.6330 8.6330 9.5973 9.5973 13.0124 13.0124 13.1690 13.1690 13.6981 13.6981 13.8579 13.8579 16.5365 16.5365 16.9884 16.9884 18.1115 18.1115 18.4277 18.4277 19.1500 19.1500 20.2973 20.2973 22.8075 22.8075 23.5617 23.5617 k = 0.2540 0.4399-0.0000 ( 1259 PWs) bands (ev): 5.9396 5.9396 6.8457 6.8457 7.4728 7.4728 8.5470 8.5470 9.6101 9.6101 13.1125 13.1125 13.2112 13.2112 13.6100 13.6100 13.8200 13.8200 16.6332 16.6332 16.8902 16.8902 18.0346 18.0346 18.4300 18.4300 19.1607 19.1607 20.3764 20.3764 22.9276 22.9276 23.5662 23.5662 k = 0.2487 0.4307-0.0000 ( 1259 PWs) bands (ev): 5.9266 5.9266 6.8494 6.8494 7.4851 7.4851 8.4639 8.4639 9.6243 9.6243 13.1265 13.1265 13.3119 13.3119 13.5544 13.5544 13.7787 13.7787 16.7223 16.7223 16.7953 16.7953 17.9573 17.9573 18.4326 18.4326 19.1709 19.1709 20.4689 20.4689 23.0432 23.0432 23.5722 23.5722 k = 0.2434 0.4216-0.0000 ( 1259 PWs) bands (ev): 5.9123 5.9123 6.8550 6.8550 7.4938 7.4938 8.3848 8.3848 9.6399 9.6399 13.1215 13.1215 13.3229 13.3229 13.6124 13.6124 13.7342 13.7342 16.6849 16.6849 16.8211 16.8211 17.8821 17.8821 18.4354 18.4354 19.1806 19.1806 20.5733 20.5733 23.1535 23.1535 23.5801 23.5801 k = 0.2381 0.4124-0.0000 ( 1259 PWs) bands (ev): 5.8965 5.8965 6.8627 6.8627 7.4980 7.4980 8.3111 8.3111 9.6567 9.6567 13.1074 13.1074 13.2608 13.2608 13.6849 13.6849 13.7589 13.7589 16.5875 16.5875 16.8987 16.8987 17.8130 17.8130 18.4386 18.4386 19.1897 19.1897 20.6883 20.6883 23.2575 23.2575 23.5908 23.5908 k = 0.2328 0.4032-0.0000 ( 1267 PWs) bands (ev): 5.8792 5.8792 6.8723 6.8723 7.4964 7.4964 8.2443 8.2443 9.6748 9.6748 13.0735 13.0735 13.2005 13.2005 13.6352 13.6352 13.9254 13.9254 16.4900 16.4900 16.9628 16.9628 17.7560 17.7560 18.4420 18.4420 19.1984 19.1984 20.8128 20.8128 23.3532 23.3532 23.6058 23.6058 k = 0.2275 0.3941-0.0000 ( 1267 PWs) bands (ev): 5.8602 5.8602 6.8838 6.8838 7.4880 7.4880 8.1861 8.1861 9.6942 9.6942 13.0083 13.0083 13.1660 13.1660 13.5837 13.5837 14.1004 14.1004 16.3943 16.3943 17.0042 17.0042 17.7198 17.7198 18.4458 18.4458 19.2068 19.2068 20.9455 20.9455 23.4374 23.4374 23.6283 23.6283 k = 0.2222 0.3849-0.0000 ( 1267 PWs) bands (ev): 5.8393 5.8393 6.8974 6.8974 7.4715 7.4715 8.1377 8.1377 9.7148 9.7148 12.9245 12.9245 13.1467 13.1467 13.5328 13.5328 14.2799 14.2799 16.3010 16.3010 17.0141 17.0141 17.7130 17.7130 18.4498 18.4498 19.2150 19.2150 21.0855 21.0855 23.5047 23.5047 23.6631 23.6631 k = 0.2169 0.3757-0.0000 ( 1267 PWs) bands (ev): 5.8167 5.8167 6.9129 6.9129 7.4466 7.4466 8.1000 8.1000 9.7365 9.7365 12.8346 12.8346 13.1289 13.1289 13.4851 13.4851 14.4625 14.4625 16.2103 16.2103 16.9897 16.9897 17.7386 17.7386 18.4541 18.4541 19.2231 19.2231 21.2318 21.2318 23.5521 23.5521 23.7133 23.7133 k = 0.2116 0.3666-0.0000 ( 1267 PWs) bands (ev): 5.7919 5.7919 6.9303 6.9303 7.4135 7.4135 8.0728 8.0728 9.7594 9.7594 12.7433 12.7433 13.1054 13.1054 13.4441 13.4441 14.6472 14.6472 16.1227 16.1227 16.9363 16.9363 17.7913 17.7913 18.4586 18.4586 19.2311 19.2311 21.3835 21.3835 23.5849 23.5849 23.7728 23.7728 k = 0.2063 0.3574-0.0000 ( 1267 PWs) bands (ev): 5.7651 5.7651 6.9496 6.9496 7.3735 7.3735 8.0553 8.0553 9.7834 9.7834 12.6522 12.6522 13.0718 13.0718 13.4131 13.4131 14.8335 14.8335 16.0382 16.0382 16.8628 16.8628 17.8626 17.8626 18.4635 18.4635 19.2391 19.2391 21.5398 21.5398 23.6112 23.6112 23.8336 23.8336 k = 0.2011 0.3482-0.0000 ( 1271 PWs) bands (ev): 5.7361 5.7361 6.9707 6.9707 7.3283 7.3283 8.0458 8.0458 9.8084 9.8084 12.5622 12.5622 13.0260 13.0260 13.3938 13.3938 15.0209 15.0209 15.9570 15.9570 16.7763 16.7763 17.9453 17.9453 18.4686 18.4686 19.2472 19.2472 21.7000 21.7000 23.6356 23.6356 23.8907 23.8907 k = 0.1958 0.3391-0.0000 ( 1271 PWs) bands (ev): 5.7047 5.7047 6.9934 6.9934 7.2800 7.2800 8.0428 8.0428 9.8343 9.8343 12.4738 12.4738 12.9689 12.9689 13.3855 13.3855 15.2089 15.2089 15.8792 15.8792 16.6815 16.6815 18.0347 18.0347 18.4740 18.4740 19.2555 19.2555 21.8633 21.8633 23.6602 23.6602 23.9420 23.9420 k = 0.1905 0.3299-0.0000 ( 1269 PWs) bands (ev): 5.6710 5.6710 7.0175 7.0175 7.2306 7.2306 8.0446 8.0446 9.8612 9.8612 12.3871 12.3871 12.9029 12.9029 13.3861 13.3861 15.3967 15.3967 15.8048 15.8048 16.5816 16.5816 18.1279 18.1279 18.4797 18.4797 19.2640 19.2640 22.0292 22.0292 23.6859 23.6859 23.9862 23.9862 k = 0.1852 0.3208-0.0000 ( 1265 PWs) bands (ev): 5.6350 5.6350 7.0419 7.0419 7.1821 7.1821 8.0501 8.0501 9.8889 9.8889 12.3025 12.3025 12.8304 12.8304 13.3932 13.3932 15.5829 15.5829 15.7347 15.7347 16.4789 16.4789 18.2231 18.2231 18.4857 18.4857 19.2728 19.2728 22.1968 22.1968 23.7134 23.7134 24.0229 24.0229 k = 0.1799 0.3116-0.0000 ( 1265 PWs) bands (ev): 5.5967 5.5967 7.0625 7.0625 7.1401 7.1401 8.0582 8.0582 9.9174 9.9174 12.2200 12.2200 12.7534 12.7534 13.4051 13.4051 15.6626 15.6626 15.7721 15.7721 16.3755 16.3755 18.3188 18.3188 18.4920 18.4920 19.2820 19.2820 22.3656 22.3656 23.7429 23.7429 24.0516 24.0516 k = 0.1746 0.3024-0.0000 ( 1263 PWs) bands (ev): 5.5561 5.5561 7.0572 7.0572 7.1273 7.1273 8.0681 8.0681 9.9466 9.9466 12.1398 12.1398 12.6734 12.6734 13.4206 13.4206 15.5996 15.5996 15.9474 15.9474 16.2777 16.2777 18.4139 18.4139 18.4991 18.4991 19.2916 19.2916 22.5349 22.5349 23.7743 23.7743 24.0723 24.0723 k = 0.1693 0.2933-0.0000 ( 1263 PWs) bands (ev): 5.5133 5.5133 7.0211 7.0211 7.1487 7.1487 8.0793 8.0793 9.9764 9.9764 12.0619 12.0619 12.5914 12.5914 13.4389 13.4389 15.5383 15.5383 16.0664 16.0664 16.2355 16.2355 18.4961 18.4961 18.5182 18.5182 19.3018 19.3018 22.7039 22.7039 23.8075 23.8075 24.0850 24.0850 k = 0.1640 0.2841-0.0000 ( 1263 PWs) bands (ev): 5.4686 5.4686 6.9800 6.9800 7.1794 7.1794 8.0913 8.0913 10.0067 10.0067 11.9866 11.9866 12.5083 12.5083 13.4593 13.4593 15.4800 15.4800 16.0126 16.0126 16.3642 16.3642 18.5099 18.5099 18.6042 18.6042 19.3129 19.3129 22.8719 22.8719 23.8421 23.8421 24.0901 24.0901 k = 0.1587 0.2749-0.0000 ( 1267 PWs) bands (ev): 5.4221 5.4221 6.9397 6.9397 7.2132 7.2132 8.1038 8.1038 10.0374 10.0374 11.9138 11.9138 12.4246 12.4246 13.4815 13.4815 15.4245 15.4245 15.9119 15.9119 16.5376 16.5376 18.5176 18.5176 18.6944 18.6944 19.3249 19.3249 23.0380 23.0380 23.8771 23.8771 24.0882 24.0882 k = 0.1534 0.2658-0.0000 ( 1267 PWs) bands (ev): 5.3740 5.3740 6.9016 6.9016 7.2490 7.2490 8.1166 8.1166 10.0685 10.0685 11.8437 11.8437 12.3410 12.3410 13.5049 13.5049 15.3717 15.3717 15.8053 15.8053 16.7149 16.7149 18.5251 18.5251 18.7819 18.7819 19.3383 19.3383 23.2012 23.2012 23.9104 23.9104 24.0808 24.0808 k = 0.1481 0.2566-0.0000 ( 1267 PWs) bands (ev): 5.3247 5.3247 6.8659 6.8659 7.2864 7.2864 8.1295 8.1295 10.0997 10.0997 11.7762 11.7762 12.2579 12.2579 13.5294 13.5294 15.3214 15.3214 15.6977 15.6977 16.8911 16.8911 18.5327 18.5327 18.8657 18.8657 19.3534 19.3534 23.3604 23.3604 23.9379 23.9379 24.0713 24.0713 k = 0.1429 0.2474-0.0000 ( 1267 PWs) bands (ev): 5.2744 5.2744 6.8328 6.8328 7.3251 7.3251 8.1423 8.1423 10.1311 10.1311 11.7115 11.7115 12.1756 12.1756 13.5545 13.5545 15.2731 15.2731 15.5908 15.5908 17.0646 17.0646 18.5405 18.5405 18.9449 18.9449 19.3710 19.3710 23.5134 23.5134 23.9517 23.9517 24.0675 24.0675 k = 0.1376 0.2383-0.0000 ( 1267 PWs) bands (ev): 5.2234 5.2234 6.8022 6.8022 7.3649 7.3649 8.1550 8.1550 10.1623 10.1623 11.6495 11.6495 12.0946 12.0946 13.5802 13.5802 15.2261 15.2261 15.4861 15.4861 17.2346 17.2346 18.5487 18.5487 19.0182 19.0182 19.3919 19.3919 23.6565 23.6565 23.9461 23.9461 24.0766 24.0766 k = 0.1323 0.2291-0.0000 ( 1267 PWs) bands (ev): 5.1720 5.1720 6.7740 6.7740 7.4057 7.4057 8.1674 8.1674 10.1934 10.1934 11.5904 11.5904 12.0152 12.0152 13.6061 13.6061 15.1786 15.1786 15.3855 15.3855 17.4004 17.4004 18.5572 18.5572 19.0842 19.0842 19.4174 19.4174 23.7759 23.7759 23.9357 23.9357 24.0961 24.0961 k = 0.1270 0.2199-0.0000 ( 1265 PWs) bands (ev): 5.1205 5.1205 6.7481 6.7481 7.4473 7.4473 8.1795 8.1795 10.2242 10.2242 11.5340 11.5340 11.9376 11.9376 13.6319 13.6319 15.1269 15.1269 15.2932 15.2932 17.5613 17.5613 18.5661 18.5661 19.1417 19.1417 19.4485 19.4485 23.8184 23.8184 23.9743 23.9743 24.1250 24.1250 k = 0.1217 0.2108-0.0000 ( 1267 PWs) bands (ev): 5.0691 5.0691 6.7244 6.7244 7.4895 7.4895 8.1912 8.1912 10.2544 10.2544 11.4806 11.4806 11.8622 11.8622 13.6575 13.6575 15.0643 15.0643 15.2160 15.2160 17.7167 17.7167 18.5756 18.5756 19.1897 19.1897 19.4859 19.4859 23.7885 23.7885 24.0426 24.0426 24.1793 24.1793 k = 0.1164 0.2016-0.0000 ( 1267 PWs) bands (ev): 5.0182 5.0182 6.7026 6.7026 7.5322 7.5322 8.2026 8.2026 10.2841 10.2841 11.4299 11.4299 11.7893 11.7893 13.6826 13.6826 14.9865 14.9865 15.1587 15.1587 17.8657 17.8657 18.5859 18.5859 19.2286 19.2286 19.5292 19.5292 23.7391 23.7391 24.0792 24.0792 24.2694 24.2694 k = 0.1111 0.1925-0.0000 ( 1279 PWs) bands (ev): 4.9680 4.9680 6.6827 6.6827 7.5751 7.5751 8.2136 8.2136 10.3129 10.3129 11.3820 11.3820 11.7190 11.7190 13.7069 13.7069 14.8978 14.8978 15.1171 15.1171 18.0073 18.0073 18.5977 18.5977 19.2597 19.2597 19.5768 19.5768 23.6822 23.6822 24.0962 24.0962 24.3737 24.3737 k = 0.1058 0.1833-0.0000 ( 1279 PWs) bands (ev): 4.9188 4.9188 6.6644 6.6644 7.6181 7.6181 8.2243 8.2243 10.3407 10.3407 11.3369 11.3369 11.6517 11.6517 13.7303 13.7303 14.8044 14.8044 15.0852 15.0852 18.1402 18.1402 18.6117 18.6117 19.2850 19.2850 19.6271 19.6271 23.6210 23.6210 24.1058 24.1058 24.4797 24.4797 k = 0.1005 0.1741-0.0000 ( 1281 PWs) bands (ev): 4.8707 4.8707 6.6478 6.6478 7.6609 7.6609 8.2347 8.2347 10.3673 10.3673 11.2945 11.2945 11.5877 11.5877 13.7525 13.7525 14.7100 14.7100 15.0595 15.0595 18.2620 18.2620 18.6300 18.6300 19.3060 19.3060 19.6782 19.6782 23.5569 23.5569 24.1114 24.1114 24.5849 24.5849 k = 0.0952 0.1650-0.0000 ( 1281 PWs) bands (ev): 4.8241 4.8241 6.6326 6.6326 7.7033 7.7033 8.2448 8.2448 10.3926 10.3926 11.2546 11.2546 11.5272 11.5272 13.7733 13.7733 14.6166 14.6166 15.0385 15.0385 18.3686 18.3686 18.6562 18.6562 19.3240 19.3240 19.7290 19.7290 23.4911 23.4911 24.1140 24.1140 24.6889 24.6889 k = 0.0899 0.1558-0.0000 ( 1287 PWs) bands (ev): 4.7790 4.7790 6.6187 6.6187 7.7450 7.7450 8.2546 8.2546 10.4164 10.4164 11.2172 11.2172 11.4706 11.4706 13.7924 13.7924 14.5252 14.5252 15.0213 15.0213 18.4532 18.4532 18.6966 18.6966 19.3401 19.3401 19.7784 19.7784 23.4242 23.4242 24.1135 24.1135 24.7918 24.7918 k = 0.0847 0.1466-0.0000 ( 1287 PWs) bands (ev): 4.7357 4.7357 6.6061 6.6061 7.7857 7.7857 8.2643 8.2643 10.4384 10.4384 11.1818 11.1818 11.4183 11.4183 13.8097 13.8097 14.4366 14.4366 15.0075 15.0075 18.5108 18.5108 18.7560 18.7560 19.3549 19.3549 19.8262 19.8262 23.3571 23.3571 24.1096 24.1096 24.8936 24.8936 k = 0.0794 0.1375-0.0000 ( 1283 PWs) bands (ev): 4.6944 4.6944 6.5946 6.5946 7.8252 7.8252 8.2740 8.2740 10.4587 10.4587 11.1484 11.1484 11.3705 11.3705 13.8250 13.8250 14.3513 14.3513 14.9967 14.9967 18.5461 18.5461 18.8293 18.8293 19.3687 19.3687 19.8719 19.8719 23.2904 23.2904 24.1019 24.1019 24.9939 24.9939 k = 0.0741 0.1283-0.0000 ( 1291 PWs) bands (ev): 4.6551 4.6551 6.5842 6.5842 7.8630 7.8630 8.2836 8.2836 10.4770 10.4770 11.1165 11.1165 11.3278 11.3278 13.8378 13.8378 14.2701 14.2701 14.9886 14.9886 18.5683 18.5683 18.9073 18.9073 19.3818 19.3818 19.9154 19.9154 23.2248 23.2248 24.0902 24.0902 25.0921 25.0921 k = 0.0688 0.1191-0.0000 ( 1297 PWs) bands (ev): 4.6180 4.6180 6.5748 6.5748 7.8990 7.8990 8.2933 8.2933 10.4932 10.4932 11.0859 11.0859 11.2903 11.2903 13.8478 13.8478 14.1938 14.1938 14.9830 14.9830 18.5835 18.5835 18.9833 18.9833 19.3946 19.3946 19.9567 19.9567 23.1609 23.1609 24.0745 24.0745 25.1875 25.1875 k = 0.0635 0.1100-0.0000 ( 1293 PWs) bands (ev): 4.5832 4.5832 6.5663 6.5663 7.9328 7.9328 8.3032 8.3032 10.5074 10.5074 11.0564 11.0564 11.2582 11.2582 13.8541 13.8541 14.1237 14.1237 14.9796 14.9796 18.5949 18.5949 19.0541 19.0541 19.4072 19.4072 19.9956 19.9956 23.0993 23.0993 24.0551 24.0551 25.2795 25.2795 k = 0.0582 0.1008-0.0000 ( 1293 PWs) bands (ev): 4.5508 4.5508 6.5587 6.5587 7.9641 7.9641 8.3133 8.3133 10.5195 10.5195 11.0280 11.0280 11.2315 11.2315 13.8548 13.8548 14.0620 14.0620 14.9780 14.9780 18.6041 18.6041 19.1183 19.1183 19.4198 19.4198 20.0321 20.0321 23.0404 23.0404 24.0327 24.0327 25.3677 25.3677 k = 0.0529 0.0916-0.0000 ( 1289 PWs) bands (ev): 4.5210 4.5210 6.5519 6.5519 7.9926 7.9926 8.3236 8.3236 10.5296 10.5296 11.0007 11.0007 11.2099 11.2099 13.8468 13.8468 14.0123 14.0123 14.9780 14.9780 18.6117 18.6117 19.1750 19.1750 19.4324 19.4324 20.0663 20.0663 22.9848 22.9848 24.0082 24.0082 25.4524 25.4524 k = 0.0476 0.0825-0.0000 ( 1289 PWs) bands (ev): 4.4938 4.4938 6.5458 6.5458 8.0181 8.0181 8.3341 8.3341 10.5379 10.5379 10.9748 10.9748 11.1927 11.1927 13.8262 13.8262 13.9788 13.9788 14.9792 14.9792 18.6182 18.6182 19.2240 19.2240 19.4453 19.4453 20.0979 20.0979 22.9330 22.9330 23.9824 23.9824 25.5342 25.5342 k = 0.0423 0.0733-0.0000 ( 1293 PWs) bands (ev): 4.4692 4.4692 6.5405 6.5405 8.0406 8.0406 8.3446 8.3446 10.5444 10.5444 10.9507 10.9507 11.1795 11.1795 13.7942 