Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:15 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: ./NbS2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P 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 20 14 4 1554 940 154 Max 21 15 5 1567 967 167 Sum 721 511 163 56037 34221 5701 bravais-lattice index = 14 lattice parameter (alat) = 6.2550 a.u. unit-cell volume = 761.3160 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.254993 celldm(2)= 1.000000 celldm(3)= 3.592145 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 3.592145 ) 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 0.278385 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 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 S 6.00 32.06500 S( 1.00) Nb 13.00 92.90640 Nb( 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 ) ( -1.7960725 ) 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 ) ( 1.7960725 ) 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 ) ( -1.7960725 ) 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 ) ( -1.7960725 ) 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 ) ( 1.7960725 ) 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 ) ( 1.7960725 ) 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 ) ( 1.7960725 ) 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 ) ( -1.7960725 ) 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 ) ( 1.7960725 ) 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 ) ( 1.7960725 ) 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 ) ( -1.7960725 ) 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 ) ( -1.7960725 ) 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= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0090909 0.0052486 -0.0000000), wk = 0.0028329 k( 3) = ( 0.0181818 0.0104973 -0.0000000), wk = 0.0028329 k( 4) = ( 0.0272727 0.0157459 -0.0000000), wk = 0.0028329 k( 5) = ( 0.0363636 0.0209946 -0.0000000), wk = 0.0028329 k( 6) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0028329 k( 7) = ( 0.0545455 0.0314918 -0.0000000), wk = 0.0028329 k( 8) = ( 0.0636364 0.0367405 -0.0000000), wk = 0.0028329 k( 9) = ( 0.0727273 0.0419891 -0.0000000), wk = 0.0028329 k( 10) = ( 0.0818182 0.0472377 -0.0000000), wk = 0.0028329 k( 11) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0028329 k( 12) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0028329 k( 13) = ( 0.1090909 0.0629837 -0.0000000), wk = 0.0028329 k( 14) = ( 0.1181818 0.0682323 -0.0000000), wk = 0.0028329 k( 15) = ( 0.1272727 0.0734809 -0.0000000), wk = 0.0028329 k( 16) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0028329 k( 17) = ( 0.1454545 0.0839782 -0.0000000), wk = 0.0028329 k( 18) = ( 0.1545455 0.0892269 -0.0000000), wk = 0.0028329 k( 19) = ( 0.1636364 0.0944755 -0.0000000), wk = 0.0028329 k( 20) = ( 0.1727273 0.0997241 -0.0000000), wk = 0.0028329 k( 21) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0028329 k( 22) = ( 0.1909091 0.1102214 -0.0000000), wk = 0.0028329 k( 23) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0028329 k( 24) = ( 0.2090909 0.1207187 -0.0000000), wk = 0.0028329 k( 25) = ( 0.2181818 0.1259673 -0.0000000), wk = 0.0028329 k( 26) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0028329 k( 27) = ( 0.2363636 0.1364646 -0.0000000), wk = 0.0028329 k( 28) = ( 0.2454545 0.1417133 -0.0000000), wk = 0.0028329 k( 29) = ( 0.2545455 0.1469619 -0.0000000), wk = 0.0028329 k( 30) = ( 0.2636364 0.1522105 -0.0000000), wk = 0.0028329 k( 31) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0028329 k( 32) = ( 0.2818182 0.1627078 -0.0000000), wk = 0.0028329 k( 33) = ( 0.2909091 0.1679564 -0.0000000), wk = 0.0028329 k( 34) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0028329 k( 35) = ( 0.3090909 0.1784537 -0.0000000), wk = 0.0028329 k( 36) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0028329 k( 37) = ( 0.3272727 0.1889510 -0.0000000), wk = 0.0028329 k( 38) = ( 0.3363636 0.1941996 -0.0000000), wk = 0.0028329 k( 39) = ( 0.3454546 0.1994483 -0.0000000), wk = 0.0028329 k( 40) = ( 0.3545454 0.2046969 -0.0000000), wk = 0.0028329 k( 41) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0028329 k( 42) = ( 0.3727273 0.2151942 -0.0000000), wk = 0.0028329 k( 43) = ( 0.3818182 0.2204428 -0.0000000), wk = 0.0028329 k( 44) = ( 0.3909091 0.2256915 -0.0000000), wk = 0.0028329 k( 45) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0028329 k( 46) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0028329 k( 47) = ( 0.4181818 0.2414374 -0.0000000), wk = 0.0028329 k( 48) = ( 0.4272727 0.2466860 -0.0000000), wk = 0.0028329 k( 49) = ( 0.4363636 0.2519347 -0.0000000), wk = 0.0028329 k( 50) = ( 0.4454546 0.2571833 -0.0000000), wk = 0.0028329 k( 51) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0028329 k( 52) = ( 0.4636364 0.2676806 -0.0000000), wk = 0.0028329 k( 53) = ( 0.4727273 0.2729292 -0.0000000), wk = 0.0028329 k( 54) = ( 0.4818182 0.2781779 -0.0000000), wk = 0.0028329 k( 55) = ( 0.4909091 0.2834265 -0.0000000), wk = 0.0028329 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 58) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0028329 k( 59) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0028329 k( 60) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0028329 k( 61) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0028329 k( 62) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0028329 k( 63) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0028329 k( 64) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0028329 k( 65) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028329 k( 66) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0028329 k( 67) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0028329 k( 68) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0028329 k( 69) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0028329 k( 70) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0028329 k( 71) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0028329 k( 72) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0028329 k( 73) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028329 k( 74) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0028329 k( 75) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0028329 k( 76) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0028329 k( 77) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0028329 k( 78) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0028329 k( 79) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0028329 k( 80) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0028329 k( 81) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028329 k( 82) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0028329 k( 83) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0028329 k( 84) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0028329 k( 85) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0028329 k( 86) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0028329 k( 87) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0028329 k( 88) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0028329 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 91) = ( 0.3281250 0.5683292 -0.0000000), wk = 0.0028329 k( 92) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0028329 k( 93) = ( 0.3177083 0.5502870 -0.0000000), wk = 0.0028329 k( 94) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0028329 k( 95) = ( 0.3072917 0.5322448 -0.0000000), wk = 0.0028329 k( 96) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0028329 k( 97) = ( 0.2968750 0.5142026 -0.0000000), wk = 0.0028329 k( 98) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0028329 k( 99) = ( 0.2864583 0.4961604 -0.0000000), wk = 0.0028329 k( 100) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0028329 k( 101) = ( 0.2760417 0.4781182 -0.0000000), wk = 0.0028329 k( 102) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0028329 k( 103) = ( 0.2656250 0.4600760 -0.0000000), wk = 0.0028329 k( 104) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0028329 k( 105) = ( 0.2552083 0.4420338 -0.0000000), wk = 0.0028329 k( 106) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028329 k( 107) = ( 0.2447917 0.4239916 -0.0000000), wk = 0.0028329 k( 108) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0028329 k( 109) = ( 0.2343750 0.4059494 -0.0000000), wk = 0.0028329 k( 110) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0028329 k( 111) = ( 0.2239583 0.3879072 -0.0000000), wk = 0.0028329 k( 112) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0028329 k( 113) = ( 0.2135417 0.3698650 -0.0000000), wk = 0.0028329 k( 114) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0028329 k( 115) = ( 0.2031250 0.3518228 -0.0000000), wk = 0.0028329 k( 116) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0028329 k( 117) = ( 0.1927083 0.3337806 -0.0000000), wk = 0.0028329 k( 118) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0028329 k( 119) = ( 0.1822917 0.3157384 -0.0000000), wk = 0.0028329 k( 120) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0028329 k( 121) = ( 0.1718750 0.2976962 -0.0000000), wk = 0.0028329 k( 122) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028329 k( 123) = ( 0.1614583 0.2796540 -0.0000000), wk = 0.0028329 k( 124) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0028329 k( 125) = ( 0.1510417 0.2616118 -0.0000000), wk = 0.0028329 k( 126) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0028329 k( 127) = ( 0.1406250 0.2435696 -0.0000000), wk = 0.0028329 k( 128) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0028329 k( 129) = ( 0.1302083 0.2255274 -0.0000000), wk = 0.0028329 k( 130) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0028329 k( 131) = ( 0.1197917 0.2074853 -0.0000000), wk = 0.0028329 k( 132) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0028329 k( 133) = ( 0.1093750 0.1894431 -0.0000000), wk = 0.0028329 k( 134) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0028329 k( 135) = ( 0.0989583 0.1714009 -0.0000000), wk = 0.0028329 k( 136) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0028329 k( 137) = ( 0.0885417 0.1533587 -0.0000000), wk = 0.0028329 k( 138) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028329 k( 139) = ( 0.0781250 0.1353165 -0.0000000), wk = 0.0028329 k( 140) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0028329 k( 141) = ( 0.0677083 0.1172743 -0.0000000), wk = 0.0028329 k( 142) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0028329 k( 143) = ( 0.0572917 0.0992321 -0.0000000), wk = 0.0028329 k( 144) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0028329 k( 145) = ( 0.0468750 0.0811899 -0.0000000), wk = 0.0028329 k( 146) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0028329 k( 147) = ( 0.0364583 0.0631477 -0.0000000), wk = 0.0028329 k( 148) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0028329 k( 149) = ( 0.0260417 0.0451055 -0.0000000), wk = 0.0028329 k( 150) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0028329 k( 151) = ( 0.0156250 0.0270633 -0.0000000), wk = 0.0028329 k( 152) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0028329 k( 153) = ( 0.0052083 0.0090211 -0.0000000), wk = 0.0028329 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 156) = ( 0.0000000 0.0000000 0.0099423), wk = 0.0028329 k( 157) = ( 0.0000000 0.0000000 0.0198847), wk = 0.0028329 k( 158) = ( 0.0000000 0.0000000 0.0298270), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.0397693), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.0497116), wk = 0.0028329 k( 161) = ( 0.0000000 0.0000000 0.0596540), wk = 0.0028329 k( 162) = ( 0.0000000 0.0000000 0.0695963), wk = 0.0028329 k( 163) = ( 0.0000000 0.0000000 0.0795386), wk = 0.0028329 k( 164) = ( 0.0000000 0.0000000 0.0894810), wk = 0.0028329 