13.7942 13.9610 13.9610 14.9813 14.9813 18.6237 18.6237 19.2653 19.2653 19.4585 19.4585 20.1269 20.1269 22.8854 22.8854 23.9564 23.9564 25.6135 25.6135 k = 0.0370 0.0642-0.0000 ( 1293 PWs) bands (ev): 4.4474 4.4474 6.5359 6.5359 8.0599 8.0599 8.3551 8.3551 10.5496 10.5496 10.9288 10.9288 11.1695 11.1695 13.7569 13.7569 13.9531 13.9531 14.9840 14.9840 18.6285 18.6285 19.2992 19.2992 19.4717 19.4717 20.1531 20.1531 22.8423 22.8423 23.9312 23.9312 25.6905 25.6905 k = 0.0317 0.0550-0.0000 ( 1293 PWs) bands (ev): 4.4284 4.4284 6.5319 6.5319 8.0762 8.0762 8.3651 8.3651 10.5534 10.5534 10.9092 10.9092 11.1622 11.1622 13.7199 13.7199 13.9499 13.9499 14.9870 14.9870 18.6325 18.6325 19.3261 19.3261 19.4848 19.4848 20.1763 20.1763 22.8043 22.8043 23.9076 23.9076 25.7645 25.7645 k = 0.0265 0.0458-0.0000 ( 1293 PWs) bands (ev): 4.4122 4.4122 6.5286 6.5286 8.0896 8.0896 8.3744 8.3744 10.5563 10.5563 10.8924 10.8924 11.1570 11.1570 13.6863 13.6863 13.9488 13.9488 14.9900 14.9900 18.6359 18.6359 19.3471 19.3471 19.4972 19.4972 20.1963 20.1963 22.7715 22.7715 23.8864 23.8864 25.8344 25.8344 k = 0.0212 0.0367-0.0000 ( 1293 PWs) bands (ev): 4.3990 4.3990 6.5259 6.5259 8.1002 8.1002 8.3826 8.3826 10.5583 10.5583 10.8783 10.8783 11.1534 11.1534 13.6575 13.6575 13.9486 13.9486 14.9928 14.9928 18.6387 18.6387 19.3628 19.3628 19.5083 19.5083 20.2130 20.2130 22.7443 22.7443 23.8682 23.8682 25.8980 25.8980 k = 0.0159 0.0275-0.0000 ( 1293 PWs) bands (ev): 4.3886 4.3886 6.5239 6.5239 8.1082 8.1082 8.3894 8.3894 10.5596 10.5596 10.8673 10.8673 11.1510 11.1510 13.6346 13.6346 13.9487 13.9487 14.9953 14.9953 18.6408 18.6408 19.3741 19.3741 19.5175 19.5175 20.2261 20.2261 22.7229 22.7229 23.8536 23.8536 25.9526 25.9526 k = 0.0106 0.0183-0.0000 ( 1293 PWs) bands (ev): 4.3812 4.3812 6.5224 6.5224 8.1137 8.1137 8.3945 8.3945 10.5605 10.5605 10.8593 10.8593 11.1495 11.1495 13.6179 13.6179 13.9489 13.9489 14.9971 14.9971 18.6423 18.6423 19.3818 19.3818 19.5244 19.5244 20.2356 20.2356 22.7074 22.7074 23.8429 23.8429 25.9950 25.9950 k = 0.0053 0.0092-0.0000 ( 1289 PWs) bands (ev): 4.3768 4.3768 6.5216 6.5216 8.1170 8.1170 8.3976 8.3976 10.5610 10.5610 10.8545 10.8545 11.1487 11.1487 13.6078 13.6078 13.9490 13.9490 14.9983 14.9983 18.6433 18.6433 19.3862 19.3862 19.5286 19.5286 20.2414 20.2414 22.6981 22.6981 23.8363 23.8363 26.0221 26.0222 k = 0.0000 0.0000 0.0000 ( 1289 PWs) bands (ev): 4.3753 4.3753 6.5213 6.5213 8.1181 8.1181 8.3987 8.3987 10.5611 10.5611 10.8529 10.8529 11.1484 11.1484 13.6044 13.6044 13.9490 13.9490 14.9987 14.9987 18.6436 18.6436 19.3877 19.3877 19.5300 19.5300 20.2433 20.2433 22.6950 22.6950 23.8341 23.8341 26.0314 26.0315 k = 0.0000 0.0000 0.0000 ( 1289 PWs) bands (ev): 4.3753 4.3753 6.5213 6.5213 8.1181 8.1181 8.3987 8.3987 10.5611 10.5611 10.8529 10.8529 11.1484 11.1484 13.6044 13.6044 13.9490 13.9490 14.9987 14.9987 18.6436 18.6436 19.3877 19.3877 19.5300 19.5300 20.2433 20.2433 22.6950 22.6950 23.8341 23.8341 26.0315 26.0315 k = 0.0000 0.0000 0.0106 ( 1288 PWs) bands (ev): 4.3778 4.3778 6.5254 6.5254 8.1203 8.1203 8.4009 8.4009 10.5625 10.5625 10.8457 10.8457 11.1481 11.1481 13.6129 13.6129 13.9462 13.9462 14.9948 14.9948 18.6169 18.6169 19.3638 19.3638 19.5554 19.5554 20.2642 20.2642 22.6930 22.6930 23.8314 23.8314 26.0304 26.0304 k = 0.0000 0.0000 0.0212 ( 1288 PWs) bands (ev): 4.3852 4.3852 6.5377 6.5377 8.1269 8.1269 8.4077 8.4077 10.5665 10.5665 10.8238 10.8238 11.1476 11.1476 13.6379 13.6379 13.9379 13.9379 14.9831 14.9831 18.5444 18.5444 19.2980 19.2980 19.6240 19.6240 20.3212 20.3212 22.6870 22.6870 23.8233 23.8233 26.0272 26.0272 k = 0.0000 0.0000 0.0318 ( 1288 PWs) bands (ev): 4.3976 4.3976 6.5582 6.5582 8.1379 8.1379 8.4189 8.4189 10.5732 10.5732 10.7868 10.7868 11.1482 11.1482 13.6783 13.6783 13.9240 13.9240 14.9637 14.9637 18.4404 18.4404 19.2019 19.2019 19.7215 19.7215 20.4026 20.4026 22.6771 22.6771 23.8092 23.8092 26.0218 26.0218 k = 0.0000 0.0000 0.0424 ( 1288 PWs) bands (ev): 4.4147 4.4147 6.5870 6.5870 8.1532 8.1532 8.4345 8.4345 10.5825 10.5825 10.7352 10.7352 11.1514 11.1514 13.7326 13.7326 13.9047 13.9047 14.9368 14.9368 18.3167 18.3167 19.0855 19.0855 19.8362 19.8362 20.4987 20.4987 22.6632 22.6632 23.7885 23.7885 26.0144 26.0144 k = 0.0000 0.0000 0.0530 ( 1288 PWs) bands (ev): 4.4365 4.4365 6.6242 6.6242 8.1729 8.1729 8.4546 8.4546 10.5946 10.5946 10.6700 10.6700 11.1577 11.1577 13.7989 13.7989 13.8800 13.8800 14.9026 14.9026 18.1805 18.1805 18.9552 18.9552 19.9610 19.9610 20.6033 20.6033 22.6454 22.6454 23.7604 23.7604 26.0048 26.0048 k = 0.0000 0.0000 0.0637 ( 1288 PWs) bands (ev): 4.4628 4.4628 6.6699 6.6699 8.1970 8.1970 8.4791 8.4791 10.5927 10.5927 10.6093 10.6093 11.1674 11.1674 13.8502 13.8502 13.8750 13.8750 14.8612 14.8612 18.0360 18.0360 18.8149 18.8149 20.0918 20.0918 20.7126 20.7126 22.6239 22.6239 23.7237 23.7237 25.9931 25.9931 k = 0.0000 0.0000 0.0743 ( 1294 PWs) bands (ev): 4.4933 4.4933 6.7242 6.7242 8.2253 8.2253 8.5080 8.5080 10.5052 10.5052 10.6267 10.6267 11.1805 11.1805 13.8155 13.8155 13.9591 13.9591 14.8130 14.8130 17.8855 17.8855 18.6668 18.6668 20.2264 20.2264 20.8248 20.8248 22.5986 22.5986 23.6772 23.6772 25.9791 25.9791 k = 0.0000 0.0000 0.0849 ( 1282 PWs) bands (ev): 4.5279 4.5279 6.7873 6.7873 8.2578 8.2578 8.5412 8.5412 10.4094 10.4094 10.6468 10.6468 11.1969 11.1969 13.7759 13.7759 14.0492 14.0492 14.7583 14.7583 17.7306 17.7306 18.5125 18.5125 20.3635 20.3635 20.9385 20.9385 22.5697 22.5697 23.6196 23.6196 25.9633 25.9633 k = 0.0000 0.0000 0.0955 ( 1282 PWs) bands (ev): 4.5663 4.5663 6.8594 6.8594 8.2943 8.2943 8.5787 8.5787 10.3070 10.3070 10.6696 10.6696 11.2164 11.2164 13.7318 13.7318 14.1436 14.1436 14.6973 14.6973 17.5722 17.5722 18.3528 18.3528 20.5023 20.5023 21.0533 21.0533 22.5372 22.5372 23.5497 23.5497 25.9454 25.9454 k = 0.0000 0.0000 0.1061 ( 1288 PWs) bands (ev): 4.6083 4.6083 6.9403 6.9403 8.3349 8.3349 8.6204 8.6204 10.1993 10.1993 10.6952 10.6952 11.2389 11.2389 13.6834 13.6834 14.2407 14.2407 14.6305 14.6305 17.4110 17.4110 18.1886 18.1886 20.6422 20.6422 21.1686 21.1686 22.5013 22.5013 23.4664 23.4664 25.9255 25.9255 k = 0.0000 0.0000 0.1167 ( 1288 PWs) bands (ev): 4.6536 4.6536 7.0306 7.0306 8.3793 8.3793 8.6662 8.6662 10.0876 10.0876 10.7234 10.7234 11.2642 11.2642 13.6309 13.6309 14.3391 14.3391 14.5581 14.5581 17.2476 17.2476 18.0204 18.0204 20.7829 20.7829 21.2843 21.2843 22.4622 22.4622 23.3691 23.3691 25.9034 25.9034 k = 0.0000 0.0000 0.1273 ( 1288 PWs) bands (ev): 4.7020 4.7020 7.1302 7.1302 8.4273 8.4273 8.7161 8.7161 9.9732 9.9732 10.7544 10.7544 11.2924 11.2924 13.5746 13.5746 14.4374 14.4374 14.4805 14.4805 17.0824 17.0824 17.8487 17.8487 20.9242 20.9242 21.4002 21.4002 22.4198 22.4198 23.2577 23.2577 25.8793 25.8793 k = 0.0000 0.0000 0.1379 ( 1288 PWs) bands (ev): 4.7531 4.7531 7.2392 7.2392 8.4785 8.4785 8.7700 8.7700 9.8571 9.8571 10.7881 10.7881 11.3232 11.3232 13.5148 13.5148 14.3980 14.3980 14.5343 14.5343 16.9159 16.9159 17.6738 17.6738 21.0659 21.0659 21.5162 21.5162 22.3745 22.3745 23.1324 23.1324 25.8531 25.8531 k = 0.0000 0.0000 0.1485 ( 1294 PWs) bands (ev): 4.8069 4.8069 7.3575 7.3575 8.5325 8.5325 8.8278 8.8278 9.7404 9.7404 10.8246 10.8246 11.3568 11.3568 13.4518 13.4518 14.3109 14.3109 14.6285 14.6285 16.7483 16.7483 17.4963 17.4963 21.2078 21.2078 21.6324 21.6324 22.3263 22.3263 22.9941 22.9941 25.8247 25.8247 k = 0.0000 0.0000 0.1591 ( 1306 PWs) bands (ev): 4.8631 4.8631 7.4853 7.4853 8.5883 8.5883 8.8894 8.8894 9.6244 9.6244 10.8637 10.8637 11.3930 11.3930 13.3859 13.3859 14.2196 14.2196 14.7188 14.7188 16.5801 16.5801 17.3164 17.3164 21.3498 21.3498 21.7485 21.7485 22.2755 22.2755 22.8442 22.8442 25.7941 25.7941 k = 0.0000 0.0000 0.1697 ( 1294 PWs) bands (ev): 4.9216 4.9216 7.6224 7.6224 8.6447 8.6447 8.9548 8.9548 9.5113 9.5113 10.9056 10.9056 11.4318 11.4318 13.3173 13.3173 14.1242 14.1242 14.8041 14.8041 16.4115 16.4115 17.1346 17.1346 21.4917 21.4917 21.8647 21.8647 22.2222 22.2222 22.6842 22.6842 25.7615 25.7615 k = 0.0000 0.0000 0.1804 ( 1294 PWs) bands (ev): 4.9821 4.9821 7.7689 7.7689 8.6982 8.6982 9.0236 9.0236 9.4044 9.4044 10.9502 10.9502 11.4733 11.4733 13.2464 13.2464 14.0251 14.0251 14.8828 14.8828 16.2430 16.2430 16.9511 16.9511 21.6332 21.6332 21.9808 21.9808 22.1668 22.1668 22.5163 22.5163 25.7265 25.7265 k = 0.0000 0.0000 0.1910 ( 1282 PWs) bands (ev): 5.0446 5.0446 7.9247 7.9247 8.7427 8.7427 9.0959 9.0959 9.3102 9.3102 10.9974 10.9974 11.5173 11.5173 13.1736 13.1736 13.9225 13.9225 14.9538 14.9538 16.0750 16.0750 16.7664 16.7664 21.7737 21.7737 22.0969 22.0969 22.1101 22.1101 22.3426 22.3426 25.6894 25.6894 k = 0.0000 0.0000 0.2016 ( 1282 PWs) bands (ev): 5.1089 5.1089 8.0895 8.0895 8.7657 8.7657 9.1715 9.1715 9.2415 9.2415 11.0472 11.0472 11.5640 11.5640 13.0991 13.0991 13.8165 13.8165 15.0154 15.0154 15.9076 15.9076 16.5808 16.5808 21.9090 21.9090 22.0561 22.0561 22.1654 22.1654 22.2127 22.2127 25.6499 25.6499 k = 0.0000 0.0000 0.2122 ( 1282 PWs) bands (ev): 5.1749 5.1749 8.2631 8.2631 8.7500 8.7500 9.2156 9.2156 9.2502 9.2502 11.0995 11.0995 11.6133 11.6133 13.0233 13.0233 13.7075 13.7075 15.0663 15.0663 15.7412 15.7412 16.3946 16.3946 21.9663 21.9663 21.9873 21.9873 22.0780 22.0780 22.3282 22.3282 25.6080 25.6080 k = 0.0000 0.0000 0.2228 ( 1288 PWs) bands (ev): 5.2427 5.2427 8.4453 8.4453 8.6913 8.6913 9.2369 9.2369 9.3318 9.3318 11.1541 11.1541 11.6651 11.6651 12.9468 12.9468 13.5955 13.5955 15.1047 15.1047 15.5763 15.5763 16.2081 16.2081 21.8109 21.8109 21.9127 21.9127 22.2084 22.2084 22.4434 22.4434 25.5638 25.5638 k = 0.0000 0.0000 0.2334 ( 1288 PWs) bands (ev): 5.3122 5.3122 8.6037 8.6037 8.6359 8.6359 9.2915 9.2915 9.4162 9.4162 11.2106 11.2106 11.7195 11.7195 12.8700 12.8700 13.4808 13.4808 15.1291 15.1291 15.4131 15.4131 16.0217 16.0217 21.6387 21.6387 21.8489 21.8489 22.3468 22.3468 22.5582 22.5582 25.5172 25.5172 k = 0.0000 0.0000 0.2440 ( 1288 PWs) bands (ev): 5.3833 5.3833 8.5012 8.5012 8.8346 8.8346 9.3654 9.3654 9.5032 9.5032 11.2688 11.2688 11.7766 11.7766 12.7936 12.7936 13.3635 13.3635 15.1379 15.1379 15.2519 15.2519 15.8357 15.8357 21.4733 21.4733 21.7824 21.7824 22.4859 22.4859 22.6724 22.6724 25.4681 25.4681 k = 0.0000 0.0000 0.2546 ( 1288 PWs) bands (ev): 5.4560 5.4560 8.3916 8.3916 9.0408 9.0408 9.4509 9.4509 9.5925 9.5925 11.3280 11.3280 11.8362 11.8362 12.7186 12.7186 13.2437 13.2437 15.0931 15.0931 15.1294 15.1294 15.6504 15.6504 21.3172 21.3172 21.7143 21.7143 22.6247 22.6247 22.7860 22.7860 25.4166 25.4166 k = 0.0000 0.0000 0.2652 ( 1288 PWs) bands (ev): 5.5304 5.5304 8.2785 8.2785 9.2544 9.2544 9.5443 9.5443 9.6840 9.6840 11.3872 11.3872 11.8984 11.8984 12.6461 12.6461 13.1216 13.1216 14.9368 14.9368 15.1022 15.1022 15.4661 15.4661 21.1728 21.1728 21.6449 21.6449 22.7628 22.7628 22.8989 22.8989 25.3626 25.3626 k = 0.0000 0.0000 0.2758 ( 1288 PWs) bands (ev): 5.6064 5.6064 8.1640 8.1640 9.4747 9.4747 9.6437 9.6437 9.7774 9.7774 11.4448 11.4448 11.9632 11.9632 12.5778 12.5778 12.9974 12.9974 14.7835 14.7835 15.0551 15.0551 15.2831 15.2831 21.0419 21.0419 21.5745 21.5745 22.9001 22.9001 23.0109 23.0109 25.3060 25.3060 k = 0.0000 0.0000 0.2864 ( 1288 PWs) bands (ev): 5.6841 5.6841 8.0490 8.0490 9.7013 9.7013 9.7479 9.7479 9.8724 9.8724 11.4987 11.4987 12.0305 12.0305 12.5164 12.5164 12.8713 12.8713 14.6333 14.6333 14.9872 14.9872 15.1018 15.1018 20.9263 20.9263 21.5035 21.5035 23.0363 23.0363 23.1219 23.1219 25.2469 25.2469 k = 0.0000 0.0000 0.2971 ( 1288 PWs) bands (ev): 5.7635 5.7635 7.9343 7.9343 9.8564 9.8564 9.9337 9.9337 9.9689 9.9689 11.5452 11.5452 12.1004 12.1004 12.4654 12.4654 12.7434 12.7434 14.4864 14.4864 14.8982 14.8982 14.9224 14.9224 20.8271 20.8271 21.4321 21.4321 23.1714 23.1714 23.2319 23.2319 25.1852 25.1852 k = 0.0000 0.0000 0.3077 ( 1294 PWs) bands (ev): 5.8444 5.8444 7.8201 7.8201 9.9687 9.9687 10.0665 10.0665 10.1711 10.1711 11.5797 11.5797 12.1729 12.1729 12.4299 12.4299 12.6141 12.6141 14.3432 14.3432 14.7452 14.7452 14.7880 14.7880 20.7449 20.7449 21.3604 21.3604 23.3052 23.3052 23.3407 23.3407 25.1210 25.1210 k = 0.0000 0.0000 0.3183 ( 1288 PWs) bands (ev): 5.9271 5.9271 7.7069 7.7069 10.0843 10.0843 10.1650 10.1650 10.4127 10.4127 11.5969 11.5969 12.2478 12.2478 12.4153 12.4153 12.4837 12.4837 14.2036 14.2036 14.5706 14.5706 14.6574 14.6574 20.6800 20.6800 21.2890 21.2890 23.4378 23.4378 23.4482 23.4482 25.0542 25.0542 k = 0.0000 0.0000 0.3289 ( 1282 PWs) bands (ev): 6.0115 6.0115 7.5947 7.5947 10.2030 10.2030 10.2642 10.2642 10.6576 10.6576 11.5926 11.5926 12.3250 12.3250 12.3528 12.3528 12.4259 12.4259 14.0680 14.0680 14.3989 14.3989 14.5075 14.5075 20.6320 20.6320 21.2179 21.2179 23.5543 23.5543 23.5687 23.5687 24.9849 24.9849 k = 0.0000 0.0000 0.3395 ( 1282 PWs) bands (ev): 6.0977 6.0977 7.4838 7.4838 10.3244 10.3244 10.3637 10.3637 10.9040 10.9040 11.5664 11.5664 12.2225 12.2225 12.4045 12.4045 12.4623 12.4623 13.9364 13.9364 14.2303 14.2303 14.3399 14.3399 20.5999 20.5999 21.1477 21.1477 23.6589 23.6589 23.6981 23.6981 24.9129 24.9129 k = 0.0000 0.0000 0.3501 ( 1282 PWs) bands (ev): 6.1855 6.1855 7.3742 7.3742 10.4484 10.4484 10.4633 10.4633 11.1492 11.1492 11.5210 11.5210 12.0950 12.0950 12.4857 12.4857 12.5218 12.5218 13.8091 13.8091 14.0652 14.0652 14.1566 14.1566 20.5829 20.5829 21.0786 21.0786 23.7618 23.7618 23.8256 23.8256 24.8385 24.8385 k = 0.0000 0.0000 0.3607 ( 1282 PWs) bands (ev): 6.2751 6.2751 7.2661 7.2661 10.5627 10.5627 10.5746 10.5746 11.3846 11.3846 11.4608 11.4608 11.9779 11.9779 12.5680 12.5680 12.6002 12.6002 13.6863 13.6863 13.9039 13.9039 13.9604 13.9604 20.5794 20.5794 21.0112 21.0112 23.8631 23.8631 23.9514 23.9514 24.7615 24.7615 k = 0.0000 0.0000 0.3713 ( 1282 PWs) bands (ev): 6.3665 6.3665 7.1595 7.1595 10.6617 10.6617 10.7028 10.7028 11.3898 11.3898 11.5700 11.5700 11.9106 11.9106 12.6497 12.6497 12.6935 12.6935 13.5684 13.5684 13.7467 13.7467 13.7549 13.7549 20.5883 20.5883 20.9459 20.9459 23.9625 23.9625 24.0752 24.0752 24.6820 24.6820 k = 0.0000 0.0000 0.3819 ( 1282 PWs) bands (ev): 6.4596 6.4596 7.0545 7.0545 10.7600 10.7600 10.8326 10.8326 11.3111 11.3111 11.5823 11.5823 12.0144 12.0144 12.7267 12.7267 12.7986 12.7986 13.4564 13.4564 13.5464 13.5464 13.5940 13.5940 20.6080 20.6080 20.8833 20.8833 24.0600 24.0600 24.1969 24.1969 24.6001 24.6001 k = 0.0000 0.0000 0.3925 ( 1282 PWs) bands (ev): 6.5544 6.5544 6.9511 6.9511 10.8571 10.8571 10.9636 10.9636 11.2268 11.2268 11.4812 11.4812 12.2270 12.2270 12.7857 12.7857 12.9135 12.9135 13.3502 13.3502 13.3520 13.3520 13.4462 13.4462 20.6371 20.6371 20.8241 20.8241 24.1554 24.1554 24.3165 24.3165 24.5157 24.5157 k = 0.0000 0.0000 0.4031 ( 1282 PWs) bands (ev): 6.6510 6.6510 6.8494 6.8494 10.9529 10.9529 11.0954 11.0954 11.1384 11.1384 11.3570 11.3570 12.4523 12.4523 12.7820 12.7820 13.0367 13.0367 13.2132 13.2132 13.2603 13.2603 13.3037 13.3037 20.6744 20.6744 20.7690 20.7690 24.2488 24.2488 24.4290 24.4290 24.4338 24.4338 k = 0.0000 0.0000 0.4138 ( 1288 PWs) bands (ev): 6.7494 6.7494 6.7494 6.7494 11.0468 11.0468 11.0468 11.0468 11.2271 11.2271 11.2271 11.2271 12.6559 12.6559 12.6559 12.6559 13.1670 13.1670 13.1670 13.1670 13.1972 13.1972 13.1972 13.1972 20.7187 20.7187 20.7187 20.7187 24.3400 24.3400 24.3400 24.3400 24.5486 24.5486 k = 0.0000 0.0000 0.4138 ( 1288 PWs) bands (ev): 6.7494 6.7494 6.7494 6.7494 11.0468 11.0468 11.0468 11.0468 11.2271 11.2271 11.2271 11.2271 12.6559 12.6559 12.6559 12.6559 13.1670 13.1670 13.1670 13.1670 13.1972 13.1972 13.1972 13.1972 20.7187 20.7187 20.7187 20.7187 24.3400 24.3400 24.3400 24.3400 24.5486 24.5486 k = 0.0091 0.0052 0.4138 ( 1282 PWs) bands (ev): 6.7507 6.7507 6.7507 6.7507 11.0455 11.0455 11.0455 11.0455 11.2273 11.2273 11.2273 11.2273 12.6560 12.6560 12.6560 12.6560 13.1632 13.1632 13.1632 13.1632 13.2017 13.2017 13.2017 13.2017 20.7211 20.7211 20.7211 20.7211 24.3358 24.3358 24.3358 24.3358 24.5465 24.5465 k = 0.0182 0.0105 0.4138 ( 1282 PWs) bands (ev): 6.7546 6.7546 6.7546 6.7546 11.0416 11.0416 11.0416 11.0416 11.2282 11.2282 11.2282 11.2282 12.6561 12.6561 12.6561 12.6561 13.1553 13.1553 13.1553 13.1553 13.2117 13.2117 13.2117 13.2117 20.7281 20.7281 20.7281 20.7281 24.3230 24.3230 24.3230 24.3230 24.5403 24.5403 k = 0.0273 0.0157 0.4138 ( 1282 PWs) bands (ev): 6.7612 6.7612 6.7612 6.7612 11.0352 11.0352 11.0352 11.0352 11.2296 11.2296 11.2296 11.2296 12.6564 12.6564 12.6564 12.6564 13.1466 13.1466 13.1466 13.1466 13.2240 13.2240 13.2240 13.2240 20.7398 20.7398 20.7398 20.7398 24.3018 24.3018 24.3018 24.3018 24.5299 24.5299 k = 0.0364 0.0210 0.4138 ( 1282 PWs) bands (ev): 6.7704 6.7704 6.7704 6.7704 11.0263 11.0263 11.0263 11.0263 11.2314 11.2314 11.2314 11.2314 12.6567 12.6567 12.6567 12.6567 13.1380 13.1380 13.1380 13.1380 13.2377 13.2377 13.2377 13.2377 20.7559 20.7559 20.7559 20.7559 24.2721 24.2721 24.2721 24.2721 24.5156 24.5156 k = 0.0455 0.0262 0.4138 ( 1286 PWs) bands (ev): 6.7821 6.7821 6.7821 6.7821 11.0151 11.0151 11.0151 11.0151 11.2336 11.2336 11.2336 11.2336 12.6571 12.6571 12.6571 12.6571 13.1300 13.1300 13.1300 13.1300 13.2523 13.2523 13.2523 13.2523 20.7763 20.7763 20.7763 20.7763 24.2340 24.2340 24.2340 24.2340 24.4975 24.4975 k = 0.0545 0.0315 0.4138 ( 1286 PWs) bands (ev): 6.7965 6.7965 6.7965 6.7965 11.0016 11.0016 11.0016 11.0016 11.2362 11.2362 11.2362 11.2362 12.6575 12.6575 12.6575 12.6575 13.1228 13.1228 13.1228 13.1228 13.2678 13.2678 13.2678 13.2678 20.8008 20.8008 20.8008 20.8008 24.1877 24.1877 24.1877 24.1877 24.4758 24.4758 k = 0.0636 0.0367 0.4138 ( 1286 PWs) bands (ev): 6.8133 6.8133 6.8133 6.8133 10.9860 10.9860 10.9860 10.9860 11.2391 11.2391 11.2391 11.2391 12.6580 12.6580 12.6580 12.6580 13.1165 13.1165 13.1165 13.1165 13.2842 13.2842 13.2842 13.2842 20.8291 20.8291 20.8291 20.8291 24.1336 24.1336 24.1336 24.1336 24.4505 24.4505 k = 0.0727 0.0420 0.4138 ( 1282 PWs) bands (ev): 6.8326 6.8326 6.8326 6.8326 10.9684 10.9684 10.9684 10.9684 11.2422 11.2422 11.2422 11.2422 12.6583 12.6583 12.6583 12.6583 13.1111 13.1111 13.1111 13.1111 13.3013 13.3013 13.3013 13.3013 20.8609 20.8609 20.8609 20.8609 24.0720 24.0720 24.0720 24.0720 24.4217 24.4217 k = 0.0818 0.0472 0.4138 ( 1282 PWs) bands (ev): 6.8544 6.8544 6.8544 6.8544 10.9490 10.9490 10.9490 10.9490 11.2455 11.2455 11.2455 11.2455 12.6587 12.6587 12.6587 12.6587 13.1068 13.1068 13.1068 13.1068 13.3193 13.3193 13.3193 13.3193 20.8956 20.8956 20.8956 20.8956 24.0035 24.0035 24.0035 24.0035 24.3895 24.3895 k = 0.0909 0.0525 0.4138 ( 1282 PWs) bands (ev): 6.8785 6.8785 6.8785 6.8785 10.9278 10.9278 10.9278 10.9278 11.2489 11.2489 11.2489 11.2489 12.6589 12.6589 12.6589 12.6589 13.1037 13.1037 13.1037 13.1037 13.3382 13.3382 13.3382 13.3382 20.9328 20.9328 20.9328 20.9328 23.9286 23.9286 23.9286 23.9286 24.3539 24.3539 k = 0.1000 0.0577 0.4138 ( 1282 PWs) bands (ev): 6.9050 6.9050 6.9050 6.9050 10.9050 10.9050 10.9050 10.9050 11.2524 11.2524 11.2524 11.2524 12.6590 12.6590 12.6590 12.6590 13.1018 13.1018 13.1018 13.1018 13.3580 13.3580 13.3580 13.3580 20.9718 20.9718 20.9718 20.9718 23.8483 23.8483 23.8483 23.8483 24.3150 24.3150 k = 0.1091 0.0630 0.4138 ( 1278 PWs) bands (ev): 6.9337 6.9337 6.9337 6.9337 10.8807 10.8807 10.8807 10.8807 11.2560 11.2560 11.2560 11.2560 12.6590 12.6590 12.6590 12.6590 13.1012 13.1012 13.1012 13.1012 13.3786 13.3786 13.3786 13.3786 21.0117 21.0117 21.0117 21.0117 23.7633 23.7633 23.7633 23.7633 24.2728 24.2728 k = 0.1182 0.0682 0.4138 ( 1278 PWs) bands (ev): 6.9645 6.9645 6.9645 6.9645 10.8551 10.8551 10.8551 10.8551 11.2596 11.2596 11.2596 11.2596 12.6589 12.6589 12.6589 12.6589 13.1020 13.1020 13.1020 13.1020 13.4003 13.4003 13.4003 13.4003 21.0516 21.0516 21.0516 21.0516 23.6748 23.6748 23.6748 23.6748 24.2273 24.2273 k = 0.1273 0.0735 0.4138 ( 1282 PWs) bands (ev): 6.9975 6.9975 6.9975 6.9975 10.8282 10.8282 10.8282 10.8282 11.2632 11.2632 11.2632 11.2632 12.6587 12.6587 12.6587 12.6587 13.1041 13.1041 13.1041 13.1041 13.4229 13.4229 13.4229 13.4229 21.0902 21.0902 21.0902 21.0902 23.5842 23.5842 23.5842 23.5842 24.1787 24.1787 k = 0.1364 0.0787 0.4138 ( 1282 PWs) bands (ev): 7.0324 7.0324 7.0324 7.0324 10.8004 10.8004 10.8004 10.8004 11.2668 11.2668 11.2668 11.2668 12.6585 12.6585 12.6585 12.6585 13.1077 13.1077 13.1077 13.1077 13.4466 13.4466 13.4466 13.4466 21.1259 21.1259 21.1259 21.1259 23.4931 23.4931 23.4931 23.4931 24.1271 24.1271 k = 0.1455 0.0840 0.4138 ( 1290 PWs) bands (ev): 7.0692 7.0692 7.0692 7.0692 10.7715 10.7715 10.7715 10.7715 11.2704 11.2704 11.2704 11.2704 12.6582 12.6582 12.6582 12.6582 13.1128 13.1128 13.1128 13.1128 13.4714 13.4714 13.4714 13.4714 21.1568 21.1568 21.1568 21.1568 23.4036 23.4036 23.4036 23.4036 24.0724 24.0724 k = 0.1545 0.0892 0.4138 ( 1290 PWs) bands (ev): 7.1078 7.1078 7.1078 7.1078 10.7419 10.7419 10.7419 10.7419 11.2738 11.2738 11.2738 11.2738 12.6581 12.6581 12.6581 12.6581 13.1192 13.1192 13.1192 13.1192 13.4973 13.4973 13.4973 13.4973 21.1806 21.1806 21.1806 21.1806 23.3180 23.3180 23.3180 23.3180 24.0151 24.0151 k = 0.1636 0.0945 0.4138 ( 1280 PWs) bands (ev): 7.1481 7.1481 7.1481 7.1481 10.7117 10.7117 10.7117 10.7117 11.2772 11.2772 11.2772 11.2772 12.6582 12.6582 12.6582 12.6582 13.1271 13.1271 13.1271 13.1271 13.5244 13.5244 13.5244 13.5244 21.1947 21.1947 21.1947 21.1947 23.2391 23.2391 23.2391 23.2391 23.9551 23.9551 k = 0.1727 0.0997 0.4138 ( 1274 PWs) bands (ev): 7.1899 7.1899 7.1899 7.1899 10.6810 10.6810 10.6810 10.6810 11.2805 11.2805 11.2805 11.2805 12.6586 12.6586 12.6586 12.6586 13.1363 13.1363 13.1363 13.1363 13.5527 13.5527 13.5527 13.5527 21.1960 21.1960 21.1960 21.1960 23.1699 23.1699 23.1699 23.1699 23.8927 23.8927 k = 0.1818 0.1050 0.4138 ( 1274 PWs) bands (ev): 7.2331 7.2331 7.2331 7.2331 10.6498 10.6498 10.6498 10.6498 11.2836 11.2836 11.2836 11.2836 12.6595 12.6595 12.6595 12.6595 13.1469 13.1469 13.1469 13.1469 13.5823 13.5823 13.5823 13.5823 21.1816 21.1816 21.1816 21.1816 23.1134 23.1134 23.1134 23.1134 23.8282 23.8282 k = 0.1909 0.1102 0.4138 ( 1274 PWs) bands (ev): 7.2775 7.2775 7.2775 7.2775 10.6185 10.6185 10.6185 10.6185 11.2865 11.2865 11.2865 11.2865 12.6608 12.6608 12.6608 12.6608 13.1587 13.1587 13.1587 13.1587 13.6132 13.6132 13.6132 13.6132 21.1490 21.1490 21.1490 21.1490 23.0720 23.0720 23.0720 23.0720 23.7620 23.7620 k = 0.2000 0.1155 0.4138 ( 1278 PWs) bands (ev): 7.3230 7.3230 7.3230 7.3230 10.5871 10.5871 10.5871 10.5871 11.2893 11.2893 11.2893 11.2893 12.6629 12.6629 12.6629 12.6629 13.1718 13.1718 13.1718 13.1718 13.6454 13.6454 13.6454 13.6454 21.0963 21.0963 21.0963 21.0963 23.0473 23.0473 23.0473 23.0473 23.6945 23.6945 k = 0.2091 0.1207 0.4138 ( 1274 PWs) bands (ev): 7.3695 7.3695 7.3695 7.3695 10.5557 10.5557 10.5557 10.5557 11.2919 11.2919 11.2919 11.2919 12.6658 12.6658 12.6658 12.6658 13.1861 13.1861 13.1861 13.1861 13.6789 13.6789 13.6789 13.6789 21.0233 21.0233 21.0233 21.0233 23.0391 23.0391 23.0391 23.0391 23.6267 23.6267 k = 0.2182 0.1260 0.4138 ( 1278 PWs) bands (ev): 7.4167 7.4167 7.4167 7.4167 10.5245 10.5245 10.5245 10.5245 11.2943 11.2943 11.2943 11.2943 12.6696 12.6696 12.6696 12.6696 13.2017 13.2017 13.2017 13.2017 13.7137 13.7137 13.7137 13.7137 20.9306 20.9306 20.9306 20.9306 23.0457 23.0457 23.0457 23.0457 23.5600 23.5600 k = 0.2273 0.1312 0.4138 ( 1278 PWs) bands (ev): 7.4644 7.4644 7.4644 7.4644 10.4935 10.4935 10.4935 10.4935 11.2965 11.2965 11.2965 11.2965 12.6745 12.6745 12.6745 12.6745 13.2184 13.2184 13.2184 13.2184 13.7499 13.7499 13.7499 13.7499 20.8200 20.8200 20.8200 20.8200 23.0629 23.0629 23.0629 23.0629 23.4969 23.4969 k = 0.2364 0.1365 0.4138 ( 1278 PWs) bands (ev): 7.5126 7.5126 7.5126 7.5126 10.4630 10.4630 10.4630 10.4630 11.2985 11.2985 11.2985 11.2985 12.6805 12.6805 12.6805 12.6805 13.2364 13.2364 13.2364 13.2364 13.7874 13.7874 13.7874 13.7874 20.6938 20.6938 20.6938 20.6938 23.0834 23.0834 23.0834 23.0834 23.4432 23.4432 k = 0.2455 0.1417 0.4138 ( 1274 PWs) bands (ev): 7.5610 7.5610 7.5610 7.5610 10.4330 10.4330 10.4330 10.4330 11.3003 11.3003 11.3003 11.3003 12.6878 12.6878 12.6878 12.6878 13.2557 13.2557 13.2557 13.2557 13.8262 13.8262 13.8262 13.8262 20.5542 20.5542 20.5542 20.5542 23.0939 23.0939 23.0939 23.0939 23.4099 23.4099 k = 0.2545 0.1470 0.4138 ( 1274 PWs) bands (ev): 7.6094 7.6094 7.6094 7.6094 10.4036 10.4036 10.4036 10.4036 11.3019 11.3019 11.3019 11.3019 12.6963 12.6963 12.6963 12.6963 13.2764 13.2764 13.2764 13.2764 13.8662 13.8662 13.8662 13.8662 20.4035 20.4035 20.4035 20.4035 23.0790 23.0790 23.0790 23.0790 23.4106 23.4106 k = 0.2636 0.1522 0.4138 ( 1276 PWs) bands (ev): 7.6576 7.6576 7.6576 7.6576 10.3750 10.3750 10.3750 10.3750 11.3033 11.3033 11.3033 11.3033 12.7061 12.7061 12.7061 12.7061 13.2985 13.2985 13.2985 13.2985 13.9075 13.9075 13.9075 13.9075 20.2437 20.2437 20.2437 20.2437 23.0361 23.0361 23.0361 23.0361 23.4464 23.4464 k = 0.2727 0.1575 0.4138 ( 1280 PWs) bands (ev): 7.7054 7.7054 7.7054 7.7054 10.3471 10.3471 10.3471 10.3471 11.3045 11.3045 11.3045 11.3045 12.7173 12.7173 12.7173 12.7173 13.3223 13.3223 13.3223 13.3223 13.9498 13.9498 13.9498 13.9498 20.0764 20.0764 20.0764 20.0764 22.9751 22.9751 22.9751 22.9751 23.5058 23.5058 k = 0.2818 0.1627 0.4138 ( 1282 PWs) bands (ev): 7.7526 7.7526 7.7526 7.7526 10.3202 10.3202 10.3202 10.3202 11.3055 11.3055 11.3055 11.3055 12.7296 12.7296 12.7296 12.7296 13.3478 13.3478 13.3478 13.3478 13.9931 13.9931 13.9931 13.9931 19.9031 19.9031 19.9031 19.9031 22.9048 22.9048 22.9048 22.9048 23.5790 23.5790 k = 0.2909 0.1680 0.4138 ( 1278 PWs) bands (ev): 7.7989 7.7989 7.7989 7.7989 10.2942 10.2942 10.2942 10.2942 11.3064 11.3064 11.3064 11.3064 12.7432 12.7432 12.7432 12.7432 13.3754 13.3754 13.3754 13.3754 14.0375 14.0375 14.0375 14.0375 19.7251 19.7251 19.7251 19.7251 22.8298 22.8298 22.8298 22.8298 23.6607 23.6607 k = 0.3000 0.1732 0.4138 ( 1278 PWs) bands (ev): 7.8443 7.8443 7.8443 7.8443 