k( 165) = ( 0.0000000 0.0000000 0.0994233), wk = 0.0028329 k( 166) = ( 0.0000000 0.0000000 0.1093656), wk = 0.0028329 k( 167) = ( 0.0000000 0.0000000 0.1193079), wk = 0.0028329 k( 168) = ( 0.0000000 0.0000000 0.1292503), wk = 0.0028329 k( 169) = ( 0.0000000 0.0000000 0.1391926), wk = 0.0028329 k( 170) = ( 0.0000000 0.0000000 0.1391926), wk = 0.0028329 k( 171) = ( 0.0090909 0.0052486 0.1391926), wk = 0.0028329 k( 172) = ( 0.0181818 0.0104973 0.1391926), wk = 0.0028329 k( 173) = ( 0.0272727 0.0157459 0.1391926), wk = 0.0028329 k( 174) = ( 0.0363636 0.0209946 0.1391926), wk = 0.0028329 k( 175) = ( 0.0454546 0.0262432 0.1391926), wk = 0.0028329 k( 176) = ( 0.0545455 0.0314918 0.1391926), wk = 0.0028329 k( 177) = ( 0.0636364 0.0367405 0.1391926), wk = 0.0028329 k( 178) = ( 0.0727273 0.0419891 0.1391926), wk = 0.0028329 k( 179) = ( 0.0818182 0.0472377 0.1391926), wk = 0.0028329 k( 180) = ( 0.0909091 0.0524864 0.1391926), wk = 0.0028329 k( 181) = ( 0.1000000 0.0577350 0.1391926), wk = 0.0028329 k( 182) = ( 0.1090909 0.0629837 0.1391926), wk = 0.0028329 k( 183) = ( 0.1181818 0.0682323 0.1391926), wk = 0.0028329 k( 184) = ( 0.1272727 0.0734809 0.1391926), wk = 0.0028329 k( 185) = ( 0.1363636 0.0787296 0.1391926), wk = 0.0028329 k( 186) = ( 0.1454545 0.0839782 0.1391926), wk = 0.0028329 k( 187) = ( 0.1545455 0.0892269 0.1391926), wk = 0.0028329 k( 188) = ( 0.1636364 0.0944755 0.1391926), wk = 0.0028329 k( 189) = ( 0.1727273 0.0997241 0.1391926), wk = 0.0028329 k( 190) = ( 0.1818182 0.1049728 0.1391926), wk = 0.0028329 k( 191) = ( 0.1909091 0.1102214 0.1391926), wk = 0.0028329 k( 192) = ( 0.2000000 0.1154701 0.1391926), wk = 0.0028329 k( 193) = ( 0.2090909 0.1207187 0.1391926), wk = 0.0028329 k( 194) = ( 0.2181818 0.1259673 0.1391926), wk = 0.0028329 k( 195) = ( 0.2272727 0.1312160 0.1391926), wk = 0.0028329 k( 196) = ( 0.2363636 0.1364646 0.1391926), wk = 0.0028329 k( 197) = ( 0.2454545 0.1417133 0.1391926), wk = 0.0028329 k( 198) = ( 0.2545455 0.1469619 0.1391926), wk = 0.0028329 k( 199) = ( 0.2636364 0.1522105 0.1391926), wk = 0.0028329 k( 200) = ( 0.2727273 0.1574592 0.1391926), wk = 0.0028329 k( 201) = ( 0.2818182 0.1627078 0.1391926), wk = 0.0028329 k( 202) = ( 0.2909091 0.1679564 0.1391926), wk = 0.0028329 k( 203) = ( 0.3000000 0.1732051 0.1391926), wk = 0.0028329 k( 204) = ( 0.3090909 0.1784537 0.1391926), wk = 0.0028329 k( 205) = ( 0.3181818 0.1837024 0.1391926), wk = 0.0028329 k( 206) = ( 0.3272727 0.1889510 0.1391926), wk = 0.0028329 k( 207) = ( 0.3363636 0.1941996 0.1391926), wk = 0.0028329 k( 208) = ( 0.3454546 0.1994483 0.1391926), wk = 0.0028329 k( 209) = ( 0.3545454 0.2046969 0.1391926), wk = 0.0028329 k( 210) = ( 0.3636364 0.2099456 0.1391926), wk = 0.0028329 k( 211) = ( 0.3727273 0.2151942 0.1391926), wk = 0.0028329 k( 212) = ( 0.3818182 0.2204428 0.1391926), wk = 0.0028329 k( 213) = ( 0.3909091 0.2256915 0.1391926), wk = 0.0028329 k( 214) = ( 0.4000000 0.2309401 0.1391926), wk = 0.0028329 k( 215) = ( 0.4090909 0.2361887 0.1391926), wk = 0.0028329 k( 216) = ( 0.4181818 0.2414374 0.1391926), wk = 0.0028329 k( 217) = ( 0.4272727 0.2466860 0.1391926), wk = 0.0028329 k( 218) = ( 0.4363636 0.2519347 0.1391926), wk = 0.0028329 k( 219) = ( 0.4454546 0.2571833 0.1391926), wk = 0.0028329 k( 220) = ( 0.4545455 0.2624319 0.1391926), wk = 0.0028329 k( 221) = ( 0.4636364 0.2676806 0.1391926), wk = 0.0028329 k( 222) = ( 0.4727273 0.2729292 0.1391926), wk = 0.0028329 k( 223) = ( 0.4818182 0.2781779 0.1391926), wk = 0.0028329 k( 224) = ( 0.4909091 0.2834265 0.1391926), wk = 0.0028329 k( 225) = ( 0.5000000 0.2886751 0.1391926), wk = 0.0028329 k( 226) = ( 0.5000000 0.2886751 0.1391926), wk = 0.0028329 k( 227) = ( 0.4947917 0.2976962 0.1391926), wk = 0.0028329 k( 228) = ( 0.4895833 0.3067173 0.1391926), wk = 0.0028329 k( 229) = ( 0.4843750 0.3157384 0.1391926), wk = 0.0028329 k( 230) = ( 0.4791667 0.3247595 0.1391926), wk = 0.0028329 k( 231) = ( 0.4739583 0.3337806 0.1391926), wk = 0.0028329 k( 232) = ( 0.4687500 0.3428017 0.1391926), wk = 0.0028329 k( 233) = ( 0.4635417 0.3518228 0.1391926), wk = 0.0028329 k( 234) = ( 0.4583333 0.3608439 0.1391926), wk = 0.0028329 k( 235) = ( 0.4531250 0.3698650 0.1391926), wk = 0.0028329 k( 236) = ( 0.4479167 0.3788861 0.1391926), wk = 0.0028329 k( 237) = ( 0.4427083 0.3879072 0.1391926), wk = 0.0028329 k( 238) = ( 0.4375000 0.3969283 0.1391926), wk = 0.0028329 k( 239) = ( 0.4322917 0.4059494 0.1391926), wk = 0.0028329 k( 240) = ( 0.4270833 0.4149705 0.1391926), wk = 0.0028329 k( 241) = ( 0.4218750 0.4239916 0.1391926), wk = 0.0028329 k( 242) = ( 0.4166667 0.4330127 0.1391926), wk = 0.0028329 k( 243) = ( 0.4114583 0.4420338 0.1391926), wk = 0.0028329 k( 244) = ( 0.4062500 0.4510549 0.1391926), wk = 0.0028329 k( 245) = ( 0.4010417 0.4600760 0.1391926), wk = 0.0028329 k( 246) = ( 0.3958333 0.4690971 0.1391926), wk = 0.0028329 k( 247) = ( 0.3906250 0.4781182 0.1391926), wk = 0.0028329 k( 248) = ( 0.3854167 0.4871393 0.1391926), wk = 0.0028329 k( 249) = ( 0.3802083 0.4961604 0.1391926), wk = 0.0028329 k( 250) = ( 0.3750000 0.5051815 0.1391926), wk = 0.0028329 k( 251) = ( 0.3697917 0.5142026 0.1391926), wk = 0.0028329 k( 252) = ( 0.3645833 0.5232237 0.1391926), wk = 0.0028329 k( 253) = ( 0.3593750 0.5322448 0.1391926), wk = 0.0028329 k( 254) = ( 0.3541667 0.5412659 0.1391926), wk = 0.0028329 k( 255) = ( 0.3489583 0.5502870 0.1391926), wk = 0.0028329 k( 256) = ( 0.3437500 0.5593081 0.1391926), wk = 0.0028329 k( 257) = ( 0.3385417 0.5683292 0.1391926), wk = 0.0028329 k( 258) = ( 0.3333333 0.5773503 0.1391926), wk = 0.0028329 k( 259) = ( 0.3333333 0.5773503 0.1391926), wk = 0.0028329 k( 260) = ( 0.3281250 0.5683292 0.1391926), wk = 0.0028329 k( 261) = ( 0.3229167 0.5593081 0.1391926), wk = 0.0028329 k( 262) = ( 0.3177083 0.5502870 0.1391926), wk = 0.0028329 k( 263) = ( 0.3125000 0.5412659 0.1391926), wk = 0.0028329 k( 264) = ( 0.3072917 0.5322448 0.1391926), wk = 0.0028329 k( 265) = ( 0.3020833 0.5232237 0.1391926), wk = 0.0028329 k( 266) = ( 0.2968750 0.5142026 0.1391926), wk = 0.0028329 k( 267) = ( 0.2916667 0.5051815 0.1391926), wk = 0.0028329 k( 268) = ( 0.2864583 0.4961604 0.1391926), wk = 0.0028329 k( 269) = ( 0.2812500 0.4871393 0.1391926), wk = 0.0028329 k( 270) = ( 0.2760417 0.4781182 0.1391926), wk = 0.0028329 k( 271) = ( 0.2708333 0.4690971 0.1391926), wk = 0.0028329 k( 272) = ( 0.2656250 0.4600760 0.1391926), wk = 0.0028329 k( 273) = ( 0.2604167 0.4510549 0.1391926), wk = 0.0028329 k( 274) = ( 0.2552083 0.4420338 0.1391926), wk = 0.0028329 k( 275) = ( 0.2500000 0.4330127 0.1391926), wk = 0.0028329 k( 276) = ( 0.2447917 0.4239916 0.1391926), wk = 0.0028329 k( 277) = ( 0.2395833 0.4149705 0.1391926), wk = 0.0028329 k( 278) = ( 0.2343750 0.4059494 0.1391926), wk = 0.0028329 k( 279) = ( 0.2291667 0.3969283 0.1391926), wk = 0.0028329 k( 280) = ( 0.2239583 0.3879072 0.1391926), wk = 0.0028329 k( 281) = ( 0.2187500 0.3788861 0.1391926), wk = 0.0028329 k( 282) = ( 0.2135417 0.3698650 0.1391926), wk = 0.0028329 k( 283) = ( 0.2083333 0.3608439 0.1391926), wk = 0.0028329 k( 284) = ( 0.2031250 0.3518228 0.1391926), wk = 0.0028329 k( 285) = ( 0.1979167 0.3428017 0.1391926), wk = 0.0028329 k( 286) = ( 0.1927083 0.3337806 0.1391926), wk = 0.0028329 k( 287) = ( 0.1875000 0.3247595 0.1391926), wk = 0.0028329 k( 288) = ( 0.1822917 0.3157384 0.1391926), wk = 0.0028329 k( 289) = ( 0.1770833 0.3067173 0.1391926), wk = 0.0028329 k( 290) = ( 0.1718750 0.2976962 0.1391926), wk = 0.0028329 k( 291) = ( 0.1666667 0.2886751 0.1391926), wk = 0.0028329 k( 292) = ( 0.1614583 0.2796540 0.1391926), wk = 0.0028329 k( 293) = ( 0.1562500 0.2706329 0.1391926), wk = 0.0028329 k( 294) = ( 0.1510417 0.2616118 0.1391926), wk = 0.0028329 k( 295) = ( 0.1458333 0.2525907 0.1391926), wk = 0.0028329 k( 296) = ( 0.1406250 0.2435696 0.1391926), wk = 0.0028329 k( 297) = ( 0.1354167 0.2345486 0.1391926), wk = 0.0028329 k( 298) = ( 0.1302083 0.2255274 0.1391926), wk = 0.0028329 k( 299) = ( 0.1250000 0.2165064 0.1391926), wk = 0.0028329 k( 300) = ( 0.1197917 0.2074853 0.1391926), wk = 0.0028329 k( 301) = ( 0.1145833 0.1984641 0.1391926), wk = 0.0028329 k( 302) = ( 0.1093750 0.1894431 0.1391926), wk = 0.0028329 k( 303) = ( 0.1041667 0.1804220 0.1391926), wk = 0.0028329 k( 304) = ( 0.0989583 0.1714009 0.1391926), wk = 0.0028329 k( 305) = ( 0.0937500 0.1623798 0.1391926), wk = 0.0028329 k( 306) = ( 0.0885417 0.1533587 0.1391926), wk = 0.0028329 k( 307) = ( 0.0833333 0.1443376 0.1391926), wk = 0.0028329 k( 308) = ( 0.0781250 0.1353165 0.1391926), wk = 0.0028329 k( 309) = ( 0.0729167 0.1262954 0.1391926), wk = 0.0028329 k( 310) = ( 0.0677083 0.1172743 0.1391926), wk = 0.0028329 k( 311) = ( 0.0625000 0.1082532 0.1391926), wk = 0.0028329 k( 312) = ( 0.0572917 0.0992321 0.1391926), wk = 0.0028329 k( 313) = ( 0.0520833 0.0902110 0.1391926), wk = 0.0028329 k( 314) = ( 0.0468750 0.0811899 0.1391926), wk = 0.0028329 k( 315) = ( 0.0416667 0.0721688 0.1391926), wk = 0.0028329 k( 316) = ( 0.0364583 0.0631477 0.1391926), wk = 0.0028329 k( 317) = ( 0.0312500 0.0541266 0.1391926), wk = 0.0028329 k( 318) = ( 0.0260417 0.0451055 0.1391926), wk = 0.0028329 k( 319) = ( 0.0208333 0.0360844 0.1391926), wk = 0.0028329 k( 320) = ( 0.0156250 0.0270633 0.1391926), wk = 0.0028329 k( 321) = ( 0.0104167 0.0180422 0.1391926), wk = 0.0028329 k( 322) = ( 0.0052083 0.0090211 0.1391926), wk = 0.0028329 k( 323) = ( 0.0000000 0.0000000 0.1391926), wk = 0.0028329 k( 324) = ( 0.5000000 0.2886751 0.1391926), wk = 0.0028329 k( 325) = ( 0.5000000 0.2886751 0.1292503), wk = 0.0028329 k( 326) = ( 0.5000000 0.2886751 0.1193079), wk = 0.0028329 k( 327) = ( 0.5000000 0.2886751 0.1093656), wk = 0.0028329 k( 328) = ( 0.5000000 0.2886751 0.0994233), wk = 0.0028329 k( 329) = ( 0.5000000 0.2886751 0.0894810), wk = 0.0028329 k( 330) = ( 0.5000000 0.2886751 0.0795386), wk = 0.0028329 k( 331) = ( 0.5000000 0.2886751 0.0695963), wk = 0.0028329 k( 332) = ( 0.5000000 0.2886751 0.0596540), wk = 0.0028329 k( 333) = ( 0.5000000 0.2886751 0.0497116), wk = 0.0028329 k( 334) = ( 0.5000000 0.2886751 0.0397693), wk = 0.0028329 k( 335) = ( 0.5000000 0.2886751 0.0298270), wk = 0.0028329 k( 336) = ( 0.5000000 0.2886751 0.0198847), wk = 0.0028329 k( 337) = ( 0.5000000 0.2886751 0.0099423), wk = 0.0028329 k( 338) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 339) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 340) = ( 0.3333333 0.5773503 0.0099423), wk = 0.0028329 k( 341) = ( 0.3333333 0.5773503 0.0198847), wk = 0.0028329 k( 342) = ( 0.3333333 0.5773503 0.0298270), wk = 0.0028329 k( 343) = ( 0.3333333 0.5773503 0.0397693), wk = 0.0028329 k( 344) = ( 0.3333333 0.5773503 0.0497116), wk = 0.0028329 k( 345) = ( 0.3333333 0.5773503 0.0596540), wk = 0.0028329 k( 346) = ( 0.3333333 0.5773503 0.0695963), wk = 0.0028329 k( 347) = ( 0.3333333 0.5773503 0.0795386), wk = 0.0028329 k( 348) = ( 0.3333333 0.5773503 0.0894810), wk = 0.0028329 k( 349) = ( 0.3333333 0.5773503 0.0994233), wk = 0.0028329 k( 350) = ( 0.3333333 0.5773503 0.1093656), wk = 0.0028329 k( 351) = ( 0.3333333 0.5773503 0.1193079), wk = 0.0028329 k( 352) = ( 0.3333333 0.5773503 0.1292503), wk = 0.0028329 k( 353) = ( 0.3333333 0.5773503 0.1391926), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0090909 -0.0000000 0.0000000), wk = 0.0028329 k( 3) = ( 0.0181818 -0.0000000 0.0000000), wk = 0.0028329 k( 4) = ( 0.0272727 -0.0000000 0.0000000), wk = 0.0028329 k( 5) = ( 0.0363636 -0.0000000 0.0000000), wk = 0.0028329 k( 6) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0028329 k( 7) = ( 0.0545455 -0.0000000 0.0000000), wk = 0.0028329 k( 8) = ( 0.0636364 -0.0000000 0.0000000), wk = 0.0028329 k( 9) = ( 0.0727273 -0.0000000 0.0000000), wk = 0.0028329 k( 10) = ( 0.0818182 -0.0000000 -0.0000000), wk = 0.0028329 k( 11) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0028329 k( 12) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0028329 k( 13) = ( 0.1090909 -0.0000000 0.0000000), wk = 0.0028329 k( 14) = ( 0.1181818 -0.0000000 0.0000000), wk = 0.0028329 k( 15) = ( 0.1272727 -0.0000000 0.0000000), wk = 0.0028329 k( 16) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0028329 k( 17) = ( 0.1454545 -0.0000000 0.0000000), wk = 0.0028329 k( 18) = ( 0.1545455 -0.0000000 0.0000000), wk = 0.0028329 k( 19) = ( 0.1636364 -0.0000000 -0.0000000), wk = 0.0028329 k( 20) = ( 0.1727273 -0.0000000 0.0000000), wk = 0.0028329 k( 21) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0028329 k( 22) = ( 0.1909091 -0.0000000 0.0000000), wk = 0.0028329 k( 23) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0028329 k( 24) = ( 0.2090909 -0.0000000 0.0000000), wk = 0.0028329 k( 25) = ( 0.2181818 -0.0000000 0.0000000), wk = 0.0028329 k( 26) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0028329 k( 27) = ( 0.2363636 -0.0000000 0.0000000), wk = 0.0028329 k( 28) = ( 0.2454545 -0.0000000 0.0000000), wk = 0.0028329 k( 29) = ( 0.2545455 -0.0000000 0.0000000), wk = 0.0028329 k( 30) = ( 0.2636364 -0.0000000 0.0000000), wk = 0.0028329 k( 31) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0028329 k( 32) = ( 0.2818182 -0.0000000 0.0000000), wk = 0.0028329 k( 33) = ( 0.2909091 -0.0000000 0.0000000), wk = 0.0028329 k( 34) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0028329 k( 35) = ( 0.3090909 -0.0000000 0.0000000), wk = 0.0028329 k( 36) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0028329 k( 37) = ( 0.3272727 -0.0000000 0.0000000), wk = 0.0028329 k( 38) = ( 0.3363636 -0.0000000 0.0000000), wk = 0.0028329 k( 39) = ( 0.3454546 0.0000000 0.0000000), wk = 0.0028329 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0028329 k( 41) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0028329 k( 42) = ( 0.3727273 -0.0000000 0.0000000), wk = 0.0028329 k( 43) = ( 0.3818182 -0.0000000 0.0000000), wk = 0.0028329 k( 44) = ( 0.3909091 -0.0000000 0.0000000), wk = 0.0028329 k( 45) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0028329 k( 46) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0028329 k( 47) = ( 0.4181818 -0.0000000 0.0000000), wk = 0.0028329 k( 48) = ( 0.4272727 -0.0000000 0.0000000), wk = 0.0028329 k( 49) = ( 0.4363636 -0.0000000 0.0000000), wk = 0.0028329 k( 50) = ( 0.4454546 -0.0000000 0.0000000), wk = 0.0028329 k( 51) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0028329 k( 52) = ( 0.4636364 -0.0000000 0.0000000), wk = 0.0028329 k( 53) = ( 0.4727273 -0.0000000 0.0000000), wk = 0.0028329 k( 54) = ( 0.4818182 -0.0000000 0.0000000), wk = 0.0028329 k( 55) = ( 0.4909091 -0.0000000 0.0000000), wk = 0.0028329 k( 56) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028329 k( 57) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028329 k( 58) = ( 0.4947917 0.0104167 0.0000000), wk = 0.0028329 k( 59) = ( 0.4895833 0.0208333 0.0000000), wk = 0.0028329 k( 60) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0028329 k( 61) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0028329 k( 62) = ( 0.4739583 0.0520833 0.0000000), wk = 0.0028329 k( 63) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0028329 k( 64) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0028329 k( 65) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028329 k( 66) = ( 0.4531250 0.0937500 0.0000000), wk = 0.0028329 k( 67) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0028329 k( 68) = ( 0.4427083 0.1145833 0.0000000), wk = 0.0028329 k( 69) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0028329 k( 70) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0028329 k( 71) = ( 0.4270833 0.1458333 0.0000000), wk = 0.0028329 k( 72) = ( 0.4218750 0.1562500 0.0000000), wk = 0.0028329 k( 73) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028329 k( 74) = ( 0.4114583 0.1770833 -0.0000000), wk = 0.0028329 k( 75) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0028329 k( 76) = ( 0.4010417 0.1979167 0.0000000), wk = 0.0028329 k( 77) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0028329 k( 78) = ( 0.3906250 0.2187500 0.0000000), wk = 0.0028329 k( 79) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0028329 k( 80) = ( 0.3802083 0.2395833 0.0000000), wk = 0.0028329 k( 81) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0028329 k( 82) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0028329 k( 83) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0028329 k( 84) = ( 0.3593750 0.2812500 0.0000000), wk = 0.0028329 k( 85) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0028329 k( 86) = ( 0.3489583 0.3020833 0.0000000), wk = 0.0028329 k( 87) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0028329 k( 88) = ( 0.3385417 0.3229167 -0.0000000), wk = 0.0028329 k( 89) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 90) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 91) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0028329 k( 92) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0028329 k( 93) = ( 0.3177083 0.3177083 0.0000000), wk = 0.0028329 k( 94) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0028329 k( 95) = ( 0.3072917 0.3072917 0.0000000), wk = 0.0028329 k( 96) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0028329 k( 97) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0028329 k( 98) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0028329 k( 99) = ( 0.2864583 0.2864583 0.0000000), wk = 0.0028329 k( 100) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0028329 k( 101) = ( 0.2760417 0.2760417 0.0000000), wk = 0.0028329 k( 102) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0028329 k( 103) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0028329 k( 104) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0028329 k( 105) = ( 0.2552083 0.2552083 -0.0000000), wk = 0.0028329 k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028329 k( 107) = ( 0.2447917 0.2447917 0.0000000), wk = 0.0028329 k( 108) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0028329 k( 109) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0028329 k( 110) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0028329 k( 111) = ( 0.2239583 0.2239583 -0.0000000), wk = 0.0028329 k( 112) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0028329 k( 113) = ( 0.2135417 0.2135417 0.0000000), wk = 0.0028329 k( 114) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0028329 k( 115) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0028329 k( 116) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0028329 k( 117) = ( 0.1927083 0.1927083 0.0000000), wk = 0.0028329 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0028329 k( 119) = ( 0.1822917 0.1822917 0.0000000), wk = 0.0028329 k( 120) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0028329 k( 121) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0028329 k( 122) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028329 k( 123) = ( 0.1614583 0.1614583 0.0000000), wk = 0.0028329 k( 124) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0028329 k( 125) = ( 0.1510417 0.1510417 0.0000000), wk = 0.0028329 k( 126) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0028329 k( 127) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0028329 k( 128) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0028329 k( 129) = ( 0.1302083 0.1302083 0.0000000), wk = 0.0028329 k( 130) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028329 k( 131) = ( 0.1197917 0.1197917 0.0000000), wk = 0.0028329 k( 132) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0028329 k( 133) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0028329 k( 134) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0028329 k( 135) = ( 0.0989583 0.0989583 0.0000000), wk = 0.0028329 k( 136) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0028329 k( 137) = ( 0.0885417 0.0885417 0.0000000), wk = 0.0028329 k( 138) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0028329 k( 139) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0028329 k( 140) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0028329 k( 141) = ( 0.0677083 0.0677083 -0.0000000), wk = 0.0028329 k( 142) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0028329 k( 143) = ( 0.0572917 0.0572917 0.0000000), wk = 0.0028329 k( 144) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0028329 k( 145) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0028329 k( 146) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0028329 k( 147) = ( 0.0364583 0.0364583 -0.0000000), wk = 0.0028329 k( 148) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0028329 k( 149) = ( 0.0260417 0.0260417 0.0000000), wk = 0.0028329 k( 150) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0028329 k( 151) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0028329 k( 152) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0028329 k( 153) = ( 0.0052083 0.0052083 0.0000000), wk = 0.0028329 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 156) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0028329 k( 157) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0028329 k( 158) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0028329 k( 161) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0028329 k( 162) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028329 k( 163) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0028329 k( 164) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0028329 k( 165) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0028329 k( 166) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0028329 k( 167) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0028329 k( 168) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0028329 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 171) = ( 0.0090909 -0.0000000 0.5000000), wk = 0.0028329 k( 172) = ( 0.0181818 -0.0000000 0.5000000), wk = 0.0028329 k( 173) = ( 0.0272727 -0.0000000 0.5000000), wk = 0.0028329 k( 174) = ( 0.0363636 -0.0000000 0.5000000), wk = 0.0028329 k( 175) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0028329 k( 176) = ( 0.0545455 -0.0000000 0.5000000), wk = 0.0028329 k( 177) = ( 0.0636364 -0.0000000 0.5000000), wk = 0.0028329 k( 178) = ( 0.0727273 -0.0000000 0.5000000), wk = 0.0028329 k( 179) = ( 0.0818182 -0.0000000 0.5000000), wk = 0.0028329 k( 180) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0028329 k( 181) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0028329 k( 182) = ( 0.1090909 -0.0000000 0.5000000), wk = 0.0028329 k( 183) = ( 0.1181818 -0.0000000 0.5000000), wk = 0.0028329 k( 184) = ( 0.1272727 -0.0000000 0.5000000), wk = 0.0028329 k( 185) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0028329 k( 186) = ( 0.1454545 -0.0000000 0.5000000), wk = 0.0028329 k( 187) = ( 0.1545455 -0.0000000 0.5000000), wk = 0.0028329 k( 188) = ( 0.1636364 -0.0000000 0.5000000), wk = 0.0028329 k( 189) = ( 0.1727273 -0.0000000 0.5000000), wk = 0.0028329 k( 190) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0028329 k( 191) = ( 0.1909091 -0.0000000 0.5000000), wk = 0.0028329 k( 192) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0028329 k( 193) = ( 0.2090909 -0.0000000 0.5000000), wk = 0.0028329 k( 194) = ( 0.2181818 -0.0000000 0.5000000), wk = 0.0028329 k( 195) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0028329 k( 196) = ( 0.2363636 -0.0000000 0.5000000), wk = 0.0028329 k( 197) = ( 0.2454545 -0.0000000 0.5000000), wk = 0.0028329 k( 198) = ( 0.2545455 -0.0000000 0.5000000), wk = 0.0028329 k( 199) = ( 0.2636364 -0.0000000 0.5000000), wk = 0.0028329 k( 200) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0028329 k( 201) = ( 0.2818182 -0.0000000 0.5000000), wk = 0.0028329 k( 202) = ( 0.2909091 -0.0000000 0.5000000), wk = 0.0028329 k( 203) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0028329 k( 204) = ( 0.3090909 -0.0000000 0.5000000), wk = 0.0028329 k( 205) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0028329 k( 206) = ( 0.3272727 -0.0000000 0.5000000), wk = 0.0028329 k( 207) = ( 0.3363636 -0.0000000 0.5000000), wk = 0.0028329 k( 208) = ( 0.3454546 0.0000000 0.5000000), wk = 0.0028329 k( 209) = ( 0.3545454 0.0000000 0.5000000), wk = 0.0028329 k( 210) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0028329 k( 211) = ( 0.3727273 -0.0000000 0.5000000), wk = 0.0028329 k( 212) = ( 0.3818182 -0.0000000 0.5000000), wk = 0.0028329 k( 213) = ( 0.3909091 -0.0000000 0.5000000), wk = 0.0028329 k( 214) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0028329 k( 215) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0028329 k( 216) = ( 0.4181818 -0.0000000 0.5000000), wk = 0.0028329 k( 217) = ( 0.4272727 -0.0000000 0.5000000), wk = 0.0028329 k( 218) = ( 0.4363636 -0.0000000 0.5000000), wk = 0.0028329 k( 219) = ( 0.4454546 -0.0000000 0.5000000), wk = 0.0028329 k( 220) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0028329 k( 221) = ( 0.4636364 -0.0000000 0.5000000), wk = 0.0028329 k( 222) = ( 0.4727273 -0.0000000 0.5000000), wk = 0.0028329 k( 223) = ( 0.4818182 -0.0000000 0.5000000), wk = 0.0028329 k( 224) = ( 0.4909091 -0.0000000 0.5000000), wk = 0.0028329 k( 225) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028329 k( 226) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028329 k( 227) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0028329 k( 228) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0028329 k( 229) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0028329 k( 230) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0028329 k( 231) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0028329 k( 232) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0028329 k( 233) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0028329 k( 234) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028329 k( 235) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0028329 k( 236) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0028329 k( 237) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0028329 k( 238) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0028329 k( 239) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0028329 k( 240) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0028329 k( 241) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0028329 k( 242) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028329 k( 243) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0028329 k( 244) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0028329 k( 245) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0028329 k( 246) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0028329 k( 247) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0028329 k( 248) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0028329 k( 249) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0028329 k( 250) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028329 k( 251) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0028329 k( 252) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0028329 k( 253) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0028329 k( 254) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0028329 k( 255) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0028329 k( 256) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0028329 k( 257) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0028329 k( 258) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 k( 259) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 k( 260) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0028329 k( 261) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0028329 k( 262) = ( 0.3177083 0.3177083 0.5000000), wk = 0.0028329 k( 263) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0028329 k( 264) = ( 0.3072917 0.3072917 0.5000000), wk = 0.0028329 k( 265) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0028329 k( 266) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0028329 k( 267) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028329 k( 268) = ( 0.2864583 0.2864583 0.5000000), wk = 0.0028329 k( 269) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0028329 k( 270) = ( 0.2760417 0.2760417 0.5000000), wk = 0.0028329 k( 271) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0028329 k( 272) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0028329 k( 273) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0028329 k( 274) = ( 0.2552083 0.2552083 0.5000000), wk = 0.0028329 k( 275) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028329 k( 276) = ( 0.2447917 0.2447917 0.5000000), wk = 0.0028329 k( 277) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0028329 k( 278) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0028329 k( 279) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0028329 k( 280) = ( 0.2239583 0.2239583 0.5000000), wk = 0.0028329 k( 281) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0028329 k( 282) = ( 0.2135417 0.2135417 0.5000000), wk = 0.0028329 k( 283) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028329 k( 284) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0028329 k( 285) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0028329 k( 286) = ( 0.1927083 0.1927083 0.5000000), wk = 0.0028329 k( 287) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0028329 k( 288) = ( 0.1822917 0.1822917 0.5000000), wk = 0.0028329 k( 289) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0028329 k( 290) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0028329 k( 291) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028329 k( 292) = ( 0.1614583 0.1614583 0.5000000), wk = 0.0028329 k( 293) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0028329 k( 294) = ( 0.1510417 0.1510417 0.5000000), wk = 0.0028329 k( 295) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0028329 k( 296) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0028329 k( 297) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0028329 k( 298) = ( 0.1302083 0.1302083 0.5000000), wk = 0.0028329 k( 299) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028329 k( 300) = ( 0.1197917 0.1197917 0.5000000), wk = 0.0028329 k( 301) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0028329 k( 302) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0028329 k( 303) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0028329 k( 304) = ( 0.0989583 0.0989583 0.5000000), wk = 0.0028329 k( 305) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0028329 k( 306) = ( 0.0885417 0.0885417 0.5000000), wk = 0.0028329 k( 307) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028329 k( 308) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0028329 k( 309) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0028329 k( 310) = ( 0.0677083 0.0677083 0.5000000), wk = 0.0028329 k( 311) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0028329 k( 312) = ( 0.0572917 0.0572917 0.5000000), wk = 0.0028329 k( 313) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0028329 k( 314) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0028329 k( 315) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028329 k( 316) = ( 0.0364583 0.0364583 0.5000000), wk = 0.0028329 k( 317) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0028329 k( 318) = ( 0.0260417 0.0260417 0.5000000), wk = 0.0028329 k( 319) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0028329 k( 320) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0028329 k( 321) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0028329 k( 322) = ( 0.0052083 0.0052083 0.5000000), wk = 0.0028329 k( 323) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 324) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028329 k( 325) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0028329 k( 326) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0028329 k( 327) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0028329 k( 328) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0028329 k( 329) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0028329 k( 330) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0028329 k( 331) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0028329 k( 332) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0028329 k( 333) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0028329 k( 334) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0028329 k( 335) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0028329 k( 336) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0028329 k( 337) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0028329 k( 338) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028329 k( 339) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 340) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0028329 k( 341) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0028329 k( 342) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0028329 k( 343) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0028329 k( 344) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0028329 k( 345) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0028329 k( 346) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028329 k( 347) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0028329 k( 348) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0028329 k( 349) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0028329 k( 350) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0028329 k( 351) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0028329 k( 352) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0028329 k( 353) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 Dense grid: 56037 G-vectors FFT dimensions: ( 36, 36, 120) Smooth grid: 34221 G-vectors FFT dimensions: ( 27, 27, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 260, 60) NL pseudopotentials 0.40 Mb ( 130, 204) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1560) G-vector shells 0.01 Mb ( 680) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 260, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.37 Mb ( 204, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NbS2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.3 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.3 secs Computing kpt #: 21 total cpu time spent up to now is 13.8 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.9 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.4 secs Computing kpt #: 27 total cpu time spent up to now is 16.9 secs Computing kpt #: 28 total cpu time spent up to now is 17.5 secs Computing kpt #: 29 total cpu time spent up to now is 18.0 secs Computing kpt #: 30 total cpu time spent up to now is 18.6 secs Computing kpt #: 31 total cpu time spent up to now is 19.1 secs Computing kpt #: 32 total cpu time spent up to now is 19.7 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.9 secs Computing kpt #: 35 total cpu time spent up to now is 21.5 secs Computing kpt #: 36 total cpu time spent up to now is 22.2 secs Computing kpt #: 37 total cpu time spent up to now is 22.8 secs Computing kpt #: 38 total cpu time spent up to now is 23.5 secs Computing kpt #: 39 total cpu time spent up to now is 24.1 secs Computing kpt #: 40 total cpu time spent up to now is 24.7 secs Computing kpt #: 41 total cpu time spent up to now is 25.4 secs Computing kpt #: 42 total cpu time spent up to now is 26.0 secs Computing kpt #: 43 total cpu time spent up to now is 26.6 secs Computing kpt #: 44 total cpu time spent up to now is 27.1 secs Computing kpt #: 45 total cpu time spent up to now is 27.8 secs Computing kpt #: 46 total cpu time spent up to now is 28.3 secs Computing kpt #: 47 total cpu time spent up to now is 28.9 secs Computing kpt #: 48 total cpu time spent up to now is 29.4 secs Computing kpt #: 49 total cpu time spent up to now is 30.0 secs Computing kpt #: 50 total cpu time spent up to now is 30.5 secs Computing kpt #: 51 total cpu time spent up to now is 31.1 secs Computing kpt #: 52 total cpu time spent up to now is 31.6 secs Computing kpt #: 53 total cpu time spent up to now is 32.2 secs Computing kpt #: 54 total cpu time spent up to now is 32.7 secs Computing kpt #: 55 total cpu time spent up to now is 33.3 secs Computing kpt #: 56 total cpu time spent up to now is 33.8 secs Computing kpt #: 57 total cpu time spent up to now is 34.4 secs Computing kpt #: 58 total cpu time spent up to now is 34.9 secs Computing kpt #: 59 total cpu time spent up to now is 35.4 secs Computing kpt #: 60 total cpu time spent up to now is 36.0 secs Computing kpt #: 61 total cpu time spent up to now is 36.5 secs Computing kpt #: 62 total cpu time spent up to now is 37.0 secs Computing kpt #: 63 total cpu time spent up to now is 37.5 secs Computing kpt #: 64 total cpu time spent up to now is 38.1 secs Computing kpt #: 65 total cpu time spent up to now is 38.6 secs Computing kpt #: 66 total cpu time spent up to now is 39.1 secs Computing kpt #: 67 total cpu time spent up to now is 39.6 secs Computing kpt #: 68 total cpu time spent up to now is 40.1 secs Computing kpt #: 69 total cpu time spent up to now is 40.6 secs Computing kpt #: 70 total cpu time spent up to now is 41.1 secs Computing kpt #: 71 total cpu time spent up to now is 41.6 secs Computing kpt #: 72 total cpu time spent up to now is 42.1 secs Computing kpt #: 73 total cpu time spent up to now is 42.7 secs Computing kpt #: 74 total cpu time spent up to now is 43.2 secs Computing kpt #: 75 total cpu time spent up to now is 43.8 secs Computing kpt #: 76 total cpu time spent up to now is 44.4 secs Computing kpt #: 77 total cpu time spent up to now is 45.1 secs Computing kpt #: 78 total cpu time spent up to now is 45.7 secs Computing kpt #: 79 total cpu time spent up to now is 46.4 secs Computing kpt #: 80 total cpu time spent up to now is 47.1 secs Computing kpt #: 81 total cpu time spent up to now is 47.8 secs Computing kpt #: 82 total cpu time spent up to now is 48.5 secs Computing kpt #: 83 total cpu time spent up to now is 49.1 secs Computing kpt #: 84 total cpu time spent up to now is 49.8 secs Computing kpt #: 85 total cpu time spent up to now is 50.5 secs Computing kpt #: 86 total cpu time spent up to now is 51.2 secs Computing kpt #: 87 total cpu time spent up to now is 51.8 secs Computing kpt #: 88 total cpu time spent up to now is 52.5 secs Computing kpt #: 89 total cpu time spent up to now is 53.1 secs Computing kpt #: 90 total cpu time spent up to now is 53.7 secs Computing kpt #: 91 total cpu time spent up to now is 54.4 secs Computing kpt #: 92 total cpu time spent up to now is 55.1 secs Computing kpt #: 93 total cpu time spent up to now is 55.8 secs Computing kpt #: 94 total cpu time spent up to now is 56.4 secs Computing kpt #: 95 total cpu time spent up to now is 57.1 secs Computing kpt #: 96 total cpu time spent up to now is 57.7 secs Computing kpt #: 97 total cpu time spent up to now is 58.4 secs Computing kpt #: 98 total cpu time spent up to now is 59.0 secs Computing kpt #: 99 total cpu time spent up to now is 59.7 secs Computing kpt #: 100 total cpu time spent up to now is 60.3 secs Computing kpt #: 101 total cpu time spent up to now is 60.9 secs Computing kpt #: 102 total cpu time spent up to now is 61.6 secs Computing kpt #: 103 total cpu time spent up to now is 62.2 secs Computing kpt #: 104 total cpu time spent up to now is 62.8 secs Computing kpt #: 105 total cpu time spent up to now is 63.7 secs Computing kpt #: 106 total cpu time spent up to now is 64.3 secs Computing kpt #: 107 total cpu time spent up to now is 65.0 secs Computing kpt #: 108 total cpu time spent up to now is 65.6 secs Computing kpt #: 109 total cpu time spent up to now is 66.2 secs Computing kpt #: 110 total cpu time spent up to now is 66.8 secs Computing kpt #: 111 total cpu time spent up to now is 67.3 secs Computing kpt #: 112 total cpu time spent up to now is 67.9 secs Computing kpt #: 113 total cpu time spent up to now is 68.5 secs Computing kpt #: 114 total cpu time spent up to now is 69.1 secs Computing kpt #: 115 total cpu time spent up to now is 69.7 secs Computing kpt #: 116 total cpu time spent up to now is 70.4 secs Computing kpt #: 117 total cpu time spent up to now is 71.0 secs Computing kpt #: 118 total cpu time spent up to now is 71.6 secs Computing kpt #: 119 total cpu time spent up to now is 72.2 secs Computing kpt #: 120 total cpu time spent up to now is 72.8 secs Computing kpt #: 121 total cpu time spent up to now is 73.3 secs Computing kpt #: 122 total cpu time spent up to now is 73.8 secs Computing kpt #: 123 total cpu time spent up to now is 74.3 secs Computing kpt #: 124 total cpu time spent up to now is 74.8 secs Computing kpt #: 125 total cpu time spent up to now is 75.4 secs Computing kpt #: 126 total cpu time spent up to now is 75.9 secs Computing kpt #: 127 total cpu time spent up to now is 76.4 secs Computing kpt #: 128 total cpu time spent up to now is 76.9 secs Computing kpt #: 129 total cpu time spent up to now is 77.4 secs Computing kpt #: 130 total cpu time spent up to now is 77.9 secs Computing kpt #: 131 total cpu time spent up to now is 78.4 secs Computing kpt #: 132 total cpu time spent up to now is 78.9 secs Computing kpt #: 133 total cpu time spent up to now is 79.4 secs Computing kpt #: 134 total cpu time spent up to now is 80.0 secs Computing kpt #: 135 total cpu time spent up to now is 80.5 secs Computing kpt #: 136 total cpu time spent up to now is 81.2 secs Computing kpt #: 137 total cpu time spent up to now is 81.8 secs Computing kpt #: 138 total cpu time spent up to now is 82.4 secs Computing kpt #: 139 total cpu time spent up to now is 83.0 secs Computing kpt #: 140 total cpu time spent up to now is 83.5 secs Computing kpt #: 141 total cpu time spent up to now is 84.1 secs Computing kpt #: 142 total cpu time spent up to now is 84.7 secs Computing kpt #: 143 total cpu time spent up to now is 85.3 secs Computing kpt #: 144 total cpu time spent up to now is 85.8 secs Computing kpt #: 145 total cpu time spent up to now is 86.4 secs Computing kpt #: 146 total cpu time spent up to now is 86.9 secs Computing kpt #: 147 total cpu time spent up to now is 87.5 secs Computing kpt #: 148 total cpu time spent up to now is 88.1 secs Computing kpt #: 149 total cpu time spent up to now is 88.7 secs Computing kpt #: 150 total cpu time spent up to now is 89.3 secs Computing kpt #: 151 total cpu time spent up to now is 89.9 secs Computing kpt #: 152 total cpu time spent up to now is 90.4 secs Computing kpt #: 153 total cpu time spent up to now is 91.0 secs Computing kpt #: 154 total cpu time spent up to now is 91.6 secs Computing kpt #: 155 total cpu time spent up to now is 92.1 secs Computing kpt #: 156 total cpu time spent up to now is 92.7 secs Computing kpt #: 157 total cpu time spent up to now is 93.3 secs Computing kpt #: 158 total cpu time spent up to now is 93.8 secs Computing kpt #: 159 total cpu time spent up to now is 94.4 secs Computing kpt #: 160 total cpu time spent up to now is 94.9 secs Computing kpt #: 161 total cpu time spent up to now is 95.5 secs Computing kpt #: 162 total cpu time spent up to now is 96.0 secs Computing kpt #: 163 total cpu time spent up to now is 96.5 secs Computing kpt #: 164 total cpu time spent up to now is 97.1 secs Computing kpt #: 165 total cpu time spent up to now is 97.6 secs Computing kpt #: 166 total cpu time spent up to now is 98.1 secs Computing kpt #: 167 total cpu time spent up to now is 98.8 secs Computing kpt #: 168 total cpu time spent up to now is 99.3 secs Computing kpt #: 169 total cpu time spent up to now is 99.8 secs Computing kpt #: 170 total cpu time spent up to now is 100.4 secs Computing kpt #: 171 total cpu time spent up to now is 100.9 secs Computing kpt #: 172 total cpu time spent up to now is 101.4 secs Computing kpt #: 173 total cpu time spent up to now is 102.0 secs Computing kpt #: 174 total cpu time spent up to now is 102.5 secs Computing kpt #: 175 total cpu time spent up to now is 103.0 secs Computing kpt #: 176 total cpu time spent up to now is 103.7 secs Computing kpt #: 177 total cpu time spent up to now is 104.3 secs Computing kpt #: 178 total cpu time spent up to now is 105.1 secs Computing kpt #: 179 total cpu time spent up to now is 105.6 secs Computing kpt #: 180 total cpu time spent up to now is 106.1 secs Computing kpt #: 181 total cpu time spent up to now is 106.7 secs Computing kpt #: 182 total cpu time spent up to now is 107.2 secs Computing kpt #: 183 total cpu time spent up to now is 107.8 secs Computing kpt #: 184 total cpu time spent up to now is 108.3 secs Computing kpt #: 185 total cpu time spent up to now is 108.9 secs Computing kpt #: 186 total cpu time spent up to now is 109.4 secs Computing kpt #: 187 total cpu time spent up to now is 109.9 secs Computing kpt #: 188 total cpu time spent up to now is 110.4 secs Computing kpt #: 189 total cpu time spent up to now is 111.0 secs Computing kpt #: 190 total cpu time spent up to now is 111.5 secs Computing kpt #: 191 total cpu time spent up to now is 112.0 secs Computing kpt #: 192 total cpu time spent up to now is 112.5 secs Computing kpt #: 193 total cpu time spent up to now is 113.0 secs Computing kpt #: 194 total cpu time spent up to now is 113.5 secs Computing kpt #: 195 total cpu time spent up to now is 114.0 secs Computing kpt #: 196 total cpu time spent up to now is 114.6 secs Computing kpt #: 197 total cpu time spent up to now is 115.1 secs Computing kpt #: 198 total cpu time spent up to now is 115.6 secs Computing kpt #: 199 total cpu time spent up to now is 116.1 secs Computing kpt #: 200 total cpu time spent up to now is 116.6 secs Computing kpt #: 201 total cpu time spent up to now is 117.1 secs Computing kpt #: 202 total cpu time spent up to now is 117.6 secs Computing kpt #: 203 total cpu time spent up to now is 118.1 secs Computing kpt #: 204 total cpu time spent up to now is 118.6 secs Computing kpt #: 205 total cpu time spent up to now is 119.1 secs Computing kpt #: 206 total cpu time spent up to now is 119.6 secs Computing kpt #: 207 total cpu time spent up to now is 120.1 secs Computing kpt #: 208 total cpu time spent up to now is 120.7 secs Computing kpt #: 209 total cpu time spent up to now is 121.2 secs Computing kpt #: 210 total cpu time spent up to now is 121.7 secs Computing kpt #: 211 total cpu time spent up to now is 122.2 secs Computing kpt #: 212 total cpu time spent up to now is 122.7 secs Computing kpt #: 213 total cpu time spent up to now is 123.2 secs Computing kpt #: 214 total cpu time spent up to now is 123.7 secs Computing kpt #: 215 total cpu time spent up to now is 124.3 secs Computing kpt #: 216 total cpu time spent up to now is 124.8 secs Computing kpt #: 217 total cpu time spent up to now is 125.3 secs Computing kpt #: 218 total cpu time spent up to now is 125.9 secs Computing kpt #: 219 total cpu time spent up to now is 126.4 secs Computing kpt #: 220 total cpu time spent up to now is 126.9 secs Computing kpt #: 221 total cpu time spent up to now is 127.5 secs Computing kpt #: 222 total cpu time spent up to now is 128.0 secs Computing kpt #: 223 total cpu time spent up to now is 128.5 secs Computing kpt #: 224 total cpu time spent up to now is 129.1 secs Computing kpt #: 225 total cpu time spent up to now is 129.6 secs Computing kpt #: 226 total cpu time spent up to now is 130.2 secs Computing kpt #: 