10.2694 10.2694 10.2694 10.2694 11.3070 11.3070 11.3070 11.3070 12.7579 12.7579 12.7579 12.7579 13.4052 13.4052 13.4052 13.4052 14.0826 14.0826 14.0826 14.0826 19.5432 19.5432 19.5432 19.5432 22.7525 22.7525 22.7525 22.7525 23.7476 23.7476 k = 0.3091 0.1785 0.4138 ( 1270 PWs) bands (ev): 7.8885 7.8885 7.8886 7.8886 10.2456 10.2456 10.2456 10.2456 11.3075 11.3075 11.3075 11.3075 12.7734 12.7734 12.7734 12.7734 13.4375 13.4375 13.4375 13.4375 14.1285 14.1285 14.1285 14.1285 19.3585 19.3585 19.3585 19.3585 22.6741 22.6741 22.6741 22.6741 23.8380 23.8380 k = 0.3182 0.1837 0.4138 ( 1266 PWs) bands (ev): 7.9314 7.9314 7.9314 7.9314 10.2230 10.2230 10.2230 10.2230 11.3078 11.3078 11.3078 11.3078 12.7897 12.7897 12.7897 12.7897 13.4725 13.4725 13.4725 13.4725 14.1751 14.1751 14.1751 14.1751 19.1717 19.1717 19.1717 19.1717 22.5955 22.5955 22.5955 22.5955 23.9303 23.9303 k = 0.3273 0.1890 0.4138 ( 1266 PWs) bands (ev): 7.9727 7.9727 7.9727 7.9727 10.2017 10.2017 10.2017 10.2017 11.3080 11.3080 11.3080 11.3080 12.8065 12.8065 12.8065 12.8065 13.5106 13.5106 13.5106 13.5106 14.2222 14.2222 14.2222 14.2222 18.9834 18.9834 18.9834 18.9834 22.5174 22.5174 22.5174 22.5174 24.0238 24.0238 k = 0.3364 0.1942 0.4138 ( 1266 PWs) bands (ev): 8.0123 8.0123 8.0123 8.0123 10.1816 10.1816 10.1816 10.1816 11.3080 11.3080 11.3080 11.3080 12.8235 12.8235 12.8235 12.8235 13.5519 13.5519 13.5519 13.5519 14.2698 14.2698 14.2698 14.2698 18.7943 18.7943 18.7943 18.7943 22.4403 22.4403 22.4403 22.4403 24.1174 24.1174 k = 0.3455 0.1994 0.4138 ( 1266 PWs) bands (ev): 8.0501 8.0501 8.0501 8.0501 10.1627 10.1627 10.1627 10.1627 11.3079 11.3079 11.3079 11.3079 12.8406 12.8406 12.8406 12.8406 13.5966 13.5966 13.5966 13.5966 14.3179 14.3179 14.3179 14.3179 18.6049 18.6049 18.6049 18.6049 22.3645 22.3645 22.3645 22.3645 24.2104 24.2104 k = 0.3545 0.2047 0.4138 ( 1264 PWs) bands (ev): 8.0859 8.0859 8.0859 8.0859 10.1451 10.1451 10.1451 10.1451 11.3077 11.3077 11.3077 11.3077 12.8575 12.8575 12.8575 12.8575 13.6450 13.6450 13.6450 13.6450 14.3663 14.3663 14.3663 14.3663 18.4156 18.4156 18.4156 18.4156 22.2906 22.2906 22.2906 22.2906 24.3023 24.3023 k = 0.3636 0.2099 0.4138 ( 1264 PWs) bands (ev): 8.1196 8.1196 8.1196 8.1196 10.1289 10.1289 10.1289 10.1289 11.3074 11.3074 11.3074 11.3074 12.8739 12.8739 12.8739 12.8739 13.6969 13.6969 13.6969 13.6969 14.4151 14.4151 14.4151 14.4151 18.2270 18.2270 18.2270 18.2270 22.2189 22.2189 22.2189 22.2189 24.3924 24.3924 k = 0.3727 0.2152 0.4138 ( 1266 PWs) bands (ev): 8.1513 8.1513 8.1513 8.1513 10.1139 10.1139 10.1139 10.1139 11.3070 11.3070 11.3070 11.3070 12.8897 12.8897 12.8897 12.8897 13.7523 13.7523 13.7523 13.7523 14.4644 14.4644 14.4644 14.4644 18.0396 18.0396 18.0396 18.0396 22.1497 22.1497 22.1497 22.1497 24.4801 24.4801 k = 0.3818 0.2204 0.4138 ( 1266 PWs) bands (ev): 8.1807 8.1807 8.1807 8.1807 10.1002 10.1002 10.1002 10.1002 11.3066 11.3066 11.3066 11.3066 12.9047 12.9047 12.9047 12.9047 13.8109 13.8109 13.8109 13.8109 14.5143 14.5143 14.5143 14.5143 17.8536 17.8536 17.8536 17.8536 22.0834 22.0834 22.0834 22.0834 24.5649 24.5649 k = 0.3909 0.2257 0.4138 ( 1266 PWs) bands (ev): 8.2078 8.2078 8.2078 8.2078 10.0877 10.0877 10.0877 10.0877 11.3061 11.3061 11.3061 11.3061 12.9187 12.9187 12.9187 12.9187 13.8723 13.8723 13.8723 13.8723 14.5652 14.5652 14.5652 14.5652 17.6697 17.6697 17.6697 17.6697 22.0204 22.0204 22.0204 22.0204 24.6462 24.6462 k = 0.4000 0.2309 0.4138 ( 1274 PWs) bands (ev): 8.2327 8.2327 8.2327 8.2327 10.0764 10.0764 10.0764 10.0764 11.3055 11.3055 11.3055 11.3055 12.9317 12.9317 12.9317 12.9317 13.9357 13.9357 13.9357 13.9357 14.6174 14.6174 14.6174 14.6174 17.4881 17.4881 17.4881 17.4881 21.9610 21.9610 21.9610 21.9610 24.7235 24.7235 k = 0.4091 0.2362 0.4138 ( 1270 PWs) bands (ev): 8.2553 8.2553 8.2553 8.2553 10.0663 10.0663 10.0663 10.0663 11.3050 11.3050 11.3050 11.3050 12.9436 12.9436 12.9436 12.9436 14.0002 14.0002 14.0002 14.0002 14.6716 14.6716 14.6716 14.6716 17.3095 17.3095 17.3095 17.3095 21.9055 21.9055 21.9055 21.9055 24.7963 24.7963 k = 0.4182 0.2414 0.4138 ( 1270 PWs) bands (ev): 8.2757 8.2757 8.2757 8.2757 10.0574 10.0574 10.0574 10.0574 11.3044 11.3044 11.3044 11.3044 12.9544 12.9544 12.9544 12.9544 14.0645 14.0645 14.0645 14.0645 14.7285 14.7285 14.7285 14.7285 17.1343 17.1343 17.1343 17.1343 21.8543 21.8543 21.8543 21.8543 24.8640 24.8640 k = 0.4273 0.2467 0.4138 ( 1274 PWs) bands (ev): 8.2937 8.2937 8.2937 8.2937 10.0495 10.0495 10.0495 10.0495 11.3039 11.3039 11.3039 11.3039 12.9640 12.9640 12.9640 12.9640 14.1271 14.1271 14.1271 14.1271 14.7891 14.7891 14.7891 14.7891 16.9631 16.9631 16.9631 16.9631 21.8075 21.8075 21.8075 21.8075 24.9263 24.9263 k = 0.4364 0.2519 0.4138 ( 1270 PWs) bands (ev): 8.3096 8.3096 8.3096 8.3096 10.0427 10.0427 10.0427 10.0427 11.3034 11.3034 11.3034 11.3034 12.9724 12.9724 12.9724 12.9724 14.1862 14.1862 14.1862 14.1862 14.8542 14.8542 14.8542 14.8542 16.7967 16.7967 16.7967 16.7967 21.7656 21.7656 21.7656 21.7656 24.9826 24.9826 k = 0.4455 0.2572 0.4138 ( 1270 PWs) bands (ev): 8.3232 8.3232 8.3232 8.3232 10.0369 10.0369 10.0369 10.0369 11.3029 11.3029 11.3029 11.3029 12.9797 12.9797 12.9797 12.9797 14.2403 14.2403 14.2403 14.2403 14.9246 14.9246 14.9246 14.9246 16.6361 16.6361 16.6361 16.6361 21.7287 21.7287 21.7287 21.7287 25.0324 25.0324 k = 0.4545 0.2624 0.4138 ( 1268 PWs) bands (ev): 8.3347 8.3347 8.3347 8.3347 10.0321 10.0321 10.0321 10.0321 11.3025 11.3025 11.3025 11.3025 12.9858 12.9858 12.9858 12.9858 14.2877 14.2877 14.2877 14.2877 15.0001 15.0001 15.0001 15.0001 16.4827 16.4827 16.4827 16.4827 21.6970 21.6970 21.6970 21.6970 25.0753 25.0753 k = 0.4636 0.2677 0.4138 ( 1264 PWs) bands (ev): 8.3440 8.3440 8.3440 8.3440 10.0282 10.0282 10.0282 10.0282 11.3022 11.3022 11.3022 11.3022 12.9907 12.9907 12.9907 12.9907 14.3273 14.3273 14.3273 14.3273 15.0796 15.0796 15.0796 15.0796 16.3387 16.3387 16.3387 16.3387 21.6708 21.6708 21.6708 21.6708 25.1111 25.1111 k = 0.4727 0.2729 0.4138 ( 1260 PWs) bands (ev): 8.3512 8.3512 8.3512 8.3512 10.0252 10.0252 10.0252 10.0252 11.3019 11.3019 11.3019 11.3019 12.9946 12.9946 12.9946 12.9946 14.3584 14.3584 14.3584 14.3584 15.1600 15.1600 15.1600 15.1600 16.2079 16.2079 16.2079 16.2079 21.6503 21.6503 21.6503 21.6503 25.1393 25.1393 k = 0.4818 0.2782 0.4138 ( 1260 PWs) bands (ev): 8.3563 8.3563 8.3563 8.3563 10.0230 10.0230 10.0230 10.0230 11.3017 11.3017 11.3017 11.3017 12.9973 12.9973 12.9973 12.9973 14.3807 14.3807 14.3807 14.3807 15.2348 15.2348 15.2348 15.2348 16.0972 16.0972 16.0972 16.0972 21.6355 21.6355 21.6355 21.6355 25.1596 25.1596 k = 0.4909 0.2834 0.4138 ( 1260 PWs) bands (ev): 8.3594 8.3594 8.3594 8.3594 10.0218 10.0218 10.0218 10.0218 11.3016 11.3016 11.3016 11.3016 12.9989 12.9989 12.9989 12.9989 14.3941 14.3941 14.3941 14.3941 15.2918 15.2918 15.2918 15.2918 16.0187 16.0187 16.0187 16.0187 21.6266 21.6266 21.6266 21.6266 25.1718 25.1718 k = 0.5000 0.2887 0.4138 ( 1256 PWs) bands (ev): 8.3604 8.3604 8.3604 8.3604 10.0214 10.0214 10.0214 10.0214 11.3015 11.3015 11.3015 11.3015 12.9995 12.9995 12.9995 12.9995 14.3985 14.3985 14.3985 14.3985 15.3139 15.3139 15.3139 15.3139 15.9894 15.9894 15.9894 15.9894 21.6237 21.6237 21.6237 21.6237 25.1759 25.1759 k = 0.5000 0.2887 0.4138 ( 1256 PWs) bands (ev): 8.3604 8.3604 8.3604 8.3604 10.0214 10.0214 10.0214 10.0214 11.3015 11.3015 11.3015 11.3015 12.9995 12.9995 12.9995 12.9995 14.3985 14.3985 14.3985 14.3985 15.3139 15.3139 15.3139 15.3139 15.9894 15.9894 15.9894 15.9894 21.6237 21.6237 21.6237 21.6237 25.1759 25.1759 k = 0.4948 0.2977 0.4138 ( 1260 PWs) bands (ev): 8.3532 8.3532 8.3683 8.3683 10.0069 10.0069 10.0366 10.0366 11.2964 11.2964 11.3085 11.3085 12.9972 12.9972 13.0018 13.0018 14.3860 14.3860 14.4047 14.4047 15.2890 15.2890 15.3329 15.3329 15.9846 15.9846 16.0057 16.0057 21.6104 21.6104 21.6263 21.6263 25.1770 25.1840 k = 0.4896 0.3067 0.4138 ( 1260 PWs) bands (ev): 8.3466 8.3466 8.3769 8.3769 9.9931 9.9931 10.0525 10.0525 11.2933 11.2933 11.3175 11.3175 12.9950 12.9950 13.0043 13.0043 14.3677 14.3677 14.4042 14.4042 15.2597 15.2597 15.3443 15.3443 15.9926 15.9926 16.0321 16.0321 21.5869 21.5869 21.6182 21.6182 25.1859 25.1859 k = 0.4844 0.3157 0.4138 ( 1260 PWs) bands (ev): 8.3407 8.3407 8.3861 8.3861 9.9801 9.9801 10.0691 10.0691 11.2921 11.2921 11.3284 11.3284 12.9930 12.9930 13.0069 13.0069 14.3441 14.3441 14.3971 14.3971 15.2276 15.2276 15.3472 15.3472 16.0137 16.0137 16.0674 16.0674 21.5535 21.5535 21.5996 21.5996 25.2040 25.2041 k = 0.4792 0.3248 0.4138 ( 1264 PWs) bands (ev): 8.3354 8.3354 8.3958 8.3958 9.9677 9.9677 10.0862 10.0862 11.2930 11.2930 11.3415 11.3415 12.9909 12.9909 13.0097 13.0097 14.3160 14.3160 14.3835 14.3835 15.1935 15.1935 15.3414 15.3414 16.0474 16.0474 16.1103 16.1103 21.5108 21.5108 21.5708 21.5708 25.2304 25.2304 k = 0.4740 0.3338 0.4138 ( 1260 PWs) bands (ev): 8.3308 8.3308 8.4062 8.4062 9.9560 9.9560 10.1038 10.1038 11.2961 11.2961 11.3567 11.3567 12.9889 12.9889 13.0125 13.0125 14.2840 14.2840 14.3638 14.3638 15.1581 15.1581 15.3275 15.3275 16.0925 16.0925 16.1598 16.1598 21.4595 21.4595 21.5322 21.5322 25.2645 25.2645 k = 0.4688 0.3428 0.4138 ( 1268 PWs) bands (ev): 8.3268 8.3268 8.4170 8.4170 9.9449 9.9449 10.1218 10.1218 11.3015 11.3015 11.3741 11.3741 12.9869 12.9869 13.0155 13.0155 14.2489 14.2489 14.3387 14.3387 15.1213 15.1213 15.3065 15.3065 16.1474 16.1474 16.2154 16.2154 21.4002 21.4002 21.4845 21.4845 25.3055 25.3055 k = 0.4635 0.3518 0.4138 ( 1272 PWs) bands (ev): 8.3235 8.3235 8.4283 8.4283 9.9343 9.9343 10.1399 10.1399 11.3094 11.3094 11.3940 11.3940 12.9849 12.9849 13.0187 13.0187 14.2113 14.2113 14.3090 14.3090 15.0832 15.0832 15.2795 15.2795 16.2104 16.2104 16.2763 16.2763 21.3339 21.3339 21.4284 21.4284 25.3527 25.3527 k = 0.4583 0.3608 0.4138 ( 1272 PWs) bands (ev): 8.3207 8.3207 8.4401 8.4401 9.9241 9.9241 10.1580 10.1580 11.3199 11.3199 11.4164 11.4164 12.9829 12.9829 13.0219 13.0219 14.1718 14.1718 14.2752 14.2752 15.0435 15.0435 15.2474 15.2474 16.2801 16.2801 16.3421 16.3421 21.2612 21.2612 21.3645 21.3645 25.4052 25.4053 k = 0.4531 0.3699 0.4138 ( 1272 PWs) bands (ev): 8.3185 8.3185 8.4522 8.4522 9.9143 9.9143 10.1759 10.1759 11.3332 11.3332 11.4415 11.4415 12.9807 12.9807 13.0253 13.0253 14.1310 14.1310 14.2383 14.2383 15.0020 15.0020 15.2110 15.2110 16.3554 16.3554 16.4123 16.4123 21.1827 21.1827 21.2937 21.2937 25.4621 25.4621 k = 0.4479 0.3789 0.4138 ( 1268 PWs) bands (ev): 8.3168 8.3168 8.4647 8.4647 9.9048 9.9048 10.1934 10.1934 11.3496 11.3496 11.4694 11.4694 12.9785 12.9785 13.0288 13.0288 14.0893 14.0893 14.1990 14.1990 14.9583 14.9583 15.1708 15.1708 16.4353 16.4353 16.4865 16.4865 21.0993 21.0993 21.2165 21.2165 25.5224 25.5224 k = 0.4427 0.3879 0.4138 ( 1268 PWs) bands (ev): 8.3157 8.3157 8.4774 8.4774 9.8955 9.8955 10.2103 10.2103 11.3693 11.3693 11.5003 11.5003 12.9760 12.9760 13.0324 13.0324 14.0472 14.0472 14.1579 14.1579 14.9124 14.9124 15.1273 15.1273 16.5190 16.5190 16.5643 16.5643 21.0115 21.0115 21.1339 21.1339 25.5853 25.5853 k = 0.4375 0.3969 0.4138 ( 1268 PWs) bands (ev): 8.3149 8.3149 8.4903 8.4903 9.8863 9.8863 10.2264 10.2264 11.3924 11.3924 11.5342 11.5342 12.9734 12.9734 13.0361 13.0361 14.0050 14.0050 14.1155 14.1155 14.8640 14.8640 15.0808 15.0808 16.6062 16.6062 16.6455 16.6455 20.9198 20.9198 21.0462 21.0462 25.6498 25.6498 k = 0.4323 0.4059 0.4138 ( 1268 PWs) bands (ev): 8.3146 8.3146 8.5033 8.5033 9.8771 9.8771 10.2415 10.2415 11.4190 11.4190 11.5712 11.5712 12.9706 12.9706 13.0400 13.0400 13.9632 13.9632 14.0724 14.0724 14.8131 14.8131 15.0316 15.0316 16.6961 16.6961 16.7297 16.7297 20.8248 20.8248 20.9543 20.9543 25.7154 25.7155 k = 0.4271 0.4150 0.4138 ( 1268 PWs) bands (ev): 8.3147 8.3147 8.5164 8.5164 9.8680 9.8680 10.2555 10.2555 11.4493 11.4493 11.6115 11.6115 12.9674 12.9674 13.0440 13.0440 13.9219 13.9219 14.0289 14.0289 14.7596 14.7596 14.9801 14.9801 16.7885 16.7885 16.8166 16.8166 20.7268 20.7268 20.8585 20.8585 25.7812 25.7812 k = 0.4219 0.4240 0.4138 ( 1276 PWs) bands (ev): 8.3151 8.3151 8.5294 8.5294 9.8589 9.8589 10.2683 10.2683 11.4832 11.4832 11.6551 11.6551 12.9640 12.9640 13.0481 13.0481 13.8815 13.8815 13.9855 13.9855 14.7037 14.7037 14.9264 14.9264 16.8831 16.8831 16.9059 16.9059 20.6262 20.6262 20.7594 20.7594 25.8466 25.8468 k = 0.4167 0.4330 0.4138 ( 1276 PWs) bands (ev): 8.3158 8.3158 8.5424 8.5424 9.8498 9.8498 10.2798 10.2798 11.5208 11.5208 11.7018 11.7018 12.9603 12.9603 13.0525 13.0525 13.8423 13.8423 13.9424 13.9424 14.6452 14.6452 14.8708 14.8708 16.9795 16.9795 16.9975 16.9975 20.5234 20.5234 20.6575 20.6575 25.9112 25.9123 k = 0.4115 0.4420 0.4138 ( 1284 PWs) bands (ev): 8.3168 8.3168 8.5552 8.5552 9.8407 9.8407 10.2899 10.2899 11.5618 11.5618 11.7517 11.7517 12.9563 12.9563 13.0572 13.0572 13.8044 13.8044 13.8998 13.8998 14.5845 14.5845 14.8136 14.8136 17.0776 17.0776 17.0911 17.0911 20.4187 20.4187 20.5531 20.5531 25.9693 25.9741 k = 0.4062 0.4511 0.4138 ( 1288 PWs) bands (ev): 8.3179 8.3179 8.5677 8.5677 9.8315 9.8315 10.2986 10.2986 11.6062 11.6062 11.8047 11.8047 12.9520 12.9520 13.0622 13.0622 13.7680 13.7680 13.8580 13.8580 14.5217 14.5217 14.7552 14.7552 17.1770 17.1770 17.1864 17.1864 20.3123 20.3123 20.4467 20.4467 26.0234 26.0234 k = 0.4010 0.4601 0.4138 ( 1290 PWs) bands (ev): 8.3193 8.3193 8.5799 8.5799 9.8225 9.8225 10.3061 10.3061 11.6534 11.6534 11.8605 11.8605 12.9474 12.9474 13.0678 13.0678 13.7335 13.7335 13.8172 13.8172 14.4569 14.4569 14.6958 14.6958 17.2775 17.2775 17.2833 17.2833 20.2046 20.2046 20.3386 20.3386 26.0756 26.0756 k = 0.3958 0.4691 0.4138 ( 1290 PWs) bands (ev): 8.3207 8.3207 8.5918 8.5918 9.8135 9.8135 10.3123 10.3123 11.7031 11.7031 11.9188 11.9188 12.9427 12.9427 13.0739 13.0739 13.7010 13.7010 13.7775 13.7775 14.3904 14.3904 14.6357 14.6357 17.3788 17.3788 17.3816 17.3816 20.0958 20.0958 20.2293 20.2293 26.1253 26.1254 k = 0.3906 0.4781 0.4138 ( 1286 PWs) bands (ev): 8.3223 8.3223 8.6031 8.6031 9.8046 9.8046 10.3174 10.3174 11.7547 11.7547 11.9791 11.9791 12.9379 12.9379 13.0810 13.0810 13.6707 13.6707 13.7390 13.7390 14.3224 14.3224 14.5754 14.5754 17.4808 17.4808 17.4810 17.4810 19.9862 19.9862 20.1190 20.1190 26.1724 26.1724 k = 0.3854 0.4871 0.4138 ( 1286 PWs) bands (ev): 8.3239 8.3239 8.6139 8.6139 9.7960 9.7960 10.3215 10.3215 11.8075 11.8075 12.0410 12.0410 12.9332 12.9332 13.0893 13.0893 13.6428 13.6428 13.7020 13.7020 14.2533 14.2533 14.5153 14.5153 17.5812 17.5812 17.5830 17.5830 19.8761 19.8761 20.0083 20.0083 26.2164 26.2164 k = 0.3802 0.4962 0.4138 ( 1282 PWs) bands (ev): 8.3255 8.3255 8.6241 8.6241 9.7877 9.7877 10.3246 10.3246 11.8606 11.8606 12.1036 12.1036 12.9289 12.9289 13.0993 13.0993 13.6176 13.6176 13.6666 13.6666 14.1835 14.1835 14.4559 14.4559 17.6821 17.6821 17.6852 17.6852 19.7657 19.7657 19.8977 19.8977 26.2574 26.2574 k = 0.3750 0.5052 0.4138 ( 1282 PWs) bands (ev): 8.3271 8.3271 8.6335 8.6335 9.7799 9.7799 10.3270 10.3270 11.9130 11.9130 12.1659 12.1659 12.9251 12.9251 13.1114 13.1114 13.5953 13.5953 13.6330 13.6330 14.1132 14.1132 14.3977 14.3977 17.7832 17.7832 17.7868 17.7868 19.6556 19.6556 19.7877 19.7877 26.2949 26.2949 k = 0.3698 0.5142 0.4138 ( 1278 PWs) bands (ev): 8.3287 8.3287 8.6421 8.6421 9.7725 9.7725 10.3288 10.3288 11.9634 11.9634 12.2267 12.2267 12.9221 12.9221 13.1264 13.1264 13.5761 13.5761 13.6016 13.6016 14.0430 14.0430 14.3415 14.3415 17.8841 17.8841 17.8873 17.8873 19.5461 19.5461 19.6791 19.6791 26.3288 26.3288 k = 0.3646 0.5232 0.4138 ( 1274 PWs) bands (ev): 8.3301 8.3301 8.6499 8.6499 9.7658 9.7658 10.3300 10.3300 12.0107 12.0107 12.2844 12.2844 12.9203 12.9203 13.1449 13.1449 13.5603 13.5603 13.5727 13.5727 13.9733 13.9733 14.2879 14.2879 17.9842 17.9842 17.9856 17.9856 19.4381 19.4381 19.5729 19.5729 26.3589 26.3589 k = 0.3594 0.5322 0.4138 ( 1278 PWs) bands (ev): 8.3314 8.3314 8.6566 8.6566 9.7599 9.7599 10.3308 10.3308 12.0533 12.0533 12.3372 12.3372 12.9198 12.9198 13.1674 13.1674 13.5470 13.5470 13.5481 13.5481 13.9048 13.9048 14.2381 14.2381 18.0805 18.0805 18.0825 18.0825 19.3326 19.3326 19.4708 19.4708 26.3849 26.3849 k = 0.3542 0.5413 0.4138 ( 1278 PWs) bands (ev): 8.3326 8.3326 8.6623 8.6623 9.7548 9.7548 10.3313 10.3313 12.0899 12.0899 12.3831 12.3831 12.9206 12.9206 13.1939 13.1939 13.5259 13.5259 13.5395 13.5395 13.8382 13.8382 14.1931 14.1931 18.1699 18.1699 18.1774 18.1774 19.2313 19.2313 19.3749 19.3749 26.4066 26.4066 k = 0.3490 0.5503 0.4138 ( 1282 PWs) bands (ev): 8.3336 8.3336 8.6669 8.6669 9.7506 9.7506 10.3315 10.3315 12.1192 12.1192 12.4205 12.4205 12.9225 12.9225 13.2228 13.2228 13.5117 13.5117 13.5346 13.5346 13.7744 13.7744 14.1545 14.1545 18.2504 18.2504 18.2661 18.2661 19.1373 19.1373 19.2889 19.2889 26.4239 26.4239 k = 0.3438 0.5593 0.4138 ( 1286 PWs) bands (ev): 8.3343 8.3343 8.6702 8.6702 9.7476 9.7476 10.3316 10.3316 12.1405 12.1405 12.4477 12.4477 12.9249 12.9249 13.2501 13.2501 13.5080 13.5080 13.5326 13.5326 13.7153 13.7153 14.1242 14.1242 18.3167 18.3167 18.3432 18.3432 19.0561 19.0561 19.2182 19.2182 26.4365 26.4365 k = 0.3385 0.5683 0.4138 ( 1286 PWs) bands (ev): 8.3348 8.3348 8.6723 8.6723 9.7457 9.7457 10.3317 10.3317 12.1532 12.1532 12.4642 12.4642 12.9270 12.9270 13.2693 13.2693 13.5178 13.5178 13.5327 13.5327 13.6650 13.6650 14.1043 14.1043 18.3617 18.3617 18.3989 18.3989 18.9976 18.9976 19.1703 19.1703 26.4442 26.4442 k = 0.3333 0.5774 0.4138 ( 1290 PWs) bands (ev): 8.3349 8.3349 8.6730 8.6730 9.7450 9.7450 10.3317 10.3317 12.1573 12.1573 12.4696 12.4696 12.9279 12.9279 13.2757 13.2757 13.5293 13.5293 13.5331 13.5331 13.6401 13.6401 14.0972 14.0972 18.3778 18.3778 18.4199 18.4199 18.9756 18.9756 19.1532 19.1532 26.4468 26.4468 k = 0.3333 0.5774 0.4138 ( 1290 PWs) bands (ev): 8.3349 8.3349 8.6730 8.6730 9.7450 9.7450 10.3317 10.3317 12.1573 12.1573 12.4696 12.4696 12.9279 12.9279 13.2757 13.2757 13.5293 13.5293 13.5331 13.5331 13.6401 13.6401 14.0972 14.0972 18.3778 18.3778 18.4199 18.4199 18.9756 18.9756 19.1532 19.1532 26.4468 26.4468 k = 0.3280 0.5682 0.4138 ( 1286 PWs) bands (ev): 8.3347 8.3347 8.6722 8.6722 9.7457 9.7457 10.3317 10.3317 12.1532 12.1532 12.4642 12.4642 12.9268 12.9268 13.2703 13.2703 13.5111 13.5111 13.5321 13.5321 13.6706 13.6706 14.1051 14.1051 18.3615 18.3615 18.3986 18.3986 18.9981 18.9981 19.1707 19.1707 26.4440 26.4440 k = 0.3228 0.5590 0.4138 ( 1278 PWs) bands (ev): 8.3342 8.3342 8.6700 8.6700 9.7479 9.7479 10.3317 10.3317 12.1415 12.1415 12.4486 12.4486 12.9229 12.9229 13.2568 13.2568 13.4756 13.4756 13.5281 13.5281 13.7397 13.7397 14.1292 14.1292 18.3174 18.3174 18.3435 18.3435 19.0569 19.0569 19.2187 19.2187 26.4357 26.4357 k = 0.3175 0.5499 0.4138 ( 1278 PWs) bands (ev): 8.3331 8.3331 8.6661 8.6661 9.7515 9.7515 10.3318 10.3318 12.1230 12.1230 12.4237 12.4237 12.9161 12.9161 13.2387 13.2387 13.4395 13.4395 13.5207 13.5207 13.8258 13.8258 14.1690 14.1690 18.2546 18.2546 18.2693 18.2693 19.1378 19.1378 19.2889 19.2889 26.4217 26.4217 k = 0.3122 0.5407 0.4138 ( 1274 PWs) bands (ev): 8.3316 8.3316 8.6607 8.6607 9.7566 9.7566 10.3320 10.3320 12.0987 12.0987 12.3905 12.3905 12.9066 12.9066 13.2180 13.2180 13.4069 13.4069 13.5101 13.5101 13.9211 13.9211 14.2226 14.2226 18.1812 18.1812 18.1868 18.1868 19.2307 19.2307 19.3735 19.3735 26.4017 26.4017 k = 0.3069 0.5315 0.4138 ( 1270 PWs) bands (ev): 8.3295 8.3295 8.6536 8.6536 9.7632 9.7632 10.3321 10.3321 12.0695 12.0695 12.3503 12.3503 12.8946 12.8946 13.1962 13.1962 13.3786 13.3786 13.4973 13.4973 14.0220 14.0220 14.2874 14.2874 18.1019 18.1019 18.1035 18.1035 19.3304 19.3304 19.4673 19.4673 26.3759 26.3759 k = 0.3016 0.5224 0.4138 ( 1272 PWs) bands (ev): 8.3268 8.3268 8.6447 8.6447 9.7714 9.7714 10.3323 10.3323 12.0362 12.0362 12.3040 12.3040 12.8806 12.8806 13.1741 13.1741 13.3543 13.3543 13.4832 13.4832 14.1258 14.1258 14.3603 14.3603 18.0182 18.0182 18.0256 18.0256 19.4341 19.4341 19.5669 19.5669 26.3441 26.3441 k = 0.2963 0.5132 0.4138 ( 1272 PWs) bands (ev): 8.3233 8.3233 8.6342 8.6342 9.7811 9.7811 10.3325 10.3325 11.9997 11.9997 12.2529 12.2529 12.8651 12.8651 13.1525 13.1525 13.3334 13.3334 13.4686 13.4686 14.2304 14.2304 14.4383 14.4383 17.9384 17.9384 17.9507 17.9507 19.5401 19.5401 19.6703 19.6703 26.3063 26.3063 k = 0.2910 0.5040 0.4138 ( 1276 PWs) bands (ev): 8.3191 8.3191 8.6220 8.6220 9.7923 9.7923 10.3326 10.3326 11.9607 11.9607 12.1979 12.1979 12.8485 12.8485 13.1318 13.1318 13.3153 13.3153 13.4541 13.4541 14.3340 14.3340 14.5187 14.5187 17.8645 17.8645 17.8813 17.8813 19.6477 19.6477 19.7762 19.7762 26.2626 26.2627 k = 0.2857 0.4949 0.4138 ( 1280 PWs) bands (ev): 8.3141 8.3141 8.6079 8.6079 9.8050 9.8050 10.3326 10.3326 11.9200 11.9200 12.1400 12.1400 12.8312 12.8312 13.1123 13.1123 13.2995 13.2995 13.4399 13.4399 14.4346 14.4346 14.5986 14.5986 17.7986 17.7986 17.8197 17.8197 19.7562 19.7562 19.8837 19.8837 26.2132 26.2132 k = 0.2804 0.4857 0.4138 ( 1280 PWs) bands (ev): 8.3080 8.3080 8.5921 8.5921 9.8191 9.8191 10.3325 10.3325 11.8782 11.8782 12.0801 12.0801 12.8137 12.8137 13.0941 13.0941 13.2855 13.2855 13.4264 13.4264 14.5301 14.5301 14.6756 14.6756 17.7426 17.7426 17.7683 17.7683 19.8652 19.8652 19.9922 19.9922 26.1580 26.1580 k = 0.2751 0.4765 0.4138 ( 1280 PWs) bands (ev): 8.3010 8.3010 8.5745 8.5745 9.8346 9.8346 10.3321 10.3321 11.8360 11.8360 12.0190 12.0190 12.7961 12.7961 13.0772 13.0772 13.2729 13.2729 13.4134 13.4134 14.6186 14.6186 14.7469 14.7469 17.6985 17.6985 17.7290 17.7290 19.9744 19.9744 20.1014 20.1014 26.0973 26.0973 k = 0.2698 0.4674 0.4138 ( 1284 PWs) bands (ev): 8.2927 8.2927 8.5551 8.5551 9.8514 9.8514 10.3315 10.3315 11.7939 11.7939 11.9574 11.9574 12.7788 12.7788 13.0616 13.0616 13.2615 13.2615 13.4012 13.4012 14.6978 14.6978 14.8102 14.8102 17.6684 17.6684 17.7041 17.7041 20.0837 20.0837 20.2107 20.2107 26.0313 26.0314 k = 0.2646 0.4582 0.4138 ( 1284 PWs) bands (ev): 8.2832 8.2832 8.5339 8.5339 9.8695 9.8695 10.3306 10.3306 11.7525 11.7525 11.8960 11.8960 12.7618 12.7618 13.0472 13.0472 13.2509 13.2509 13.3895 13.3895 14.7659 14.7659 14.8633 14.8633 17.6542 17.6542 17.6955 17.6955 20.1929 20.1929 20.3201 20.3201 25.9603 25.9603 k = 0.2593 0.4491 0.4138 ( 1278 PWs) bands (ev): 8.2724 8.2724 8.5107 8.5107 9.8889 9.8889 10.3294 10.3294 11.7123 11.7123 11.8352 11.8352 12.7453 12.7453 13.0339 13.0339 13.2410 13.2410 13.3784 13.3784 14.8210 14.8210 14.9045 14.9045 17.6575 17.6575 17.7047 17.7047 20.3019 20.3019 20.4292 20.4292 25.8845 25.8845 k = 0.2540 0.4399 0.4138 ( 1274 PWs) bands (ev): 8.2599 8.2599 8.4857 8.4857 9.9094 9.9094 10.3279 10.3279 11.6739 11.6739 11.7755 11.7755 12.7294 12.7294 13.0216 13.0216 13.2318 13.2318 13.3678 13.3678 14.8618 14.8618 14.9323 14.9323 17.6797 17.6797 17.7327 17.7327 20.4104 20.4104 20.5379 20.5379 25.8042 25.8042 k = 0.2487 0.4307 0.4138 ( 1280 PWs) bands (ev): 8.2459 8.2459 8.4588 8.4588 9.9310 9.9310 10.3261 10.3261 11.6374 11.6374 11.7173 11.7173 12.7141 12.7141 13.0103 13.0103 13.2229 13.2229 13.3577 13.3577 14.8876 14.8876 14.9464 14.9464 17.7214 17.7214 17.7798 17.7798 20.5185 20.5185 20.6459 20.6459 25.7196 25.7196 k = 0.2434 0.4216 0.4138 ( 1276 PWs) bands (ev): 8.2301 8.2301 8.4301 8.4301 9.9536 9.9536 10.3241 10.3241 11.6034 11.6034 11.6611 11.6611 12.6995 12.6995 12.9998 12.9998 13.2145 13.2145 13.3479 13.3479 14.8986 14.8986 14.9469 14.9469 17.7823 17.7823 17.8458 17.8458 20.6261 20.6261 20.7531 20.7531 25.6313 25.6314 k = 0.2381 0.4124 0.4138 ( 1276 PWs) bands (ev): 8.2124 8.2124 8.3993 8.3993 9.9773 9.9773 10.3218 10.3218 11.5720 11.5720 11.6070 11.6070 12.6856 12.6856 12.9901 12.9901 13.2063 13.2063 13.3384 13.3384 14.8952 14.8952 14.9345 14.9345 17.8617 17.8617 17.9297 17.9297 20.7330 20.7330 20.8594 20.8594 25.5396 25.5397 k = 0.2328 0.4032 0.4138 ( 1276 PWs) bands (ev): 8.1928 8.1928 8.3667 8.3667 10.0018 10.0018 10.3195 10.3195 11.5435 11.5435 11.5554 11.5554 12.6724 12.6724 12.9812 12.9812 13.1984 13.1984 13.3291 13.3291 14.8789 14.8789 14.9106 14.9106 17.9583 17.9583 18.0300 18.0300 20.8392 20.8392 20.9645 20.9645 25.4448 25.4448 k = 0.2275 0.3941 0.4138 ( 1276 PWs) bands (ev): 8.1711 8.1711 8.3322 8.3322 10.0273 10.0273 10.3173 10.3173 11.5064 11.5064 11.5179 11.5179 12.6599 12.6599 12.9728 12.9728 13.1907 13.1907 13.3201 13.3201 14.8512 14.8512 14.8766 14.8766 18.0702 18.0702 18.1449 18.1449 20.9447 20.9447 21.0683 21.0683 25.3473 25.3474 k = 0.2222 0.3849 0.4138 ( 1284 PWs) bands (ev): 8.1473 8.1473 8.2958 8.2958 10.0536 10.0536 10.3153 10.3153 11.4602 11.4602 11.4954 11.4954 12.6481 12.6481 12.9649 12.9649 13.1831 13.1831 13.3112 13.3112 14.8138 14.8138 14.8343 14.8343 18.1957 18.1957 18.2728 18.2728 21.0492 21.0492 21.1705 21.1705 25.2476 25.2476 k = 0.2169 0.3757 0.4138 ( 1284 PWs) bands (ev): 8.1213 8.1213 8.2576 8.2576 10.0807 10.0807 10.3138 10.3138 11.4171 11.4171 11.4758 11.4758 12.6369 12.6369 12.9575 12.9575 13.1757 13.1757 13.3024 13.3024 14.7684 14.7684 14.7852 14.7852 18.3327 18.3327 18.4117 18.4117 21.1529 21.1529 21.2709 21.2709 25.1461 25.1461 k = 0.2116 0.3666 0.4138 ( 1280 PWs) bands (ev): 8.0931 8.0931 8.2177 8.2177 10.1085 10.1085 10.3129 10.3129 11.3770 11.3770 11.4592 11.4592 12.6265 12.6265 12.9505 12.9505 13.1685 13.1685 13.2936 13.2936 14.7167 14.7167 14.7307 14.7307 18.4794 18.4794 18.5600 18.5600 21.2556 21.2556 21.3693 21.3693 25.0432 25.0432 k = 0.2063 0.3574 0.4138 ( 1276 PWs) bands (ev): 8.0627 8.0627 8.1760 8.1760 10.1370 10.1370 10.3129 10.3129 11.3400 11.3400 11.4453 11.4453 12.6166 12.6166 12.9438 12.9438 13.1615 13.1615 13.2849 13.2849 14.6601 14.6601 14.6723 14.6723 18.6341 18.6341 18.7162 18.7162 21.3573 21.3573 21.4654 21.4654 24.9395 24.9395 k = 0.2011 0.3482 0.4138 ( 1280 PWs) bands (ev): 8.0301 8.0301 8.1327 8.1327 10.1661 10.1661 10.3140 10.3140 11.3062 11.3062 11.4340 11.4340 12.6075 12.6075 12.9372 12.9372 13.1546 13.1546 13.2762 13.2762 14.5999 14.5999 14.6111 