227 total cpu time spent up to now is 130.7 secs Computing kpt #: 228 total cpu time spent up to now is 131.2 secs Computing kpt #: 229 total cpu time spent up to now is 131.8 secs Computing kpt #: 230 total cpu time spent up to now is 132.3 secs Computing kpt #: 231 total cpu time spent up to now is 132.8 secs Computing kpt #: 232 total cpu time spent up to now is 133.8 secs Computing kpt #: 233 total cpu time spent up to now is 134.3 secs Computing kpt #: 234 total cpu time spent up to now is 134.8 secs Computing kpt #: 235 total cpu time spent up to now is 135.3 secs Computing kpt #: 236 total cpu time spent up to now is 135.9 secs Computing kpt #: 237 total cpu time spent up to now is 136.4 secs Computing kpt #: 238 total cpu time spent up to now is 136.9 secs Computing kpt #: 239 total cpu time spent up to now is 137.4 secs Computing kpt #: 240 total cpu time spent up to now is 137.9 secs Computing kpt #: 241 total cpu time spent up to now is 138.4 secs Computing kpt #: 242 total cpu time spent up to now is 139.0 secs Computing kpt #: 243 total cpu time spent up to now is 139.5 secs Computing kpt #: 244 total cpu time spent up to now is 140.0 secs Computing kpt #: 245 total cpu time spent up to now is 140.6 secs Computing kpt #: 246 total cpu time spent up to now is 141.1 secs Computing kpt #: 247 total cpu time spent up to now is 141.7 secs Computing kpt #: 248 total cpu time spent up to now is 142.2 secs Computing kpt #: 249 total cpu time spent up to now is 142.8 secs Computing kpt #: 250 total cpu time spent up to now is 143.3 secs Computing kpt #: 251 total cpu time spent up to now is 143.9 secs Computing kpt #: 252 total cpu time spent up to now is 144.4 secs Computing kpt #: 253 total cpu time spent up to now is 145.0 secs Computing kpt #: 254 total cpu time spent up to now is 145.5 secs Computing kpt #: 255 total cpu time spent up to now is 146.0 secs Computing kpt #: 256 total cpu time spent up to now is 146.6 secs Computing kpt #: 257 total cpu time spent up to now is 147.2 secs Computing kpt #: 258 total cpu time spent up to now is 147.8 secs Computing kpt #: 259 total cpu time spent up to now is 148.4 secs Computing kpt #: 260 total cpu time spent up to now is 148.9 secs Computing kpt #: 261 total cpu time spent up to now is 149.5 secs Computing kpt #: 262 total cpu time spent up to now is 150.1 secs Computing kpt #: 263 total cpu time spent up to now is 150.6 secs Computing kpt #: 264 total cpu time spent up to now is 151.2 secs Computing kpt #: 265 total cpu time spent up to now is 151.7 secs Computing kpt #: 266 total cpu time spent up to now is 152.3 secs Computing kpt #: 267 total cpu time spent up to now is 152.8 secs Computing kpt #: 268 total cpu time spent up to now is 153.3 secs Computing kpt #: 269 total cpu time spent up to now is 153.9 secs Computing kpt #: 270 total cpu time spent up to now is 154.4 secs Computing kpt #: 271 total cpu time spent up to now is 155.0 secs Computing kpt #: 272 total cpu time spent up to now is 155.5 secs Computing kpt #: 273 total cpu time spent up to now is 156.0 secs Computing kpt #: 274 total cpu time spent up to now is 156.6 secs Computing kpt #: 275 total cpu time spent up to now is 157.1 secs Computing kpt #: 276 total cpu time spent up to now is 157.7 secs Computing kpt #: 277 total cpu time spent up to now is 158.2 secs Computing kpt #: 278 total cpu time spent up to now is 158.7 secs Computing kpt #: 279 total cpu time spent up to now is 159.2 secs Computing kpt #: 280 total cpu time spent up to now is 159.7 secs Computing kpt #: 281 total cpu time spent up to now is 160.2 secs Computing kpt #: 282 total cpu time spent up to now is 160.7 secs Computing kpt #: 283 total cpu time spent up to now is 161.2 secs Computing kpt #: 284 total cpu time spent up to now is 161.7 secs Computing kpt #: 285 total cpu time spent up to now is 162.2 secs Computing kpt #: 286 total cpu time spent up to now is 162.7 secs Computing kpt #: 287 total cpu time spent up to now is 163.2 secs Computing kpt #: 288 total cpu time spent up to now is 163.8 secs Computing kpt #: 289 total cpu time spent up to now is 164.3 secs Computing kpt #: 290 total cpu time spent up to now is 164.8 secs Computing kpt #: 291 total cpu time spent up to now is 165.3 secs Computing kpt #: 292 total cpu time spent up to now is 165.8 secs Computing kpt #: 293 total cpu time spent up to now is 166.3 secs Computing kpt #: 294 total cpu time spent up to now is 166.8 secs Computing kpt #: 295 total cpu time spent up to now is 167.4 secs Computing kpt #: 296 total cpu time spent up to now is 167.9 secs Computing kpt #: 297 total cpu time spent up to now is 168.8 secs Computing kpt #: 298 total cpu time spent up to now is 169.3 secs Computing kpt #: 299 total cpu time spent up to now is 169.8 secs Computing kpt #: 300 total cpu time spent up to now is 170.4 secs Computing kpt #: 301 total cpu time spent up to now is 170.9 secs Computing kpt #: 302 total cpu time spent up to now is 171.4 secs Computing kpt #: 303 total cpu time spent up to now is 171.9 secs Computing kpt #: 304 total cpu time spent up to now is 172.5 secs Computing kpt #: 305 total cpu time spent up to now is 173.0 secs Computing kpt #: 306 total cpu time spent up to now is 173.5 secs Computing kpt #: 307 total cpu time spent up to now is 174.1 secs Computing kpt #: 308 total cpu time spent up to now is 174.6 secs Computing kpt #: 309 total cpu time spent up to now is 175.1 secs Computing kpt #: 310 total cpu time spent up to now is 175.7 secs Computing kpt #: 311 total cpu time spent up to now is 176.2 secs Computing kpt #: 312 total cpu time spent up to now is 176.8 secs Computing kpt #: 313 total cpu time spent up to now is 177.4 secs Computing kpt #: 314 total cpu time spent up to now is 177.9 secs Computing kpt #: 315 total cpu time spent up to now is 178.5 secs Computing kpt #: 316 total cpu time spent up to now is 179.0 secs Computing kpt #: 317 total cpu time spent up to now is 179.5 secs Computing kpt #: 318 total cpu time spent up to now is 180.1 secs Computing kpt #: 319 total cpu time spent up to now is 180.6 secs Computing kpt #: 320 total cpu time spent up to now is 181.2 secs Computing kpt #: 321 total cpu time spent up to now is 181.7 secs Computing kpt #: 322 total cpu time spent up to now is 182.2 secs Computing kpt #: 323 total cpu time spent up to now is 182.8 secs Computing kpt #: 324 total cpu time spent up to now is 183.3 secs Computing kpt #: 325 total cpu time spent up to now is 183.8 secs Computing kpt #: 326 total cpu time spent up to now is 184.4 secs Computing kpt #: 327 total cpu time spent up to now is 184.9 secs Computing kpt #: 328 total cpu time spent up to now is 185.4 secs Computing kpt #: 329 total cpu time spent up to now is 186.0 secs Computing kpt #: 330 total cpu time spent up to now is 186.5 secs Computing kpt #: 331 total cpu time spent up to now is 187.0 secs Computing kpt #: 332 total cpu time spent up to now is 187.6 secs Computing kpt #: 333 total cpu time spent up to now is 188.1 secs Computing kpt #: 334 total cpu time spent up to now is 188.6 secs Computing kpt #: 335 total cpu time spent up to now is 189.1 secs Computing kpt #: 336 total cpu time spent up to now is 189.6 secs Computing kpt #: 337 total cpu time spent up to now is 190.2 secs Computing kpt #: 338 total cpu time spent up to now is 190.7 secs Computing kpt #: 339 total cpu time spent up to now is 191.3 secs Computing kpt #: 340 total cpu time spent up to now is 192.0 secs Computing kpt #: 341 total cpu time spent up to now is 192.6 secs Computing kpt #: 342 total cpu time spent up to now is 193.2 secs Computing kpt #: 343 total cpu time spent up to now is 193.8 secs Computing kpt #: 344 total cpu time spent up to now is 194.4 secs Computing kpt #: 345 total cpu time spent up to now is 195.0 secs Computing kpt #: 346 total cpu time spent up to now is 195.6 secs Computing kpt #: 347 total cpu time spent up to now is 196.2 secs Computing kpt #: 348 total cpu time spent up to now is 196.8 secs Computing kpt #: 349 total cpu time spent up to now is 197.4 secs Computing kpt #: 350 total cpu time spent up to now is 197.9 secs Computing kpt #: 351 total cpu time spent up to now is 198.5 secs Computing kpt #: 352 total cpu time spent up to now is 199.1 secs Computing kpt #: 353 total cpu time spent up to now is 199.7 secs ethr = 2.00E-08, avg # of iterations = 19.3 total cpu time spent up to now is 199.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4201 PWs) bands (ev): -45.0262 -45.0262 -45.0262 -45.0262 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5134 -20.5134 -20.3520 -20.3520 -20.3520 -20.3520 -4.3245 -4.3245 -4.0441 -4.0441 -2.8655 -2.8655 -2.3671 -2.3671 3.7594 3.7594 4.9200 4.9200 6.9271 6.9271 6.9412 6.9412 6.9599 6.9599 6.9780 6.9780 7.4566 7.4566 8.0891 8.0891 8.1152 8.1152 8.1587 8.1587 8.1845 8.1845 9.8073 9.8073 10.4553 10.4553 11.5457 11.5457 12.6163 12.6163 12.6838 12.6838 12.8159 12.8159 12.8850 12.8850 k = 0.0091 0.0052-0.0000 ( 4213 PWs) bands (ev): -45.0264 -45.0264 -45.0262 -45.0262 -22.5417 -22.5417 -22.5416 -22.5416 -20.5137 -20.5137 -20.5135 -20.5135 -20.3522 -20.3522 -20.3522 -20.3522 -4.3233 -4.3233 -4.0430 -4.0430 -2.8651 -2.8651 -2.3669 -2.3669 3.7607 3.7607 4.9212 4.9212 6.9259 6.9259 6.9406 6.9406 6.9588 6.9588 6.9774 6.9774 7.4514 7.4514 8.0864 8.0864 8.1159 8.1159 8.1563 8.1563 8.1854 8.1854 9.8077 9.8077 10.4548 10.4548 11.5412 11.5412 12.6177 12.6177 12.6850 12.6850 12.8166 12.8166 12.8856 12.8856 k = 0.0182 0.0105-0.0000 ( 4221 PWs) bands (ev): -45.0264 -45.0264 -45.0261 -45.0261 -22.5420 -22.5420 -22.5419 -22.5419 -20.5139 -20.5139 -20.5136 -20.5136 -20.3530 -20.3530 -20.3529 -20.3529 -4.3199 -4.3199 -4.0397 -4.0397 -2.8641 -2.8641 -2.3665 -2.3665 3.7645 3.7645 4.9248 4.9248 6.9199 6.9199 6.9413 6.9413 6.9538 6.9538 6.9779 6.9779 7.4359 7.4359 8.0785 8.0785 8.1164 8.1164 8.1492 8.1492 8.1894 8.1894 9.8087 9.8087 10.4533 10.4533 11.5278 11.5278 12.6215 12.6215 12.6890 12.6890 12.8180 12.8180 12.8881 12.8881 k = 0.0273 0.0157-0.0000 ( 4226 PWs) bands (ev): -45.0262 -45.0262 -45.0260 -45.0260 -22.5424 -22.5424 -22.5424 -22.5424 -20.5140 -20.5140 -20.5138 -20.5138 -20.3542 -20.3542 -20.3542 -20.3542 -4.3142 -4.3142 -4.0341 -4.0341 -2.8624 -2.8624 -2.3658 -2.3658 3.7709 3.7709 4.9308 4.9308 6.9069 6.9069 6.9421 6.9421 6.9456 6.9456 6.9820 6.9820 7.4113 7.4113 8.0651 8.0651 8.1126 8.1126 8.1385 8.1385 8.1988 8.1988 9.8103 9.8103 10.4507 10.4507 11.5059 11.5059 12.6270 12.6270 12.6966 12.6966 12.8184 12.8184 12.8943 12.8943 k = 0.0364 0.0210-0.0000 ( 4228 PWs) bands (ev): -45.0260 -45.0260 -45.0258 -45.0258 -22.5431 -22.5431 -22.5430 -22.5430 -20.5143 -20.5143 -20.5140 -20.5140 -20.3559 -20.3559 -20.3558 -20.3558 -4.3063 -4.3063 -4.0263 -4.0263 -2.8600 -2.8600 -2.3648 -2.3648 3.7797 3.7797 4.9392 4.9392 6.8878 6.8878 6.9244 6.9244 6.9528 6.9528 6.9895 6.9895 7.3790 7.3790 8.0464 8.0464 8.1015 8.1015 8.1250 8.1250 8.2147 8.2147 9.8120 9.8120 10.4470 10.4470 11.4758 11.4758 12.6331 12.6331 12.7087 12.7087 12.8164 12.8164 12.9061 12.9061 k = 0.0455 0.0262-0.0000 ( 4228 PWs) bands (ev): -45.0257 -45.0257 -45.0255 -45.0255 -22.5439 -22.5439 -22.5438 -22.5438 -20.5146 -20.5146 -20.5144 -20.5144 -20.3580 -20.3580 -20.3580 -20.3580 -4.2961 -4.2961 -4.0164 -4.0164 -2.8570 -2.8570 -2.3635 -2.3635 3.7911 3.7911 4.9499 4.9499 6.8631 6.8631 6.9012 6.9012 6.9624 6.9624 6.9998 6.9998 7.3404 7.3404 8.0223 8.0223 8.0832 8.0832 8.1093 8.1093 8.2357 8.2357 9.8135 9.8135 10.4420 10.4420 11.4380 11.4380 12.6391 12.6391 12.7261 12.7261 12.8116 12.8116 12.9242 12.9242 k = 0.0545 0.0315-0.0000 ( 4232 PWs) bands (ev): -45.0253 -45.0253 -45.0252 -45.0252 -22.5449 -22.5449 -22.5448 -22.5448 -20.5151 -20.5151 -20.5148 -20.5148 -20.3606 -20.3606 -20.3606 -20.3606 -4.2837 -4.2837 -4.0042 -4.0042 -2.8533 -2.8533 -2.3619 -2.3619 3.8048 3.8048 4.9628 4.9628 6.8333 6.8333 6.8731 6.8731 6.9743 6.9743 7.0126 7.0126 7.2969 7.2969 7.9927 7.9927 8.0598 8.0598 8.0906 8.0906 8.2596 8.2596 9.8145 9.8145 10.4356 10.4356 11.3933 11.3933 12.6448 12.6448 12.7482 12.7482 12.8056 12.8056 12.9477 12.9477 k = 0.0636 0.0367-0.0000 ( 4232 PWs) bands (ev): -45.0249 -45.0249 -45.0248 -45.0248 -22.5461 -22.5461 -22.5460 -22.5460 -20.5156 -20.5156 -20.5153 -20.5153 -20.3636 -20.3636 -20.3636 -20.3636 -4.2691 -4.2691 -3.9900 -3.9900 -2.8489 -2.8489 -2.3601 -2.3601 3.8209 3.8209 4.9779 4.9779 6.7988 6.7988 6.8405 6.8405 6.9882 6.9882 7.0279 7.0279 7.2496 7.2496 7.9578 7.9578 8.0325 8.0325 8.0689 8.0689 8.2846 8.2846 9.8143 9.8143 10.4276 10.4276 11.3423 11.3423 12.6504 12.6504 12.7708 12.7708 12.8035 12.8035 12.9740 12.9740 k = 0.0727 0.0420-0.0000 ( 4240 PWs) bands (ev): -45.0245 -45.0245 -45.0244 -45.0244 -22.5475 -22.5475 -22.5474 -22.5474 -20.5162 -20.5162 -20.5160 -20.5160 -20.3670 -20.3670 -20.3670 -20.3670 -4.2524 -4.2524 -3.9736 -3.9736 -2.8439 -2.8439 -2.3580 -2.3580 3.8392 3.8392 4.9950 4.9950 6.7599 6.7599 6.8038 6.8038 7.0040 7.0040 7.0454 7.0454 7.1995 7.1995 7.9181 7.9181 8.0022 8.0022 8.0442 8.0442 8.3095 8.3095 9.8127 9.8127 10.4177 10.4177 11.2856 11.2856 12.6559 12.6559 12.7787 12.7787 12.8215 12.8215 12.9816 12.9816 k = 0.0818 0.0472-0.0000 ( 4236 PWs) bands (ev): -45.0238 -45.0238 -45.0238 -45.0238 -22.5490 -22.5490 -22.5489 -22.5489 -20.5169 -20.5169 -20.5167 -20.5167 -20.3708 -20.3708 -20.3708 -20.3708 -4.2335 -4.2335 -3.9552 -3.9552 -2.8382 -2.8382 -2.3556 -2.3556 3.8597 3.8597 5.0140 5.0140 6.7173 6.7173 6.7635 6.7635 7.0210 7.0210 7.0652 7.0652 7.1478 7.1478 7.8739 7.8739 7.9694 7.9694 8.0166 8.0166 8.3332 8.3332 9.8092 9.8092 10.4057 10.4057 11.2240 11.2240 12.6610 12.6610 12.7773 12.7773 12.8548 12.8548 12.9484 12.9484 k = 0.0909 0.0525-0.0000 ( 4238 PWs) bands (ev): -45.0233 -45.0233 -45.0232 -45.0232 -22.5507 -22.5507 -22.5507 -22.5507 -20.5178 -20.5178 -20.5175 -20.5175 -20.3750 -20.3750 -20.3749 -20.3749 -4.2125 -4.2125 -3.9348 -3.9348 -2.8319 -2.8319 -2.3530 -2.3530 3.8823 3.8823 5.0347 5.0347 6.6712 6.6712 6.7199 6.7199 7.0360 7.0360 7.0872 7.0872 7.0983 7.0983 7.8258 7.8258 7.9342 7.9342 7.9864 7.9864 8.3549 8.3549 9.8036 9.8036 10.3914 10.3914 11.1582 11.1582 12.6648 12.6648 12.7785 12.7785 12.8883 12.8883 12.9086 12.9086 k = 0.1000 0.0577-0.0000 ( 4242 PWs) bands (ev): -45.0227 -45.0227 -45.0225 -45.0225 -22.5526 -22.5526 -22.5525 -22.5525 -20.5187 -20.5187 -20.5185 -20.5185 -20.3794 -20.3794 -20.3794 -20.3794 -4.1896 -4.1896 -3.9125 -3.9125 -2.8250 -2.8250 -2.3502 -2.3502 3.9068 3.9068 5.0571 5.0571 6.6221 6.6221 6.6735 6.6735 7.0212 7.0212 7.0790 7.0790 7.1113 7.1113 7.7742 7.7742 7.8970 7.8970 7.9538 7.9538 8.3740 8.3740 9.7957 9.7957 10.3743 10.3743 11.0888 11.0888 12.6664 12.6664 12.7856 12.7856 12.8576 12.8576 12.9150 12.9150 k = 0.1091 0.0630-0.0000 ( 4242 PWs) bands (ev): -45.0219 -45.0219 -45.0218 -45.0218 -22.5546 -22.5546 -22.5546 -22.5546 -20.5198 -20.5198 -20.5196 -20.5196 -20.3842 -20.3842 -20.3842 -20.3842 -4.1646 -4.1646 -3.8882 -3.8882 -2.8175 -2.8175 -2.3471 -2.3471 3.9331 3.9331 5.0807 5.0807 6.5705 6.5705 6.6248 6.6248 6.9703 6.9703 7.0966 7.0966 7.1374 7.1374 7.7196 7.7196 7.8580 7.8580 7.9190 7.9190 8.3899 8.3899 9.7853 9.7853 10.3543 10.3543 11.0165 11.0165 12.6659 12.6659 12.7992 12.7992 12.8123 12.8123 12.9008 12.9008 k = 0.1182 0.0682-0.0000 ( 4246 PWs) bands (ev): -45.0212 -45.0212 -45.0210 -45.0210 -22.5568 -22.5568 -22.5568 -22.5568 -20.5211 -20.5211 -20.5209 -20.5209 -20.3892 -20.3892 -20.3891 -20.3891 -4.1377 -4.1377 -3.8622 -3.8622 -2.8094 -2.8094 -2.3437 -2.3437 3.9610 3.9610 5.1054 5.1054 6.5170 6.5170 6.5742 6.5742 6.9135 6.9135 7.1211 7.1211 7.1655 7.1655 7.6624 7.6624 7.8174 7.8174 7.8824 7.8824 8.4024 8.4024 9.7725 9.7725 10.3309 10.3309 10.9419 10.9419 12.6642 12.6642 12.7652 12.7652 12.8211 12.8211 12.8780 12.8780 k = 0.1273 0.0735-0.0000 ( 4252 PWs) bands (ev): -45.0204 -45.0204 -45.0203 -45.0203 -22.5592 -22.5592 -22.5592 -22.5592 -20.5225 -20.5225 -20.5223 -20.5223 -20.3943 -20.3943 -20.3943 -20.3943 -4.1089 -4.1089 -3.8343 -3.8343 -2.8008 -2.8008 -2.3402 -2.3402 3.9903 3.9903 5.1309 5.1309 6.4621 6.4621 6.5222 6.5222 6.8551 6.8551 7.1482 7.1482 7.1955 7.1955 7.6031 7.6031 7.7753 7.7753 7.8440 7.8440 8.4112 8.4112 9.7573 9.7573 10.3038 10.3038 10.8657 10.8657 12.6613 12.6613 12.7223 12.7223 12.8395 12.8395 12.8619 12.8619 k = 0.1364 0.0787-0.0000 ( 4250 PWs) bands (ev): -45.0195 -45.0195 -45.0195 -45.0195 -22.5617 -22.5617 -22.5616 -22.5616 -20.5242 -20.5242 -20.5240 -20.5240 -20.3997 -20.3997 -20.3997 -20.3997 -4.0783 -4.0783 -3.8048 -3.8048 -2.7916 -2.7916 -2.3364 -2.3364 4.0209 4.0209 5.1566 5.1566 6.4064 6.4064 6.4692 6.4692 6.7959 6.7959 7.1772 7.1772 7.2272 7.2272 7.5420 7.5420 7.7321 7.7321 7.8042 7.8042 8.4160 8.4160 9.7397 9.7397 10.2727 10.2727 10.7885 10.7885 12.6519 12.6519 12.6894 12.6894 12.8218 12.8218 12.8867 12.8867 k = 0.1455 0.0840-0.0000 ( 4266 PWs) bands (ev): -45.0187 -45.0187 -45.0186 -45.0186 -22.5644 -22.5644 -22.5643 -22.5643 -20.5261 -20.5261 -20.5258 -20.5258 -20.4051 -20.4051 -20.4051 -20.4051 -4.0460 -4.0460 -3.7736 -3.7736 -2.7818 -2.7818 -2.3325 -2.3325 4.0524 4.0524 5.1822 5.1822 6.3506 6.3506 6.4158 6.4158 6.7362 6.7362 7.2079 7.2079 7.2606 7.2606 7.4793 7.4793 7.6878 7.6878 7.7632 7.7632 8.4168 8.4168 9.7201 9.7201 10.2375 10.2375 10.7108 10.7108 12.6235 12.6235 12.6805 12.6805 12.7966 12.7966 12.9236 12.9236 k = 0.1545 0.0892-0.0000 ( 4272 PWs) bands (ev): -45.0178 -45.0178 -45.0177 -45.0177 -22.5672 -22.5672 -22.5671 -22.5671 -20.5282 -20.5282 -20.5280 -20.5280 -20.4105 -20.4105 -20.4105 -20.4105 -4.0121 -4.0121 -3.7409 -3.7409 -2.7716 -2.7716 -2.3283 -2.3283 4.0846 4.0846 5.2071 5.2071 6.2953 6.2953 6.3625 6.3625 6.6762 6.6762 7.2399 7.2399 7.2955 7.2955 7.4158 7.4158 7.6428 7.6428 7.7212 7.7212 8.4136 8.4136 9.6986 9.6986 10.1978 10.1978 10.6333 10.6333 12.5885 12.5885 12.6842 12.6842 12.7713 12.7713 12.9635 12.9635 k = 0.1636 0.0945-0.0000 ( 4276 PWs) bands (ev): -45.0168 -45.0168 -45.0168 -45.0168 -22.5701 -22.5701 -22.5700 -22.5700 -20.5306 -20.5306 -20.5304 -20.5304 -20.4160 -20.4160 -20.4160 -20.4160 -3.9765 -3.9765 -3.7068 -3.7068 -2.7609 -2.7609 -2.3240 -2.3240 4.1172 4.1172 5.2304 5.2304 6.2414 6.2414 6.3098 6.3098 6.6160 6.6160 7.2724 7.2724 7.3291 7.3291 7.3546 7.3546 7.5972 7.5972 7.6785 7.6785 8.4065 8.4065 9.6755 9.6755 10.1537 10.1537 10.5565 10.5565 12.5552 12.5552 12.6924 12.6924 12.7474 12.7474 12.9855 12.9855 k = 0.1727 0.0997-0.0000 ( 4276 PWs) bands (ev): -45.0158 -45.0158 -45.0157 -45.0157 -22.5731 -22.5731 -22.5731 -22.5731 -20.5333 -20.5333 -20.5331 -20.5331 -20.4213 -20.4213 -20.4213 -20.4213 -3.9395 -3.9395 -3.6714 -3.6714 -2.7497 -2.7497 -2.3196 -2.3196 4.1499 4.1499 5.2514 5.2514 6.1897 6.1897 6.2583 6.2583 6.5558 6.5558 7.2776 7.2776 7.3135 7.3135 7.3717 7.3717 7.5513 7.5513 7.6351 7.6351 8.3957 8.3957 9.6510 9.6510 10.1052 10.1052 10.4809 10.4809 12.5254 12.5254 12.6987 12.6987 12.7304 12.7304 12.9706 12.9706 k = 0.1818 0.1050-0.0000 ( 4268 PWs) bands (ev): -45.0148 -45.0148 -45.0146 -45.0146 -22.5763 -22.5763 -22.5762 -22.5762 -20.5363 -20.5363 -20.5362 -20.5362 -20.4265 -20.4265 -20.4265 -20.4265 -3.9010 -3.9010 -3.6347 -3.6347 -2.7380 -2.7380 -2.3150 -2.3150 4.1822 4.1822 5.2690 5.2690 6.1412 6.1412 6.2084 6.2084 6.4957 6.4957 7.2149 7.2149 7.3460 7.3460 7.4102 7.4102 7.5054 7.5054 7.5915 7.5915 8.3814 8.3814 9.6253 9.6253 10.0528 10.0528 10.4067 10.4067 12.4998 12.4998 12.6872 12.6872 12.7362 12.7362 12.9506 12.9506 k = 0.1909 0.1102-0.0000 ( 4268 PWs) bands (ev): -45.0136 -45.0136 -45.0135 -45.0135 -22.5795 -22.5795 -22.5795 -22.5795 -20.5397 -20.5397 -20.5396 -20.5396 -20.4315 -20.4315 -20.4315 -20.4315 -3.8613 -3.8613 -3.5968 -3.5968 -2.7260 -2.7260 -2.3103 -2.3103 4.2139 4.2139 5.2820 5.2820 6.0968 6.0968 6.1610 6.1610 6.4356 6.4356 7.1484 7.1484 7.3818 7.3818 7.4461 7.4461 7.4638 7.4638 7.5479 7.5479 8.3638 8.3638 9.5988 9.5988 9.9969 9.9969 10.3343 10.3343 12.4786 12.4786 12.6665 12.6665 12.7561 12.7561 12.9301 12.9301 k = 0.2000 0.1155-0.0000 ( 4268 PWs) bands (ev): -45.0125 -45.0125 -45.0124 -45.0124 -22.5829 -22.5829 -22.5828 -22.5828 -20.5436 -20.5436 -20.5434 -20.5434 -20.4362 -20.4362 -20.4362 -20.4362 -3.8203 -3.8203 -3.5579 -3.5579 -2.7136 -2.7136 -2.3055 -2.3055 4.2444 4.2444 5.2892 5.2892 6.0572 6.0572 6.1169 6.1169 6.3758 6.3758 7.0814 7.0814 7.4053 7.4053 7.4255 7.4255 7.4892 7.4892 7.5084 7.5084 8.3434 8.3434 9.5716 9.5716 9.9383 9.9383 10.2636 10.2636 12.4620 12.4620 12.6452 12.6452 12.7817 12.7817 12.9099 12.9099 k = 0.2091 0.1207-0.0000 ( 4270 PWs) bands (ev): -45.0114 -45.0114 -45.0113 -45.0113 -22.5863 -22.5863 -22.5863 -22.5863 -20.5478 -20.5478 -20.5476 -20.5476 -20.4407 -20.4407 -20.4407 -20.4407 -3.7782 -3.7782 -3.5181 -3.5181 -2.7008 -2.7008 -2.3006 -2.3006 4.2733 4.2733 5.2894 5.2894 6.0228 6.0228 6.0775 6.0775 6.3163 6.3163 7.0143 7.0143 7.3641 7.3641 7.4504 7.4504 7.4675 7.4675 7.5371 7.5371 8.3204 8.3204 9.5439 9.5439 9.8778 9.8778 10.1948 10.1948 12.4499 12.4499 12.6247 12.6247 12.8111 12.8111 12.8903 12.8903 k = 0.2182 0.1260-0.0000 ( 4274 PWs) bands (ev): -45.0103 -45.0103 -45.0101 -45.0101 -22.5899 -22.5899 -22.5898 -22.5898 -20.5524 -20.5524 -20.5523 -20.5523 -20.4448 -20.4448 -20.4448 -20.4448 -3.7350 -3.7350 -3.4775 -3.4775 -2.6877 -2.6877 -2.2956 -2.2956 4.3001 4.3001 5.2819 5.2819 5.9924 5.9924 6.0449 6.0449 6.2571 6.2571 6.9472 6.9472 7.3188 7.3188 7.4134 7.4134 7.4998 7.4998 7.5799 7.5799 8.2953 8.2953 9.5160 9.5160 9.8164 9.8164 10.1279 10.1279 12.4423 12.4423 12.6056 12.6056 12.8424 12.8424 12.8732 12.8732 k = 0.2273 0.1312-0.0000 ( 4266 PWs) bands (ev): -45.0091 -45.0091 -45.0089 -45.0089 -22.5935 -22.5935 -22.5934 -22.5934 -20.5574 -20.5574 -20.5573 -20.5573 -20.4485 -20.4485 -20.4485 -20.4485 -3.6910 -3.6910 -3.4362 -3.4362 -2.6743 -2.6743 -2.2906 -2.2906 4.3244 4.3244 5.2662 5.2662 5.9643 5.9643 6.0215 6.0215 6.1984 6.1984 6.8804 6.8804 7.2737 7.2737 7.3705 7.3705 7.5387 7.5387 7.6236 7.6236 8.2686 8.2686 9.4879 9.4879 9.7552 9.7552 10.0630 10.0630 12.4391 12.4391 12.5880 12.5880 12.8483 12.8483 12.8856 12.8856 k = 0.2364 0.1365-0.0000 ( 4262 PWs) bands (ev): -45.0078 -45.0078 -45.0077 -45.0077 -22.5971 -22.5971 -22.5971 -22.5971 -20.5628 -20.5628 -20.5626 -20.5626 -20.4520 -20.4520 -20.4519 -20.4519 -3.6462 -3.6462 -3.3943 -3.3943 -2.6607 -2.6607 -2.2855 -2.2855 4.3457 4.3457 5.2429 5.2429 5.9374 5.9374 6.0080 6.0080 6.1404 6.1404 6.8140 6.8140 7.2291 7.2291 7.3278 7.3278 7.5782 7.5782 7.6680 7.6680 8.2405 8.2405 9.4600 9.4600 9.6950 9.6950 10.0001 10.0001 12.4400 12.4400 12.5720 12.5720 12.8324 12.8324 12.9235 12.9235 k = 0.2455 0.1417-0.0000 ( 4266 PWs) bands (ev): -45.0067 -45.0067 -45.0066 -45.0066 -22.6008 -22.6008 -22.6008 -22.6008 -20.5685 -20.5685 -20.5684 -20.5684 -20.4550 -20.4550 -20.4549 -20.4549 -3.6006 -3.6006 -3.3520 -3.3520 -2.6468 -2.6468 -2.2805 -2.2805 4.3636 4.3636 5.2126 5.2126 5.9125 5.9125 6.0025 6.0025 6.0833 6.0833 6.7482 6.7482 7.1852 7.1852 7.2855 7.2855 7.6178 7.6178 7.7127 7.7127 8.2114 8.2114 9.4322 9.4322 9.6367 9.6367 9.9395 9.9395 12.4449 12.4449 12.5579 12.5579 12.8163 12.8163 12.9651 12.9651 k = 0.2545 0.1470-0.0000 ( 4262 PWs) bands (ev): -45.0055 -45.0055 -45.0053 -45.0053 -22.6046 -22.6046 -22.6045 -22.6045 -20.5745 -20.5745 -20.5744 -20.5744 -20.4577 -20.4577 -20.4577 -20.4577 -3.5546 -3.5546 -3.3094 -3.3094 -2.6328 -2.6328 -2.2755 -2.2755 4.3779 4.3779 5.1767 5.1767 5.8907 5.8907 6.0003 6.0003 6.0297 6.0297 6.6832 6.6832 7.1421 7.1421 7.2440 7.2440 7.6575 7.6575 7.7575 7.7575 8.1818 8.1818 9.4048 9.4048 9.5812 9.5812 9.8815 9.8815 12.4533 12.4533 12.5457 12.5457 12.8011 12.8011 13.0090 13.0090 k = 0.2636 0.1522-0.0000 ( 