14.6111 18.7952 18.7952 18.8787 18.8787 21.4578 21.4578 21.5589 21.5589 24.8354 24.8354 k = 0.1958 0.3391 0.4138 ( 1284 PWs) bands (ev): 7.9954 7.9954 8.0879 8.0879 10.1957 10.1957 10.3163 10.3163 11.2755 11.2755 11.4251 11.4251 12.5989 12.5989 12.9307 12.9307 13.1478 13.1478 13.2675 13.2675 14.5371 14.5371 14.5480 14.5480 18.9612 18.9612 19.0463 19.0463 21.5572 21.5572 21.6493 21.6493 24.7314 24.7314 k = 0.1905 0.3299 0.4138 ( 1280 PWs) bands (ev): 7.9586 7.9586 8.0417 8.0417 10.2260 10.2260 10.3201 10.3201 11.2480 11.2480 11.4183 11.4183 12.5911 12.5911 12.9242 12.9242 13.1414 13.1414 13.2588 13.2588 14.4727 14.4727 14.4838 14.4838 19.1309 19.1309 19.2178 19.2178 21.6553 21.6553 21.7364 21.7364 24.6282 24.6282 k = 0.1852 0.3208 0.4138 ( 1276 PWs) bands (ev): 7.9200 7.9200 7.9942 7.9942 10.2567 10.2567 10.3254 10.3254 11.2235 11.2235 11.4133 11.4133 12.5838 12.5838 12.9177 12.9177 13.1351 13.1351 13.2500 13.2500 14.4074 14.4074 14.4193 14.4193 19.3028 19.3028 19.3921 19.3921 21.7522 21.7522 21.8197 21.8197 24.5264 24.5264 k = 0.1799 0.3116 0.4138 ( 1276 PWs) bands (ev): 7.8795 7.8795 7.9457 7.9457 10.2878 10.2878 10.3325 10.3325 11.2020 11.2020 11.4098 11.4098 12.5773 12.5773 12.9109 12.9109 13.1292 13.1292 13.2412 13.2412 14.3420 14.3420 14.3551 14.3551 19.4758 19.4758 19.5680 19.5680 21.8478 21.8478 21.8986 21.8986 24.4266 24.4266 k = 0.1746 0.3024 0.4138 ( 1276 PWs) bands (ev): 7.8375 7.8375 7.8962 7.8962 10.3193 10.3193 10.3414 10.3414 11.1833 11.1833 11.4076 11.4076 12.5714 12.5714 12.9039 12.9039 13.1235 13.1235 13.2324 13.2324 14.2770 14.2770 14.2915 14.2915 19.6486 19.6486 19.7445 19.7445 21.9420 21.9420 21.9726 21.9726 24.3296 24.3296 k = 0.1693 0.2933 0.4138 ( 1272 PWs) bands (ev): 7.7940 7.7940 7.8459 7.8459 10.3511 10.3511 10.3522 10.3522 11.1674 11.1674 11.4064 11.4064 12.5663 12.5663 12.8966 12.8966 13.1183 13.1183 13.2235 13.2235 14.2127 14.2127 14.2291 14.2291 19.8198 19.8198 19.9204 19.9204 22.0348 22.0348 22.0413 22.0413 24.2362 24.2362 k = 0.1640 0.2841 0.4138 ( 1272 PWs) bands (ev): 7.7492 7.7492 7.7949 7.7949 10.3648 10.3648 10.3832 10.3832 11.1541 11.1541 11.4059 11.4059 12.5619 12.5619 12.8888 12.8888 13.1134 13.1134 13.2146 13.2146 14.1497 14.1497 14.1682 14.1682 19.9881 19.9881 20.0946 20.0946 22.1042 22.1042 22.1264 22.1264 24.1473 24.1473 k = 0.1587 0.2749 0.4138 ( 1272 PWs) bands (ev): 7.7035 7.7035 7.7436 7.7436 10.3793 10.3793 10.4155 10.4155 11.1432 11.1432 11.4058 11.4058 12.5583 12.5583 12.8806 12.8806 13.1090 13.1090 13.2057 13.2057 14.0883 14.0883 14.1090 14.1090 20.1520 20.1520 20.2655 20.2655 22.1611 22.1611 22.2167 22.2167 24.0639 24.0639 k = 0.1534 0.2658 0.4138 ( 1270 PWs) bands (ev): 7.6569 7.6569 7.6920 7.6920 10.3957 10.3957 10.4479 10.4479 11.1346 11.1346 11.4058 11.4058 12.5556 12.5556 12.8719 12.8719 13.1050 13.1050 13.1968 13.1968 14.0286 14.0286 14.0516 14.0516 20.3098 20.3098 20.4317 20.4317 22.2121 22.2121 22.3060 22.3060 23.9870 23.9870 k = 0.1481 0.2566 0.4138 ( 1270 PWs) bands (ev): 7.6097 7.6097 7.6403 7.6403 10.4138 10.4138 10.4804 10.4804 11.1281 11.1281 11.4058 11.4058 12.5537 12.5537 12.8627 12.8627 13.1014 13.1014 13.1880 13.1880 13.9710 13.9710 13.9964 13.9964 20.4596 20.4596 20.5912 20.5912 22.2577 22.2577 22.3946 22.3946 23.9177 23.9177 k = 0.1429 0.2474 0.4138 ( 1268 PWs) bands (ev): 7.5622 7.5622 7.5887 7.5887 10.4337 10.4337 10.5128 10.5128 11.1236 11.1236 11.4055 11.4055 12.5528 12.5528 12.8529 12.8529 13.0983 13.0983 13.1792 13.1792 13.9156 13.9156 13.9433 13.9433 20.5996 20.5996 20.7416 20.7416 22.2996 22.2996 22.4829 22.4829 23.8573 23.8573 k = 0.1376 0.2383 0.4138 ( 1268 PWs) bands (ev): 7.5145 7.5145 7.5375 7.5375 10.4551 10.4551 10.5451 10.5451 11.1209 11.1209 11.4048 11.4048 12.5527 12.5527 12.8427 12.8427 13.0957 13.0957 13.1705 13.1705 13.8626 13.8626 13.8924 13.8924 20.7277 20.7277 20.8800 20.8800 22.3399 22.3399 22.5715 22.5715 23.8067 23.8067 k = 0.1323 0.2291 0.4138 ( 1272 PWs) bands (ev): 7.4669 7.4669 7.4866 7.4866 10.4781 10.4781 10.5772 10.5772 11.1198 11.1198 11.4034 11.4034 12.5537 12.5537 12.8320 12.8320 13.0935 13.0935 13.1620 13.1620 13.8120 13.8120 13.8439 13.8439 20.8417 20.8417 21.0030 21.0030 22.3820 22.3820 22.6610 22.6610 23.7669 23.7669 k = 0.1270 0.2199 0.4138 ( 1272 PWs) bands (ev): 7.4195 7.4195 7.4365 7.4365 10.5025 10.5025 10.6090 10.6090 11.1201 11.1201 11.4012 11.4012 12.5556 12.5556 12.8210 12.8210 13.0917 13.0917 13.1537 13.1537 13.7639 13.7639 13.7976 13.7976 20.9399 20.9399 21.1072 21.1072 22.4299 22.4299 22.7525 22.7525 23.7386 23.7386 k = 0.1217 0.2108 0.4138 ( 1272 PWs) bands (ev): 7.3726 7.3726 7.3871 7.3871 10.5281 10.5281 10.6404 10.6404 11.1217 11.1217 11.3981 11.3981 12.5584 12.5584 12.8096 12.8096 13.0903 13.0903 13.1457 13.1457 13.7183 13.7183 13.7535 13.7535 21.0208 21.0208 21.1893 21.1893 22.4874 22.4874 22.8465 22.8465 23.7219 23.7219 k = 0.1164 0.2016 0.4138 ( 1272 PWs) bands (ev): 7.3263 7.3263 7.3386 7.3386 10.5548 10.5548 10.6712 10.6712 11.1246 11.1246 11.3941 11.3941 12.5622 12.5622 12.7980 12.7980 13.0893 13.0893 13.1380 13.1380 13.6754 13.6754 13.7117 13.7117 21.0837 21.0837 21.2476 21.2476 22.5575 22.5575 22.9436 22.9436 23.7169 23.7169 k = 0.1111 0.1925 0.4138 ( 1272 PWs) bands (ev): 7.2809 7.2809 7.2914 7.2914 10.5825 10.5825 10.7014 10.7014 11.1284 11.1284 11.3890 11.3890 12.5668 12.5668 12.7863 12.7863 13.0886 13.0886 13.1306 13.1306 13.6349 13.6349 13.6720 13.6720 21.1285 21.1285 21.2822 21.2822 22.6410 22.6410 23.0441 23.0441 23.7226 23.7226 k = 0.1058 0.1833 0.4138 ( 1276 PWs) bands (ev): 7.2365 7.2365 7.2453 7.2453 10.6110 10.6110 10.7308 10.7308 11.1331 11.1331 11.3830 11.3830 12.5723 12.5723 12.7746 12.7746 13.0882 13.0882 13.1238 13.1238 13.5969 13.5969 13.6344 13.6344 21.1564 21.1564 21.2954 21.2954 22.7367 22.7367 23.1475 23.1475 23.7383 23.7383 k = 0.1005 0.1741 0.4138 ( 1280 PWs) bands (ev): 7.1933 7.1933 7.2007 7.2007 10.6401 10.6401 10.7593 10.7593 11.1387 11.1387 11.3761 11.3761 12.5784 12.5784 12.7631 12.7631 13.0882 13.0882 13.1175 13.1175 13.5614 13.5614 13.5987 13.5987 21.1688 21.1688 21.2907 21.2907 22.8421 22.8421 23.2531 23.2531 23.7625 23.7625 k = 0.0952 0.1650 0.4138 ( 1288 PWs) bands (ev): 7.1514 7.1514 7.1575 7.1575 10.6697 10.6697 10.7868 10.7868 11.1448 11.1448 11.3682 11.3682 12.5850 12.5850 12.7517 12.7517 13.0885 13.0885 13.1118 13.1118 13.5281 13.5281 13.5649 13.5649 21.1679 21.1679 21.2720 21.2720 22.9543 22.9543 23.3596 23.3596 23.7940 23.7940 k = 0.0899 0.1558 0.4138 ( 1292 PWs) bands (ev): 7.1110 7.1110 7.1160 7.1160 10.6997 10.6997 10.8131 10.8131 11.1516 11.1516 11.3596 11.3596 12.5921 12.5921 12.7407 12.7407 13.0891 13.0891 13.1069 13.1069 13.4971 13.4971 13.5329 13.5329 21.1559 21.1559 21.2430 21.2430 23.0704 23.0704 23.4658 23.4658 23.8317 23.8317 k = 0.0847 0.1466 0.4138 ( 1288 PWs) bands (ev): 7.0723 7.0723 7.0764 7.0764 10.7297 10.7297 10.8382 10.8382 11.1587 11.1587 11.3502 11.3502 12.5994 12.5994 12.7301 12.7301 13.0900 13.0900 13.1028 13.1028 13.4682 13.4682 13.5025 13.5025 21.1352 21.1352 21.2066 21.2066 23.1881 23.1881 23.5698 23.5698 23.8745 23.8745 k = 0.0794 0.1375 0.4138 ( 1288 PWs) bands (ev): 7.0353 7.0353 7.0386 7.0386 10.7597 10.7597 10.8620 10.8620 11.1662 11.1662 11.3402 11.3402 12.6068 12.6068 12.7200 12.7200 13.0913 13.0913 13.0995 13.0995 13.4413 13.4413 13.4738 13.4738 21.1078 21.1078 21.1654 21.1654 23.3052 23.3052 23.6698 23.6698 23.9219 23.9219 k = 0.0741 0.1283 0.4138 ( 1284 PWs) bands (ev): 7.0001 7.0001 7.0027 7.0027 10.7895 10.7895 10.8843 10.8843 11.1739 11.1739 11.3298 11.3298 12.6142 12.6142 12.7105 12.7105 13.0929 13.0929 13.0973 13.0973 13.4162 13.4162 13.4464 13.4464 21.0756 21.0756 21.1214 21.1214 23.4204 23.4204 23.7638 23.7638 23.9735 23.9735 k = 0.0688 0.1191 0.4138 ( 1280 PWs) bands (ev): 6.9669 6.9669 6.9690 6.9690 10.8188 10.8188 10.9051 10.9051 11.1816 11.1816 11.3190 11.3190 12.6212 12.6212 12.7017 12.7017 13.0949 13.0949 13.0961 13.0961 13.3928 13.3928 13.4205 13.4205 21.0403 21.0403 21.0761 21.0761 23.5324 23.5324 23.8497 23.8497 24.0297 24.0297 k = 0.0635 0.1100 0.4138 ( 1278 PWs) bands (ev): 6.9358 6.9358 6.9374 6.9374 10.8474 10.8474 10.9245 10.9245 11.1891 11.1891 11.3081 11.3081 12.6278 12.6278 12.6937 12.6937 13.0960 13.0960 13.0974 13.0974 13.3710 13.3710 13.3959 13.3959 21.0033 21.0033 21.0308 21.0308 23.6401 23.6401 23.9259 23.9259 24.0903 24.0903 k = 0.0582 0.1008 0.4138 ( 1278 PWs) bands (ev): 6.9069 6.9069 6.9081 6.9081 10.8752 10.8752 10.9424 10.9424 11.1964 11.1964 11.2971 11.2971 12.6338 12.6338 12.6864 12.6864 13.0972 13.0972 13.1004 13.1004 13.3506 13.3506 13.3725 13.3725 20.9658 20.9658 20.9865 20.9865 23.7428 23.7428 23.9922 23.9922 24.1540 24.1540 k = 0.0529 0.0916 0.4138 ( 1278 PWs) bands (ev): 6.8802 6.8802 6.8810 6.8810 10.9018 10.9018 10.9589 10.9589 11.2033 11.2033 11.2864 11.2864 12.6392 12.6392 12.6800 12.6800 13.0995 13.0995 13.1040 13.1040 13.3314 13.3314 13.3503 13.3503 20.9287 20.9287 20.9440 20.9440 23.8396 23.8396 24.0499 24.0499 24.2184 24.2184 k = 0.0476 0.0825 0.4138 ( 1282 PWs) bands (ev): 6.8558 6.8558 6.8564 6.8564 10.9270 10.9270 10.9739 10.9739 11.2095 11.2095 11.2759 11.2759 12.6437 12.6437 12.6744 12.6744 13.1030 13.1030 13.1081 13.1081 13.3134 13.3134 13.3292 13.3292 20.8930 20.8930 20.9039 20.9039 23.9298 23.9298 24.1008 24.1008 24.2806 24.2806 k = 0.0423 0.0733 0.4138 ( 1282 PWs) bands (ev): 6.8338 6.8338 6.8342 6.8342 10.9507 10.9507 10.9876 10.9876 11.2149 11.2149 11.2660 11.2660 12.6475 12.6475 12.6696 12.6696 13.1077 13.1077 13.1129 13.1129 13.2964 13.2964 13.3092 13.3092 20.8594 20.8594 20.8669 20.8669 24.0130 24.0130 24.1462 24.1462 24.3384 24.3384 k = 0.0370 0.0642 0.4138 ( 1286 PWs) bands (ev): 6.8142 6.8142 6.8145 6.8145 10.9723 10.9723 11.0000 11.0000 11.2195 11.2195 11.2568 11.2568 12.6505 12.6505 12.6656 12.6656 13.1135 13.1135 13.1183 13.1183 13.2802 13.2802 13.2903 13.2903 20.8284 20.8284 20.8333 20.8333 24.0882 24.0882 24.1870 24.1870 24.3901 24.3901 k = 0.0317 0.0550 0.4138 ( 1286 PWs) bands (ev): 6.7971 6.7971 6.7973 6.7973 10.9918 10.9918 11.0111 11.0111 11.2230 11.2230 11.2486 11.2486 12.6528 12.6528 12.6624 12.6624 13.1203 13.1203 13.1245 13.1245 13.2649 13.2649 13.2724 13.2724 20.8006 20.8006 20.8036 20.8036 24.1548 24.1548 24.2236 24.2236 24.4349 24.4349 k = 0.0265 0.0458 0.4138 ( 1286 PWs) bands (ev): 6.7826 6.7826 6.7827 6.7827 11.0086 11.0086 11.0210 11.0210 11.2255 11.2255 11.2415 11.2415 12.6543 12.6543 12.6600 12.6600 13.1281 13.1281 13.1313 13.1313 13.2503 13.2503 13.2555 13.2555 20.7763 20.7763 20.7781 20.7781 24.2121 24.2121 24.2559 24.2559 24.4722 24.4722 k = 0.0212 0.0367 0.4138 ( 1284 PWs) bands (ev): 6.7707 6.7707 6.7707 6.7707 11.0226 11.0226 11.0295 11.0295 11.2270 11.2270 11.2358 11.2358 12.6553 12.6553 12.6582 12.6582 13.1366 13.1366 13.1389 13.1389 13.2365 13.2365 13.2398 13.2398 20.7560 20.7560 20.7569 20.7569 24.2593 24.2593 24.2838 24.2838 24.5018 24.5018 k = 0.0159 0.0275 0.4138 ( 1284 PWs) bands (ev): 6.7614 6.7614 6.7614 6.7614 11.0335 11.0335 11.0366 11.0366 11.2276 11.2276 11.2316 11.2316 12.6558 12.6558 12.6570 12.6570 13.1457 13.1457 13.1470 13.1470 13.2235 13.2235 13.2252 13.2252 20.7399 20.7399 20.7403 20.7403 24.2957 24.2957 24.3069 24.3069 24.5237 24.5237 k = 0.0106 0.0183 0.4138 ( 1284 PWs) bands (ev): 6.7547 6.7547 6.7547 6.7547 11.0411 11.0411 11.0420 11.0420 11.2276 11.2276 11.2288 11.2288 12.6559 12.6559 12.6563 12.6563 13.1549 13.1549 13.1555 13.1555 13.2115 13.2115 13.2122 13.2122 20.7282 20.7282 20.7283 20.7283 24.3210 24.3210 24.3245 24.3245 24.5383 24.5383 k = 0.0053 0.0092 0.4138 ( 1284 PWs) bands (ev): 6.7507 6.7507 6.7507 6.7507 11.0454 11.0454 11.0456 11.0456 11.2273 11.2273 11.2274 11.2274 12.6559 12.6559 12.6560 12.6560 13.1631 13.1631 13.1632 13.1632 13.2017 13.2017 13.2018 13.2018 20.7211 20.7211 20.7211 20.7211 24.3355 24.3355 24.3360 24.3360 24.5463 24.5463 k = 0.0000 0.0000 0.4138 ( 1288 PWs) bands (ev): 6.7494 6.7494 6.7494 6.7494 11.0468 11.0468 11.0468 11.0468 11.2271 11.2271 11.2271 11.2271 12.6559 12.6559 12.6559 12.6559 13.1670 13.1670 13.1670 13.1670 13.1972 13.1972 13.1972 13.1972 20.7187 20.7187 20.7187 20.7187 24.3400 24.3400 24.3400 24.3400 24.5486 24.5486 k = 0.5000 0.2887 0.4138 ( 1256 PWs) bands (ev): 8.3604 8.3604 8.3604 8.3604 10.0214 10.0214 10.0214 10.0214 11.3015 11.3015 11.3015 11.3015 12.9995 12.9995 12.9995 12.9995 14.3985 14.3985 14.3985 14.3985 15.3139 15.3139 15.3139 15.3139 15.9894 15.9894 15.9894 15.9894 21.6237 21.6237 21.6237 21.6237 25.1759 25.1759 k = 0.5000 0.2887 0.4031 ( 1260 PWs) bands (ev): 8.2879 8.2879 8.4321 8.4321 9.9512 9.9512 10.0881 10.0881 11.1706 11.1706 11.4353 11.4353 12.7303 12.7303 13.2665 13.2665 14.3467 14.3467 14.4526 14.4526 15.2614 15.2614 15.3663 15.3663 15.9705 15.9705 16.0181 16.0181 21.5120 21.5120 21.7371 21.7371 25.1372 25.1373 k = 0.5000 0.2887 0.3925 ( 1260 PWs) bands (ev): 8.2148 8.2148 8.5028 8.5028 9.8786 9.8786 10.1496 10.1496 11.0453 11.0453 11.5682 11.5682 12.4634 12.4634 13.5272 13.5272 14.2982 14.2982 14.5088 14.5088 15.2088 15.2088 15.4185 15.4185 15.9620 15.9620 16.0562 16.0562 21.4023 21.4023 21.8523 21.8523 25.0954 25.0954 k = 0.5000 0.2887 0.3819 ( 1260 PWs) bands (ev): 8.1412 8.1412 8.5722 8.5722 9.8042 9.8042 10.2023 10.2023 10.9295 10.9295 11.6898 11.6898 12.2105 12.2105 13.7748 13.7748 14.2569 14.2569 14.5673 14.5673 15.1563 15.1563 15.4705 15.4705 15.9642 15.9642 16.1037 16.1037 21.2945 21.2945 21.9693 21.9693 25.0507 25.0507 k = 0.5000 0.2887 0.3713 ( 1260 PWs) bands (ev): 8.0675 8.0675 8.6401 8.6401 9.7284 9.7284 10.2395 10.2395 10.8304 10.8304 11.7334 11.7334 12.0388 12.0388 13.9854 13.9854 14.2427 14.2427 14.6290 14.6290 15.1044 15.1044 15.5226 15.5226 15.9780 15.9780 16.1603 16.1603 21.1886 21.1886 22.0879 22.0879 25.0031 25.0031 k = 0.5000 0.2887 0.3607 ( 1268 PWs) bands (ev): 7.9936 7.9936 8.7061 8.7061 9.6515 9.6515 10.2498 10.2498 10.7594 10.7594 11.5656 11.5656 12.0829 12.0829 14.0703 14.0703 14.3380 14.3380 14.6963 14.6963 15.0537 15.0537 15.5749 15.5749 16.0044 16.0044 16.2263 16.2263 21.0847 21.0847 22.2081 22.2081 24.9530 24.9530 k = 0.5000 0.2887 0.3501 ( 1264 PWs) bands (ev): 7.9199 7.9199 8.7699 8.7699 9.5737 9.5737 10.2215 10.2215 10.7281 10.7281 11.3213 11.3213 12.2088 12.2088 14.0526 14.0526 14.5085 14.5085 14.7756 14.7756 15.0059 15.0059 15.6276 15.6276 16.0445 16.0445 16.3019 16.3019 20.9827 20.9827 22.3299 22.3299 24.9005 24.9005 k = 0.5000 0.2887 0.3395 ( 1264 PWs) bands (ev): 7.8465 7.8465 8.8308 8.8308 9.4951 9.4951 10.1555 10.1555 10.7342 10.7342 11.0698 11.0698 12.3496 12.3496 14.0151 14.0151 14.6515 14.6515 14.8752 14.8752 14.9688 14.9688 15.6807 15.6807 16.0991 16.0991 16.3882 16.3882 20.8828 20.8828 22.4531 22.4531 24.8458 24.8458 k = 0.5000 0.2887 0.3289 ( 1264 PWs) bands (ev): 7.7734 7.7734 8.8882 8.8882 9.4162 9.4162 10.0649 10.0649 10.7436 10.7436 10.8438 10.8438 12.4948 12.4948 13.9740 13.9740 14.7397 14.7397 14.9129 14.9129 15.0326 15.0326 15.7347 15.7347 16.1684 16.1684 16.4864 16.4864 20.7850 20.7850 22.5776 22.5776 24.7891 24.7891 k = 0.5000 0.2887 0.3183 ( 1260 PWs) bands (ev): 7.7009 7.7009 8.9401 8.9401 9.3378 9.3378 9.9610 9.9610 10.5581 10.5581 10.8342 10.8342 12.6416 12.6416 13.9327 13.9327 14.7702 14.7702 14.9178 14.9178 15.1661 15.1661 15.7896 15.7896 16.2506 16.2506 16.5979 16.5979 20.6892 20.6892 22.7032 22.7032 24.7304 24.7304 k = 0.5000 0.2887 0.3077 ( 1260 PWs) bands (ev): 7.6291 7.6291 8.9820 8.9820 9.2634 9.2634 9.8498 9.8498 10.3281 10.3281 10.8874 10.8874 12.7884 12.7884 13.8926 13.8926 14.7508 14.7508 14.9594 14.9594 15.2907 15.2907 15.8458 15.8458 16.3427 16.3427 16.7237 16.7237 20.5954 20.5954 22.8299 22.8299 24.6700 24.6700 k = 0.5000 0.2887 0.2971 ( 1260 PWs) bands (ev): 7.5580 7.5580 8.9993 8.9993 9.2056 9.2056 9.7329 9.7329 10.1105 10.1105 10.9480 10.9480 12.9340 12.9340 13.8545 13.8545 14.7130 14.7130 15.0157 15.0157 15.3993 15.3993 15.9035 15.9035 16.4404 16.4404 16.8630 16.8630 20.5038 20.5038 22.9575 22.9575 24.6079 24.6079 k = 0.5000 0.2887 0.2864 ( 1260 PWs) bands (ev): 7.4878 7.4878 8.9645 8.9645 9.1895 9.1895 9.6094 9.6094 9.9136 9.9136 11.0119 11.0119 13.0769 13.0769 13.8198 13.8198 14.6707 14.6707 15.0757 15.0757 15.4927 15.4927 15.9625 15.9625 16.5407 16.5407 17.0129 17.0129 20.4144 20.4144 23.0858 23.0858 24.5445 24.5445 k = 0.5000 0.2887 0.2758 ( 1274 PWs) bands (ev): 7.4186 7.4186 8.8796 8.8796 9.2091 9.2091 9.4782 9.4782 9.7445 9.7445 11.0778 11.0778 13.2144 13.2144 13.7907 13.7907 14.6277 14.6277 15.1369 15.1369 15.5741 15.5741 16.0230 16.0230 16.6415 16.6415 17.1690 17.1690 20.3271 20.3271 23.2146 23.2146 24.4798 24.4798 k = 0.5000 0.2887 0.2652 ( 1274 PWs) bands (ev): 7.3504 7.3504 8.7652 8.7652 9.2395 9.2395 9.3429 9.3429 9.6057 9.6057 11.1449 11.1449 13.3411 13.3411 13.7726 13.7726 14.5851 14.5851 15.1985 15.1985 15.6466 15.6466 16.0848 16.0848 16.7420 16.7420 17.3264 17.3264 20.2421 20.2421 23.3437 23.3437 24.4140 24.4140 k = 0.5000 0.2887 0.2546 ( 1278 PWs) bands (ev): 7.2833 7.2833 8.6294 8.6294 9.2122 9.2122 9.2672 9.2672 9.4948 9.4948 11.2128 11.2128 13.4439 13.4439 13.7778 13.7778 14.5439 14.5439 15.2603 15.2603 15.7127 15.7127 16.1475 16.1475 16.8421 16.8421 17.4806 17.4806 20.1594 20.1594 23.4731 23.4731 24.3475 24.3475 k = 0.5000 0.2887 0.2440 ( 1278 PWs) bands (ev): 7.2174 7.2174 8.4766 8.4766 9.0931 9.0931 9.2750 9.2750 9.4184 9.4184 11.2813 11.2813 13.5026 13.5026 13.8260 13.8260 14.5046 14.5046 15.3219 15.3219 15.7743 15.7743 16.2112 16.2112 16.9416 16.9416 17.6279 17.6279 20.0790 20.0790 23.6024 23.6024 24.2803 24.2803 k = 0.5000 0.2887 0.2334 ( 1274 PWs) bands (ev): 7.1526 7.1526 8.3122 8.3122 8.9868 8.9868 9.2342 9.2342 9.3998 9.3998 11.3500 11.3500 13.5161 13.5161 13.9173 13.9173 14.4679 14.4679 15.3834 15.3834 15.8328 15.8328 16.2754 16.2754 17.0405 17.0405 17.7653 17.7653 20.0011 20.0011 23.7314 23.7314 24.2130 24.2130 k = 0.5000 0.2887 0.2228 ( 1270 PWs) bands (ev): 7.0888 7.0888 8.1421 8.1421 8.8913 8.8913 9.1642 9.1642 9.4163 9.4163 11.4187 11.4187 13.5056 13.5056 14.0286 14.0286 14.4357 14.4357 15.4445 15.4445 15.8890 15.8890 16.3401 16.3401 17.1385 17.1385 17.8907 17.8907 19.9257 19.9257 23.8595 23.8595 24.1463 24.1463 k = 0.5000 0.2887 0.2122 ( 1270 PWs) bands (ev): 7.0260 7.0260 7.9711 7.9711 8.8041 8.8041 9.0908 9.0908 9.4405 9.4405 11.4873 11.4873 13.4855 13.4855 14.1403 14.1403 14.4130 14.4130 15.5052 15.5052 15.9434 15.9434 16.4051 16.4051 17.2353 17.2353 18.0026 18.0026 19.8530 19.8530 23.9815 23.9815 24.0854 24.0854 k = 0.5000 0.2887 0.2016 ( 1272 PWs) bands (ev): 6.9638 6.9638 7.8031 7.8031 8.7232 8.7232 9.0203 9.0203 9.4655 9.4655 11.5554 11.5554 13.4618 13.4618 14.2273 14.2273 14.4185 14.4185 15.5652 15.5652 15.9964 15.9964 16.4703 16.4703 17.3305 17.3305 18.1000 18.1000 19.7831 19.7831 23.9983 23.9983 24.1297 24.1297 k = 0.5000 0.2887 0.1910 ( 1272 PWs) bands (ev): 6.9019 6.9019 7.6408 7.6408 8.6474 8.6474 8.9540 8.9540 9.4895 9.4895 11.6229 11.6229 13.4369 13.4369 14.2556 14.2556 14.4835 14.4835 15.6245 15.6245 16.0481 16.0481 16.5355 16.5355 17.4235 17.4235 18.1826 18.1826 19.7161 19.7161 23.9360 23.9360 24.2535 24.2535 k = 0.5000 0.2887 0.1804 ( 1268 PWs) bands (ev): 6.8397 6.8397 7.4864 7.4864 8.5760 8.5760 8.8922 8.8922 9.5117 9.5117 11.6894 11.6894 13.4121 13.4121 14.2446 14.2446 14.5870 14.5870 15.6829 15.6829 16.0985 16.0985 16.6006 16.6006 17.5139 17.5139 18.2503 18.2503 19.6523 19.6523 23.8707 23.8707 24.3806 24.3806 k = 0.5000 0.2887 0.1697 ( 1260 PWs) bands (ev): 6.7765 6.7765 7.3422 7.3422 8.5084 8.5084 8.8348 8.8348 9.5321 9.5321 11.7546 11.7546 13.3878 13.3878 14.2227 14.2227 14.6998 14.6998 15.7403 15.7403 16.1475 16.1475 16.6657 16.6657 17.6008 17.6008 18.3037 18.3037 19.5919 19.5919 23.8060 23.8060 24.5079 24.5079 k = 0.5000 0.2887 0.1591 ( 1262 PWs) bands (ev): 6.7110 6.7110 7.2099 7.2099 8.4446 8.4446 8.7816 8.7816 9.5505 9.5505 11.8183 11.8183 13.3646 13.3646 14.1982 14.1982 14.8127 14.8127 15.7964 15.7964 16.1951 16.1951 16.7306 16.7306 17.6834 17.6834 18.3435 18.3435 19.5350 19.5350 23.7424 23.7424 24.6347 24.6347 k = 0.5000 0.2887 0.1485 ( 1262 PWs) bands (ev): 6.6421 6.6421 7.0917 7.0917 8.3844 8.3844 8.7326 8.7326 9.5672 9.5672 11.8801 11.8801 13.3425 13.3425 14.1737 14.1737 14.9228 14.9228 15.8510 15.8510 16.2410 16.2410 16.7954 16.7954 17.7608 17.7608 18.3709 18.3709 19.4819 19.4819 23.6806 23.6806 24.7603 24.7603 k = 0.5000 0.2887 0.1379 ( 1262 PWs) bands (ev): 6.5689 6.5689 6.9889 6.9889 8.3280 8.3280 8.6875 8.6875 9.5821 9.5821 11.9396 11.9396 13.3217 13.3217 14.1500 14.1500 15.0284 15.0284 15.9041 15.9041 16.2849 16.2849 16.8601 16.8601 17.8318 17.8318 18.3873 18.3873 19.4330 19.4330 23.6209 23.6209 24.8844 24.8844 k = 0.5000 0.2887 0.1273 ( 1266 PWs) bands (ev): 6.4915 6.4915 6.9018 6.9018 8.2754 8.2754 8.6462 8.6462 9.5953 9.5953 11.9966 11.9966 13.3024 13.3024 14.1276 14.1276 15.1288 15.1288 15.9552 15.9552 16.3268 16.3268 16.9246 16.9246 17.8949 17.8949 18.3948 18.3948 19.3886 19.3886 23.5638 23.5638 25.0062 25.0062 k = 0.5000 0.2887 0.1167 ( 1266 PWs) bands (ev): 6.4114 6.4114 6.8295 6.8295 8.2266 8.2266 8.6087 8.6087 9.6069 9.6069 12.0505 12.0505 13.2846 13.2846 14.1067 14.1067 15.2233 15.2233 16.0042 16.0042 16.3663 16.3663 16.9891 16.9891 17.9485 17.9485 18.3955 18.3955 19.3489 19.3489 23.5095 23.5095 25.1249 25.1249 k = 0.5000 0.2887 0.1061 ( 1264 PWs) bands (ev): 6.3310 6.3310 6.7698 6.7698 8.1818 8.1818 8.5746 8.5746 9.6172 9.6172 12.1012 12.1012 13.2683 13.2683 14.0874 14.0874 15.3112 15.3112 16.0507 16.0507 16.4033 16.4033 17.0535 17.0535 17.9905 17.9905 18.3923 18.3923 19.3141 19.3141 23.4584 23.4584 25.2393 25.2393 k = 0.5000 0.2887 0.0955 ( 1268 PWs) bands (ev): 6.2529 6.2529 6.7203 6.7203 8.1410 8.1410 8.5440 8.5440 9.6261 9.6261 12.1483 12.1483 13.2535 13.2535 14.0698 14.0698 15.3922 15.3922 16.0943 16.0943 16.4374 16.4374 17.1178 17.1178 18.0183 18.0183 18.3883 18.3883 19.2844 19.2844 23.4110 23.4110 25.3483 25.3483 k = 0.5000 0.2887 0.0849 ( 1272 PWs) bands (ev): 6.1794 6.1794 6.6791 6.6791 8.1043 8.1043 8.5169 8.5169 9.6337 9.6337 12.1914 12.1914 13.2404 13.2404 14.0540 14.0540 15.4658 15.4658 16.1349 16.1349 16.4684 16.4684 17.1821 17.1821 18.0301 18.0301 18.3863 18.3863 19.2598 19.2598 23.3674 23.3674 25.4506 25.4506 k = 0.5000 0.2887 0.0743 ( 1272 PWs) bands (ev): 6.1120 6.1120 6.6447 6.6447 8.0718 8.0718 8.4930 8.4930 9.6403 9.6403 12.2302 12.2302 13.2289 13.2289 14.0400 14.0400 15.5316 15.5316 16.1718 16.1718 16.4963 16.4963 17.2464 17.2464 18.0254 18.0254 18.3878 18.3878 19.2402 19.2402 23.3282 23.3282 25.5444 25.5444 k = 0.5000 0.2887 0.0637 ( 1270 PWs) bands (ev): 6.0521 6.0521 6.6162 6.6162 8.0435 8.0435 8.4724 8.4724 9.6458 9.6458 12.2644 12.2644 13.2190 13.2190 14.0278 14.0278 15.5893 15.5893 16.2049 16.2049 16.5207 16.5207 17.3105 17.3105 18.0057 18.0057 18.3925 18.3925 19.2252 19.2252 23.2934 23.2934 25.6284 25.6284 k = 0.5000 0.2887 0.0530 ( 1270 PWs) bands (ev): 6.0004 6.0004 6.5928 6.5928 8.0194 8.0194 8.4551 8.4551 9.6503 9.6503 12.2938 12.2938 13.2106 13.2106 14.0174 14.0174 15.6387 15.6387 16.2336 16.2336 16.5416 16.5416 17.3742 17.3742 17.9741 17.9741 18.3989 18.3989 19.2144 19.2144 23.2636 23.2636 25.7010 25.7010 k = 0.5000 0.2887 0.0424 ( 1274 PWs) bands (ev): 5.9575 5.9575 6.5741 6.5741 7.9997 7.9997 8.4409 8.4409 9.6539 9.6539 12.3182 12.3182 13.2038 13.2038 14.0089 14.0089 15.6794 15.6794 16.2576 16.2576 16.5589 16.5589 17.4373 17.4373 17.9338 17.9338 18.4053 18.4053 19.2069 19.2069 23.2388 23.2388 25.7610 25.7610 k = 0.5000 0.2887 0.0318 ( 1274 PWs) bands (ev): 5.9238 5.9238 6.5597 6.5597 7.9843 7.9843 8.4299 8.4299 9.6566 9.6566 12.3373 12.3373 13.1986 13.1986 14.0023 14.0023 15.7113 15.7113 16.2767 16.2767 16.5724 16.5724 17.4988 17.4988 17.8878 17.8878 18.4108 18.4108 19.2022 19.2022 23.2192 23.2192 25.8078 25.8078 k = 0.5000 0.2887 0.0212 ( 1270 PWs) bands (ev): 5.8996 5.8996 6.5497 6.5497 7.9733 7.9733 8.4221 8.4221 9.6586 9.6586 12.3511 12.3511 13.1949 13.1949 13.9976 13.9976 15.7342 15.7342 16.2905 16.2905 16.5820 16.5820 17.5572 17.5572 17.8395 17.8395 18.4148 18.4148 19.1994 19.1994 23.2052 23.2052 25.8412 25.8412 k = 0.5000 0.2887 0.0106 ( 1274 PWs) bands (ev): 5.8849 5.8849 6.5436 6.5436 7.9667 7.9667 8.4174 8.4174 9.6597 9.6597 12.3593 12.3593 13.1926 13.1926 13.9947 13.9947 15.7480 15.7480 16.2989 16.2989 16.5879 16.5879 17.6072 17.6072 17.7952 17.7952 18.4172 18.4172 19.1980 19.1980 23.1967 23.1967 25.8611 25.8611 k = 0.5000 0.2887-0.0000 ( 1270 PWs) bands (ev): 5.8801 5.8801 6.5417 6.5417 7.9645 7.9645 8.4158 8.4158 9.6601 9.6601 12.3621 12.3621 13.1919 13.1919 13.9938 13.9938 15.7526 15.7526 16.3017 16.3017 16.5898 16.5898 17.6308 17.6308 17.7735 17.7735 18.4180 18.4180 19.1976 19.1976 23.1939 23.1939 25.8678 25.8678 k = 0.3333 0.5774-0.0000 ( 1272 PWs) bands (ev): 6.0200 6.0200 6.9367 6.9367 7.2235 7.2235 9.4385 9.4385 9.6168 9.6168 11.6531 11.6531 13.3141 13.3141 13.9377 13.9377 14.9691 14.9691 15.3042 15.3042 17.6653 17.6653 18.4142 18.4142 18.7433 18.7433 19.0680 19.0680 20.8589 20.8589 20.9334 20.9334 23.4735 23.4735 k = 0.3333 0.5774 0.0106 ( 1266 PWs) bands (ev): 6.0254 6.0254 6.9384 6.9384 7.2253 7.2253 9.4391 9.4391 9.6176 9.6176 11.6544 11.6544 13.3123 13.3123 13.9356 13.9356 14.9683 14.9683 15.3031 15.3031 17.6549 17.6549 18.4126 18.4126 18.7475 18.7475 19.0654 19.0654 20.8544 20.8544 20.9304 20.9304 23.4795 23.4795 k = 0.3333 0.5774 0.0212 ( 1266 PWs) bands (ev): 6.0415 6.0415 6.9435 6.9435 7.2307 7.2307 9.4408 9.4408 9.6201 9.6201 11.6582 11.6582 13.3068 13.3068 13.9293 13.9293 14.9659 14.9659 15.2998 15.2998 17.6246 17.6246 18.4076 18.4076 18.7595 18.7595 19.0576 19.0576 20.8410 20.8410 20.9215 20.9215 23.4974 23.4974 k = 0.3333 0.5774 0.0318 ( 1269 PWs) bands (ev): 6.0683 6.0683 6.9519 6.9519 7.2397 7.2397 9.4437 9.4437 9.6241 9.6241 11.6647 11.6647 13.2979 13.2979 13.9187 13.9187 14.9617 14.9617 15.2941 15.2941 17.5764 17.5764 18.3993 18.3993 18.7772 18.7772 19.0446 19.0446 20.8192 20.8192 20.9069 20.9069 23.5268 23.5268 k = 0.3333 0.5774 0.0424 ( 1263 PWs) bands (ev): 6.1059 6.1059 6.9636 6.9636 7.2523 7.2523 9.4477 9.4477 9.6297 9.6297 11.6738 11.6738 13.2854 13.2854 13.9041 13.9041 14.9558 14.9558 15.2861 15.2861 17.5129 17.5129 18.3880 18.3880 18.7976 18.7976 19.0268 19.0268 20.7895 20.7895 20.8872 20.8872 23.5672 23.5672 k = 0.3333 0.5774 0.0530 ( 1269 PWs) bands (ev): 6.1541 6.1541 6.9786 6.9786 7.2683 7.2683 9.4528 9.4528 9.6369 9.6369 11.6855 11.6855 13.2694 13.2694 13.8856 13.8856 14.9481 14.9481 15.2755 15.2755 17.4368 17.4368 18.3739 18.3739 18.8178 18.8178 19.0043 19.0043 20.7526 20.7526 20.8628 20.8628 23.6178 23.6178 k = 0.3333 0.5774 0.0637 ( 1269 PWs) bands (ev): 6.2129 6.2129 6.9969 6.9969 7.2879 7.2879 9.4590 9.4590 9.6457 9.6457 11.6997 11.6997 13.2502 13.2502 13.8632 13.8632 14.9382 14.9382 15.2622 15.2622 17.3506 17.3506 18.3573 18.3573 18.8352 18.8352 18.9775 18.9775 20.7093 20.7093 20.8342 20.8342 23.6780 23.6780 k = 0.3333 0.5774 0.0743 ( 1266 PWs) bands (ev): 6.2823 6.2823 7.0185 7.0185 7.3109 7.3109 9.4663 9.4663 9.6561 9.6561 11.7165 11.7165 13.2279 13.2279 13.8373 13.8373 14.9262 14.9262 15.2460 15.2460 17.2563 17.2563 18.3387 18.3387 18.8473 18.8473 18.9468 18.9468 20.6607 20.6607 20.8021 20.8021 23.7468 23.7468 k = 0.3333 0.5774 0.0849 ( 1266 PWs) bands (ev): 6.3620 6.3620 7.0432 7.0432 7.3373 7.3373 9.4745 9.4745 9.6680 9.6680 11.7359 11.7359 13.2025 13.2025 13.8079 13.8079 14.9118 14.9118 15.2268 15.2268 17.1555 17.1555 18.3185 18.3185 18.8523 18.8523 18.9126 18.9126 20.6074 20.6074 20.7669 20.7669 23.8235 23.8235 k = 0.3333 0.5774 0.0955 ( 1266 PWs) bands (ev): 6.4521 6.4521 7.0711 7.0711 7.3670 7.3670 9.4838 9.4838 9.6814 9.6814 11.7579 11.7579 13.1742 13.1742 13.7753 13.7753 14.8948 14.8948 15.2043 15.2043 17.0495 17.0495 18.2971 18.2971 18.8485 18.8485 18.8755 18.8755 20.5503 20.5503 20.7289 20.7289 23.9071 23.9071 k = 0.3333 0.5774 0.1061 ( 1266 PWs) bands (ev): 6.5523 6.5523 7.1022 7.1022 7.3999 7.3999 9.4940 9.4940 9.6963 9.6963 11.7824 11.7824 13.1434 13.1434 13.7398 13.7398 14.8749 14.8749 15.1783 15.1783 16.9394 16.9394 18.2750 18.2750 18.8346 18.8346 18.8359 18.8359 20.4901 20.4901 20.6884 20.6884 23.9969 23.9969 k = 0.3333 0.5774 0.1167 ( 1266 PWs) bands (ev): 6.6625 6.6625 7.1362 7.1362 7.4358 7.4358 9.5051 9.5051 9.7126 9.7126 11.8095 11.8095 13.1100 13.1100 13.7016 13.7016 14.8520 14.8520 15.1487 15.1487 16.8260 16.8260 18.2528 18.2528 18.7945 18.7945 18.8097 18.8097 20.4275 20.4275 20.6454 20.6454 24.0920 24.0920 k = 0.3333 0.5774 0.1273 ( 1266 PWs) bands (ev): 6.7825 6.7825 7.1734 7.1734 7.4747 7.4747 9.5170 9.5170 9.7304 9.7304 11.8392 11.8392 13.0744 13.0744 13.6609 13.6609 14.8259 14.8259 15.1154 15.1154 16.7100 16.7100 18.2308 18.2308 18.7519 18.7519 18.7730 18.7730 20.3630 20.3630 20.6000 20.6000 24.1918 24.1918 k = 0.3333 0.5774 0.1379 ( 1275 PWs) bands (ev): 6.9116 6.9116 7.2139 7.2139 7.5165 7.5165 9.5296 9.5296 9.7495 9.7495 11.8713 11.8713 13.0367 13.0367 13.6181 13.6181 14.7964 14.7964 15.0783 15.0783 16.5920 16.5920 18.2096 18.2096 18.7087 18.7087 18.7239 18.7239 20.2971 20.2971 20.5519 20.5519 24.2956 24.2956 k = 0.3333 0.5774 0.1485 ( 1275 PWs) bands (ev): 7.0491 7.0491 7.2584 7.2584 7.5609 7.5609 9.5430 9.5430 9.7699 9.7699 11.9060 11.9060 12.9972 12.9972 13.5733 13.5733 14.7633 14.7633 15.0374 15.0374 16.4724 16.4724 18.1894 18.1894 18.6621 18.6621 18.6655 18.6655 20.2303 20.2303 20.5011 20.5011 24.4026 24.4026 k = 0.3333 0.5774 0.1591 ( 1269 PWs) bands (ev): 7.1906 7.1906 7.3109 7.3109 7.6079 7.6079 9.5570 9.5570 9.7917 9.7917 11.9431 11.9431 12.9561 12.9561 13.5269 13.5269 14.7265 14.7265 14.9926 14.9926 16.3517 16.3517 18.1704 18.1704 18.5874 18.5874 18.6230 18.6230 20.1629 20.1629 20.4475 20.4475 24.5124 24.5124 k = 0.3333 0.5774 0.1697 ( 1269 PWs) bands (ev): 7.3091 7.3091 7.3979 7.3979 7.6572 7.6572 9.5715 9.5715 9.8146 9.8146 11.9828 11.9828 12.9136 12.9136 13.4791 13.4791 14.6860 14.6860 14.9442 14.9442 16.2302 16.2302 18.1523 18.1523 18.5001 18.5001 18.5817 18.5817 20.0953 20.0953 20.3910 20.3910 24.6242 24.6242 k = 0.3333 0.5774 0.1804 ( 1269 PWs) bands (ev): 7.3771 7.3771 7.5466 7.5466 7.7086 7.7086 9.5865 9.5865 9.8387 9.8387 12.0249 12.0249 12.8699 12.8699 13.4303 13.4303 14.6416 14.6416 14.8923 14.8923 16.1083 16.1083 18.1337 18.1337 18.4018 18.4018 18.5421 18.5421 20.0276 20.0276 20.3316 20.3316 24.7374 24.7374 k = 0.3333 0.5774 0.1910 ( 1275 PWs) bands (ev): 7.4323 7.4323 7.7189 7.7189 7.7619 7.7619 9.6018 9.6018 9.8638 9.8638 12.0695 12.0695 12.8254 12.8254 13.3807 13.3807 14.5935 14.5935 14.8371 14.8371 15.9862 15.9862 18.1091 18.1091 18.2980 18.2980 18.5048 18.5048 19.9602 19.9602 20.2696 20.2696 24.8515 24.8515 k = 0.3333 0.5774 0.2016 ( 1263 PWs) bands (ev): 7.4864 7.4864 7.8168 7.8168 7.9027 7.9027 9.6176 9.6176 9.8899 9.8899 12.1165 12.1165 12.7802 12.7802 13.3306 13.3306 14.5417 14.5417 14.7790 14.7790 15.8641 15.8641 18.0568 18.0568 18.2104 18.2104 18.4702 18.4702 19.8933 19.8933 20.2051 20.2051 24.9660 24.9660 k = 0.3333 0.5774 0.2122 ( 1266 PWs) bands (ev): 7.5410 7.5410 7.8732 7.8732 8.0956 8.0956 9.6336 9.6336 9.9168 9.9168 12.1658 12.1658 12.7346 12.7346 13.2803 13.2803 14.4865 14.4865 14.7183 14.7183 15.7424 15.7424 17.9474 17.9474 18.1686 18.1686 18.4386 18.4386 19.8270 19.8270 20.1387 20.1387 25.0802 25.0802 k = 0.3333 0.5774 0.2228 ( 1266 PWs) bands (ev): 7.5964 7.5964 7.9306 7.9306 8.2967 8.2967 9.6500 9.6500 9.9445 9.9445 12.2175 12.2175 12.6889 12.6889 13.2302 13.2302 14.4281 14.4281 14.6554 14.6554 15.6212 15.6212 17.7988 17.7988 18.1548 18.1548 18.4103 18.4103 19.7615 19.7615 20.0707 20.0707 25.1937 25.1937 k = 0.3333 0.5774 0.2334 ( 1266 PWs) bands (ev): 7.6525 7.6525 7.9889 7.9889 8.5053 8.5053 9.6669 9.6669 9.9729 9.9729 12.2715 12.2715 12.6433 12.6433 13.1805 13.1805 14.3669 14.3669 14.5909 14.5909 15.5007 15.5007 17.6285 17.6285 18.1518 18.1518 18.3856 18.3856 19.6969 19.6969 20.0016 20.0016 25.3057 25.3057 k = 0.3333 0.5774 0.2440 ( 1272 PWs) bands (ev): 7.7092 7.7092 8.0475 8.0475 8.7203 8.7203 9.6848 9.6848 10.0017 10.0017 12.3276 12.3276 12.5980 12.5980 13.1317 13.1317 14.3033 14.3033 14.5252 14.5252 15.3811 15.3811 17.4418 17.4418 18.1545 18.1545 18.3646 18.3646 19.6335 19.6335 19.9321 19.9321 25.4158 25.4158 k = 0.3333 0.5774 0.2546 ( 1272 PWs) bands (ev): 7.7660 7.7660 8.1062 8.1062 8.9404 8.9404 9.7046 9.7046 10.0308 10.0308 12.3858 12.3858 12.5535 12.5535 13.0841 13.0841 14.2377 14.2377 14.4589 14.4589 15.2626 15.2626 17.2408 17.2408 18.1615 18.1615 18.3473 18.3473 19.5714 19.5714 19.8626 19.8626 25.5234 25.5234 k = 0.3333 0.5774 0.2652 ( 1272 PWs) bands (ev): 7.8228 7.8228 8.1645 8.1645 9.1621 9.1621 9.7293 9.7293 10.0600 10.0600 12.4458 12.4458 12.5099 12.5099 13.0382 13.0382 14.1709 14.1709 14.3925 14.3925 15.1453 15.1453 17.0267 17.0267 18.1719 18.1719 18.3338 18.3338 19.5106 19.5106 19.7935 19.7935 25.6279 25.6279 k = 0.3333 0.5774 0.2758 ( 1272 PWs) bands (ev): 7.8790 7.8790 8.2220 8.2220 9.3757 9.3757 9.7681 9.7681 10.0892 10.0892 12.4675 12.4675 12.5074 12.5074 12.9947 12.9947 14.1034 14.1034 14.3266 14.3266 15.0295 15.0295 16.8007 16.8007 18.1854 18.1854 18.3239 18.3239 19.4515 19.4515 19.7255 19.7255 25.7286 25.7286 k = 0.3333 0.5774 0.2864 ( 1272 PWs) bands (ev): 7.9343 7.9343 8.2783 8.2783 9.5496 9.5496 9.8520 9.8520 10.1180 10.1180 12.4267 12.4267 12.5698 12.5698 12.9545 12.9545 14.0360 14.0360 14.2616 14.2616 14.9152 14.9152 16.5639 16.5639 18.2016 18.2016 18.3176 18.3176 19.3942 19.3942 19.6588 19.6588 25.8250 25.8250 k = 0.3333 0.5774 0.2971 ( 1272 PWs) bands (ev): 7.9882 7.9882 8.3328 8.3328 9.6422 9.6422 10.0222 10.0222 10.1463 10.1463 12.3877 12.3877 12.6315 12.6315 12.9194 12.9194 13.9695 13.9695 14.1980 14.1980 14.8028 14.8028 16.3175 16.3175 18.2200 18.2200 18.3147 18.3147 19.3389 19.3389 19.5938 19.5938 25.9165 25.9165 k = 0.3333 0.5774 0.3077 ( 1272 PWs) bands (ev): 8.0402 8.0402 8.3851 8.3851 9.6817 9.6817 10.1738 10.1738 10.2498 10.2498 12.3508 12.3508 12.6883 12.6883 12.8938 12.8938 13.9045 13.9045 14.1363 14.1363 14.6925 14.6925 16.0627 16.0627 18.2405 18.2405 18.3148 18.3148 19.2859 19.2859 19.5311 19.5311 26.0025 26.0025 k = 0.3333 0.5774 0.3183 ( 1278 PWs) bands (ev): 8.0898 8.0898 8.4346 8.4346 9.7025 9.7025 10.2001 10.2001 10.4998 10.4998 12.3164 12.3164 12.7290 12.7290 12.8895 12.8895 13.8421 13.8421 14.0765 14.0765 14.5845 14.5845 15.8010 15.8010 18.2625 18.2625 18.3177 18.3177 19.2353 19.2353 19.4709 19.4709 26.0823 26.0823 k = 0.3333 0.5774 0.3289 ( 1278 PWs) bands (ev): 8.1364 8.1364 8.4807 8.4807 9.7158 9.7158 10.2249 10.2249 10.7602 10.7602 12.2847 12.2847 12.7397 12.7397 12.9204 12.9204 13.7831 13.7831 14.0187 14.0187 14.4793 14.4793 15.5342 15.5342 18.2857 18.2857 18.3229 18.3229 19.1877 19.1877 19.4138 19.4138 26.1555 26.1555 k = 0.3333 0.5774 0.3395 ( 1278 PWs) bands (ev): 8.1795 8.1795 8.5231 8.5231 9.7251 9.7251 10.2479 10.2479 11.0268 11.0268 12.2560 12.2560 12.7294 12.7294 12.9780 12.9780 13.7283 13.7283 13.9625 13.9625 14.3769 14.3769 15.2643 15.2643 18.3093 18.3093 18.3301 18.3301 19.1434 19.1434 19.3603 19.3603 26.2215 26.2215 k = 0.3333 0.5774 0.3501 ( 1278 PWs) bands (ev): 8.2184 8.2184 8.5611 8.5611 9.7318 9.7318 10.2688 10.2688 11.2967 11.2967 12.2306 12.2306 12.7137 12.7137 13.0470 13.0470 13.6786 13.6786 13.9070 13.9070 14.2776 14.2776 14.9945 14.9945 18.3329 18.3329 18.3386 18.3386 19.1028 19.1028 19.3110 19.3110 26.2798 26.2798 k = 0.3333 0.5774 0.3607 ( 1284 PWs) bands (ev): 8.2525 8.2525 8.5941 8.5941 9.7366 9.7366 10.2872 10.2872 11.5673 11.5673 12.2086 12.2086 12.6999 12.6999 13.1210 13.1210 13.6349 13.6349 13.8501 13.8501 14.1800 14.1800 14.7308 14.7308 18.3477 18.3477 18.3555 18.3555 19.0666 19.0666 19.2667 19.2667 26.3299 26.3299 k = 0.3333 0.5774 0.3713 ( 1284 PWs) bands (ev): 8.2814 8.2814 8.6219 8.6219 9.7401 9.7401 10.3027 10.3027 11.8342 11.8342 12.1904 12.1904 12.6925 12.6925 13.1970 13.1970 13.5979 13.5979 13.7885 13.7885 14.0782 14.0782 14.4858 14.4858 18.3569 18.3569 18.3763 18.3763 19.0354 19.0354 19.2282 19.2282 26.3715 26.3715 k = 0.3333 0.5774 0.3819 ( 1278 PWs) bands (ev): 8.3045 8.3045 8.6440 8.6440 9.7424 9.7424 10.3152 10.3152 12.0881 12.0881 12.1760 12.1760 12.6989 12.6989 13.2719 13.2719 13.5684 13.5684 13.7157 13.7157 13.9554 13.9554 14.2888 14.2888 18.3652 18.3652 18.3942 18.3942 19.0101 19.0101 19.1966 19.1966 26.4043 26.4043 k = 0.3333 0.5774 0.3925 ( 1284 PWs) bands (ev): 8.3213 8.3213 8.6600 8.6600 9.7439 9.7439 10.3243 10.3243 12.1657 12.1657 12.3041 12.3041 12.7380 12.7380 13.3368 13.3368 13.5468 13.5468 13.6198 13.6198 13.8090 13.8090 14.1695 14.1695 18.3719 18.3719 18.4081 18.4081 18.9912 18.9912 19.1729 19.1729 26.4278 26.4278 k = 0.3333 0.5774 0.4031 ( 1284 PWs) bands (ev): 8.3315 8.3315 8.6697 8.6697 9.7448 9.7448 10.3298 10.3298 12.1594 12.1594 12.4339 12.4339 12.8399 12.8399 13.3411 13.3411 13.5316 13.5316 13.5337 13.5337 13.6921 13.6921 14.1135 14.1135 18.3763 18.3763 18.4169 18.4169 18.9796 18.9796 19.1582 19.1582 26.4420 26.4420 k = 0.3333 0.5774 0.4138 ( 1290 PWs) bands (ev): 8.3349 8.3349 8.6730 8.6730 9.7450 9.7450 10.3317 10.3317 12.1573 12.1573 12.4696 12.4696 12.9279 12.9279 13.2757 13.2757 13.5293 13.5293 13.5331 13.5331 13.6401 13.6401 14.0972 14.0972 18.3778 18.3778 18.4199 18.4199 18.9756 18.9756 19.1532 19.1532 26.4468 26.4468 Writing output data file BPt.save init_run : 0.32s CPU 0.86s WALL ( 1 calls) electrons : 93.42s CPU 98.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.23s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 93.42s CPU 98.63s 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 : 87.33s CPU 89.24s WALL ( 838 calls) Called by sum_band: Called by *egterg: h_psi : 36.55s CPU 37.89s WALL ( 12864 calls) s_psi : 2.98s CPU 3.17s WALL ( 12864 calls) g_psi : 0.08s CPU 0.09s WALL ( 11600 calls) cdiaghg : 45.36s CPU 45.78s WALL ( 12026 calls) cegterg:over : 2.59s CPU 2.69s WALL ( 11600 calls) cegterg:upda : 1.70s CPU 1.80s WALL ( 11600 calls) cegterg:last : 0.99s CPU 1.02s WALL ( 2116 calls) cdiaghg:chol : 2.03s CPU 2.25s WALL ( 12026 calls) cdiaghg:inve : 1.03s CPU 1.04s WALL ( 12026 calls) cdiaghg:para : 2.80s CPU 2.77s WALL ( 24052 calls) Called by h_psi: h_psi:vloc : 30.66s CPU 31.91s WALL ( 12864 calls) h_psi:vnl : 5.82s CPU 5.92s WALL ( 12864 calls) add_vuspsi : 3.06s CPU 3.14s WALL ( 12864 calls) General routines calbec : 2.73s CPU 2.74s WALL ( 12864 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.15s CPU 29.33s WALL ( 890668 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.23s WALL ( 852 calls) Parallel routines fft_scatter : 15.81s CPU 16.40s WALL ( 890691 calls) PWSCF : 1m43.09s CPU 2m26.20s WALL This run was terminated on: 15:46:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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