4262 PWs) bands (ev): -45.0043 -45.0043 -45.0042 -45.0042 -22.6083 -22.6083 -22.6083 -22.6083 -20.5807 -20.5807 -20.5806 -20.5806 -20.4601 -20.4601 -20.4601 -20.4601 -3.5081 -3.5081 -3.2667 -3.2667 -2.6186 -2.6186 -2.2705 -2.2705 4.3882 4.3882 5.1365 5.1365 5.8726 5.8726 5.9659 5.9659 6.0131 6.0131 6.6191 6.6191 7.1000 7.1000 7.2032 7.2032 7.6968 7.6968 7.8024 7.8024 8.1520 8.1520 9.3779 9.3779 9.5290 9.5290 9.8266 9.8266 12.4651 12.4651 12.5355 12.5355 12.7872 12.7872 13.0544 13.0544 k = 0.2727 0.1575-0.0000 ( 4264 PWs) bands (ev): -45.0032 -45.0032 -45.0030 -45.0030 -22.6121 -22.6121 -22.6121 -22.6121 -20.5872 -20.5872 -20.5871 -20.5871 -20.4622 -20.4622 -20.4622 -20.4622 -3.4613 -3.4613 -3.2239 -3.2239 -2.6043 -2.6043 -2.2656 -2.2656 4.3944 4.3944 5.0931 5.0931 5.8581 5.8581 5.9126 5.9126 6.0190 6.0190 6.5561 6.5561 7.0587 7.0587 7.1634 7.1634 7.7357 7.7357 7.8471 7.8471 8.1224 8.1224 9.3515 9.3515 9.4808 9.4808 9.7751 9.7751 12.4799 12.4799 12.5274 12.5274 12.7746 12.7746 13.1009 13.1009 k = 0.2818 0.1627-0.0000 ( 4272 PWs) bands (ev): -45.0021 -45.0021 -45.0019 -45.0019 -22.6159 -22.6159 -22.6158 -22.6158 -20.5937 -20.5937 -20.5937 -20.5937 -20.4641 -20.4641 -20.4640 -20.4640 -3.4144 -3.4144 -3.1813 -3.1813 -2.5900 -2.5900 -2.2607 -2.2607 4.3967 4.3967 5.0475 5.0475 5.8434 5.8434 5.8632 5.8632 6.0268 6.0268 6.4943 6.4943 7.0186 7.0186 7.1245 7.1245 7.7739 7.7739 7.8913 7.8913 8.0933 8.0933 9.3259 9.3259 9.4370 9.4370 9.7276 9.7276 12.4976 12.4976 12.5214 12.5214 12.7636 12.7636 13.1477 13.1477 k = 0.2909 0.1680-0.0000 ( 4270 PWs) bands (ev): -45.0008 -45.0008 -45.0008 -45.0008 -22.6196 -22.6196 -22.6196 -22.6196 -20.6004 -20.6004 -20.6003 -20.6003 -20.4657 -20.4657 -20.4656 -20.4656 -3.3674 -3.3674 -3.1389 -3.1389 -2.5756 -2.5756 -2.2560 -2.2560 4.3951 4.3951 5.0007 5.0007 5.8013 5.8013 5.8457 5.8457 6.0346 6.0346 6.4338 6.4338 6.9797 6.9797 7.0867 7.0867 7.8111 7.8111 7.9348 7.9348 8.0654 8.0654 9.3010 9.3010 9.3978 9.3978 9.6846 9.6846 12.5168 12.5168 12.5183 12.5183 12.7540 12.7540 13.1945 13.1945 k = 0.3000 0.1732-0.0000 ( 4274 PWs) bands (ev): -44.9997 -44.9997 -44.9997 -44.9997 -22.6234 -22.6234 -22.6233 -22.6233 -20.6071 -20.6071 -20.6070 -20.6070 -20.4671 -20.4671 -20.4670 -20.4670 -3.3206 -3.3206 -3.0970 -3.0970 -2.5612 -2.5612 -2.2514 -2.2514 4.3899 4.3899 4.9533 4.9533 5.7501 5.7501 5.8417 5.8417 6.0414 6.0414 6.3748 6.3748 6.9419 6.9419 7.0501 7.0501 7.8469 7.8469 7.9763 7.9763 8.0402 8.0402 9.2769 9.2769 9.3635 9.3635 9.6465 9.6465 12.5156 12.5156 12.5399 12.5399 12.7462 12.7462 13.2404 13.2404 k = 0.3091 0.1785-0.0000 ( 4278 PWs) bands (ev): -44.9986 -44.9986 -44.9986 -44.9986 -22.6270 -22.6270 -22.6270 -22.6270 -20.6138 -20.6138 -20.6137 -20.6137 -20.4683 -20.4683 -20.4682 -20.4682 -3.2740 -3.2740 -3.0556 -3.0556 -2.5469 -2.5469 -2.2469 -2.2469 4.3815 4.3815 4.9059 4.9059 5.6993 5.6993 5.8411 5.8411 6.0466 6.0466 6.3174 6.3174 6.9054 6.9054 7.0146 7.0146 7.8802 7.8802 8.0015 8.0015 8.0329 8.0329 9.2539 9.2539 9.3341 9.3341 9.6139 9.6139 12.5159 12.5159 12.5640 12.5640 12.7402 12.7402 13.2847 13.2847 k = 0.3182 0.1837-0.0000 ( 4282 PWs) bands (ev): -44.9976 -44.9976 -44.9975 -44.9975 -22.6307 -22.6307 -22.6306 -22.6306 -20.6204 -20.6204 -20.6203 -20.6203 -20.4693 -20.4693 -20.4692 -20.4692 -3.2279 -3.2279 -3.0150 -3.0150 -2.5327 -2.5327 -2.2427 -2.2427 4.3704 4.3704 4.8589 4.8589 5.6496 5.6496 5.8427 5.8427 6.0496 6.0496 6.2618 6.2618 6.8703 6.8703 6.9805 6.9805 7.9077 7.9077 7.9900 7.9900 8.0671 8.0671 9.2319 9.2319 9.3096 9.3096 9.5871 9.5871 12.5182 12.5182 12.5895 12.5895 12.7361 12.7361 13.3261 13.3261 k = 0.3273 0.1890-0.0000 ( 4286 PWs) bands (ev): -44.9967 -44.9967 -44.9964 -44.9964 -22.6342 -22.6342 -22.6342 -22.6342 -20.6269 -20.6269 -20.6269 -20.6269 -20.4702 -20.4702 -20.4701 -20.4701 -3.1824 -3.1824 -2.9753 -2.9753 -2.5186 -2.5186 -2.2386 -2.2386 4.3571 4.3571 4.8126 4.8126 5.6014 5.6014 5.8456 5.8456 6.0503 6.0503 6.2081 6.2081 6.8367 6.8367 6.9477 6.9477 7.9192 7.9192 7.9881 7.9881 8.1065 8.1065 9.2110 9.2110 9.2899 9.2899 9.5664 9.5664 12.5224 12.5224 12.6159 12.6159 12.7344 12.7344 13.3631 13.3631 k = 0.3364 0.1942-0.0000 ( 4286 PWs) bands (ev): -44.9956 -44.9956 -44.9954 -44.9954 -22.6377 -22.6377 -22.6377 -22.6377 -20.6333 -20.6333 -20.6332 -20.6332 -20.4710 -20.4710 -20.4709 -20.4709 -3.1376 -3.1376 -2.9366 -2.9366 -2.5048 -2.5048 -2.2347 -2.2347 4.3419 4.3419 4.7675 4.7675 5.5547 5.5547 5.8493 5.8493 6.0486 6.0486 6.1564 6.1564 6.8044 6.8044 6.9163 6.9163 7.9095 7.9095 8.0066 8.0066 8.1453 8.1453 9.1912 9.1912 9.2748 9.2748 9.5519 9.5519 12.5285 12.5285 12.6422 12.6422 12.7356 12.7356 13.3925 13.3925 k = 0.3455 0.1994-0.0000 ( 4284 PWs) bands (ev): -44.9946 -44.9946 -44.9944 -44.9944 -22.6410 -22.6410 -22.6410 -22.6410 -20.6395 -20.6395 -20.6394 -20.6394 -20.4716 -20.4716 -20.4716 -20.4716 -3.0937 -3.0937 -2.8992 -2.8992 -2.4912 -2.4912 -2.2311 -2.2311 4.3255 4.3255 4.7236 4.7236 5.5097 5.5097 5.8531 5.8531 6.0446 6.0446 6.1068 6.1068 6.7737 6.7737 6.8863 6.8863 7.8916 7.8916 8.0330 8.0330 8.1830 8.1830 9.1725 9.1725 9.2643 9.2643 9.5435 9.5435 12.5363 12.5363 12.6666 12.6666 12.7413 12.7413 13.4102 13.4102 k = 0.3545 0.2047-0.0000 ( 4296 PWs) bands (ev): -44.9937 -44.9937 -44.9935 -44.9935 -22.6443 -22.6443 -22.6443 -22.6443 -20.6455 -20.6455 -20.6454 -20.6454 -20.4722 -20.4722 -20.4721 -20.4721 -3.0509 -3.0509 -2.8631 -2.8631 -2.4779 -2.4779 -2.2277 -2.2277 4.3083 4.3083 4.6812 4.6812 5.4665 5.4665 5.8563 5.8563 6.0382 6.0382 6.0599 6.0599 6.7445 6.7445 6.8579 6.8579 7.8721 7.8721 8.0608 8.0608 8.2193 8.2193 9.1549 9.1549 9.2581 9.2581 9.5411 9.5411 12.5455 12.5455 12.6864 12.6864 12.7541 12.7541 13.4155 13.4155 k = 0.3636 0.2099-0.0000 ( 4296 PWs) bands (ev): -44.9928 -44.9928 -44.9926 -44.9926 -22.6475 -22.6475 -22.6475 -22.6475 -20.6512 -20.6512 -20.6512 -20.6512 -20.4727 -20.4727 -20.4726 -20.4726 -3.0093 -3.0093 -2.8285 -2.8285 -2.4649 -2.4649 -2.2246 -2.2246 4.2906 4.2906 4.6405 4.6405 5.4252 5.4252 5.8585 5.8585 6.0140 6.0140 6.0315 6.0315 6.7169 6.7169 6.8310 6.8310 7.8529 7.8529 8.0881 8.0881 8.2540 8.2540 9.1384 9.1384 9.2561 9.2561 9.5441 9.5441 12.5562 12.5562 12.6999 12.6999 12.7754 12.7754 13.4128 13.4128 k = 0.3727 0.2152-0.0000 ( 4296 PWs) bands (ev): -44.9920 -44.9920 -44.9916 -44.9916 -22.6505 -22.6505 -22.6504 -22.6504 -20.6567 -20.6567 -20.6567 -20.6567 -20.4731 -20.4731 -20.4730 -20.4730 -2.9692 -2.9692 -2.7955 -2.7955 -2.4524 -2.4524 -2.2218 -2.2218 4.2729 4.2729 4.6015 4.6015 5.3860 5.3860 5.8593 5.8593 5.9722 5.9722 6.0218 6.0218 6.6909 6.6909 6.8056 6.8056 7.8346 7.8346 8.1142 8.1142 8.2869 8.2869 9.1229 9.1229 9.2579 9.2579 9.5520 9.5520 12.5679 12.5679 12.7089 12.7089 12.8031 12.8031 13.4059 13.4059 k = 0.3818 0.2204-0.0000 ( 4296 PWs) bands (ev): -44.9911 -44.9911 -44.9909 -44.9909 -22.6533 -22.6533 -22.6533 -22.6533 -20.6619 -20.6619 -20.6619 -20.6619 -20.4734 -20.4734 -20.4733 -20.4733 -2.9306 -2.9306 -2.7644 -2.7644 -2.4403 -2.4403 -2.2193 -2.2193 4.2555 4.2555 4.5646 4.5646 5.3490 5.3490 5.8579 5.8579 5.9333 5.9333 6.0115 6.0115 6.6666 6.6666 6.7819 6.7819 7.8175 7.8175 8.1388 8.1388 8.3179 8.3179 9.1086 9.1086 9.2634 9.2634 9.5641 9.5641 12.5806 12.5806 12.7158 12.7158 12.8345 12.8345 13.3967 13.3967 k = 0.3909 0.2257-0.0000 ( 4294 PWs) bands (ev): -44.9903 -44.9903 -44.9900 -44.9900 -22.6560 -22.6560 -22.6560 -22.6560 -20.6668 -20.6668 -20.6668 -20.6668 -20.4737 -20.4737 -20.4736 -20.4736 -2.8938 -2.8938 -2.7352 -2.7352 -2.4287 -2.4287 -2.2171 -2.2171 4.2386 4.2386 4.5297 4.5297 5.3142 5.3142 5.8531 5.8531 5.8987 5.8987 6.0007 6.0007 6.6440 6.6440 6.7598 6.7598 7.8015 7.8015 8.1619 8.1619 8.3470 8.3470 9.0954 9.0954 9.2722 9.2722 9.5794 9.5794 12.5939 12.5939 12.7220 12.7220 12.8678 12.8678 13.3860 13.3860 k = 0.4000 0.2309-0.0000 ( 4298 PWs) bands (ev): -44.9895 -44.9895 -44.9894 -44.9894 -22.6585 -22.6585 -22.6585 -22.6585 -20.6714 -20.6714 -20.6714 -20.6714 -20.4739 -20.4739 -20.4739 -20.4739 -2.8589 -2.8589 -2.7080 -2.7080 -2.4177 -2.4177 -2.2152 -2.2152 4.2226 4.2226 4.4971 4.4971 5.2819 5.2819 5.8407 5.8407 5.8728 5.8728 5.9898 5.9898 6.6231 6.6231 6.7394 6.7394 7.7869 7.7869 8.1833 8.1833 8.3741 8.3741 9.0833 9.0833 9.2838 9.2838 9.5973 9.5973 12.6075 12.6075 12.7280 12.7280 12.9021 12.9021 13.3744 13.3744 k = 0.4091 0.2362-0.0000 ( 4294 PWs) bands (ev): -44.9889 -44.9889 -44.9887 -44.9887 -22.6609 -22.6609 -22.6609 -22.6609 -20.6757 -20.6757 -20.6757 -20.6757 -20.4741 -20.4741 -20.4741 -20.4741 -2.8261 -2.8261 -2.6831 -2.6831 -2.4073 -2.4073 -2.2136 -2.2136 4.2076 4.2076 4.4667 4.4667 5.2519 5.2519 5.8173 5.8173 5.8591 5.8591 5.9792 5.9792 6.6039 6.6039 6.7207 6.7207 7.7736 7.7736 8.2029 8.2029 8.3990 8.3990 9.0722 9.0722 9.2977 9.2977 9.6168 9.6168 12.6213 12.6213 12.7340 12.7340 12.9369 12.9369 13.3622 13.3622 k = 0.4182 0.2414-0.0000 ( 4296 PWs) bands (ev): -44.9883 -44.9883 -44.9881 -44.9881 -22.6630 -22.6630 -22.6630 -22.6630 -20.6795 -20.6795 -20.6795 -20.6795 -20.4743 -20.4743 -20.4742 -20.4742 -2.7957 -2.7957 -2.6604 -2.6604 -2.3976 -2.3976 -2.2122 -2.2122 4.1938 4.1938 4.4387 4.4387 5.2246 5.2246 5.7908 5.7908 5.8501 5.8501 5.9691 5.9691 6.5865 6.5865 6.7036 6.7036 7.7617 7.7617 8.2208 8.2208 8.4216 8.4216 9.0623 9.0623 9.3133 9.3133 9.6371 9.6371 12.6348 12.6348 12.7399 12.7399 12.9717 12.9717 13.3497 13.3497 k = 0.4273 0.2467-0.0000 ( 4280 PWs) bands (ev): -44.9877 -44.9877 -44.9873 -44.9873 -22.6650 -22.6650 -22.6650 -22.6650 -20.6830 -20.6830 -20.6830 -20.6830 -20.4744 -20.4744 -20.4743 -20.4743 -2.7676 -2.7676 -2.6400 -2.6400 -2.3887 -2.3887 -2.2112 -2.2112 4.1813 4.1813 4.4132 4.4132 5.1999 5.1999 5.7655 5.7655 5.8418 5.8418 5.9597 5.9597 6.5709 6.5709 6.6884 6.6884 7.7511 7.7511 8.2368 8.2368 8.4421 8.4421 9.0535 9.0535 9.3300 9.3300 9.6573 9.6573 12.6480 12.6480 12.7458 12.7458 13.0063 13.0063 13.3369 13.3369 k = 0.4364 0.2519-0.0000 ( 4286 PWs) bands (ev): -44.9872 -44.9872 -44.9869 -44.9869 -22.6667 -22.6667 -22.6667 -22.6667 -20.6862 -20.6862 -20.6862 -20.6862 -20.4745 -20.4745 -20.4745 -20.4745 -2.7423 -2.7423 -2.6221 -2.6221 -2.3806 -2.3806 -2.2103 -2.2103 4.1701 4.1701 4.3904 4.3904 5.1779 5.1779 5.7427 5.7427 5.8336 5.8336 5.9512 5.9512 6.5571 6.5571 6.6748 6.6748 7.7417 7.7417 8.2509 8.2509 8.4602 8.4602 9.0458 9.0458 9.3472 9.3472 9.6768 9.6768 12.6603 12.6603 12.7514 12.7514 13.0400 13.0400 13.3240 13.3240 k = 0.4455 0.2572-0.0000 ( 4292 PWs) bands (ev): -44.9869 -44.9869 -44.9864 -44.9864 -22.6682 -22.6682 -22.6682 -22.6682 -20.6889 -20.6889 -20.6889 -20.6889 -20.4746 -20.4746 -20.4746 -20.4746 -2.7197 -2.7197 -2.6067 -2.6067 -2.3733 -2.3733 -2.2097 -2.2097 4.1605 4.1605 4.3703 4.3703 5.1587 5.1587 5.7226 5.7226 5.8257 5.8257 5.9437 5.9437 6.5451 6.5451 6.6631 6.6631 7.7337 7.7337 8.2632 8.2632 8.4759 8.4759 9.0391 9.0391 9.3640 9.3640 9.6949 9.6949 12.6716 12.6716 12.7566 12.7566 13.0726 13.0726 13.3111 13.3111 k = 0.4545 0.2624-0.0000 ( 4300 PWs) bands (ev): -44.9865 -44.9865 -44.9862 -44.9862 -22.6696 -22.6696 -22.6695 -22.6695 -20.6912 -20.6912 -20.6912 -20.6912 -20.4747 -20.4747 -20.4746 -20.4746 -2.7002 -2.7002 -2.5937 -2.5937 -2.3671 -2.3671 -2.2093 -2.2093 4.1524 4.1524 4.3530 4.3530 5.1424 5.1424 5.7054 5.7054 5.8182 5.8182 5.9372 5.9372 6.5349 6.5349 6.6531 6.6531 7.7269 7.7269 8.2736 8.2736 8.4893 8.4893 9.0335 9.0335 9.3797 9.3797 9.7111 9.7111 12.6817 12.6817 12.7613 12.7613 13.1036 13.1036 13.2982 13.2982 k = 0.4636 0.2677-0.0000 ( 4296 PWs) bands (ev): -44.9862 -44.9862 -44.9858 -44.9858 -22.6706 -22.6706 -22.6706 -22.6706 -20.6931 -20.6931 -20.6931 -20.6931 -20.4747 -20.4747 -20.4747 -20.4747 -2.6839 -2.6839 -2.5832 -2.5832 -2.3618 -2.3618 -2.2091 -2.2091 4.1457 4.1457 4.3387 4.3387 5.1289 5.1289 5.6913 5.6913 5.8116 5.8116 5.9317 5.9317 6.5266 6.5266 6.6450 6.6450 7.7214 7.7214 8.2821 8.2821 8.5003 8.5003 9.0289 9.0289 9.3937 9.3937 9.7249 9.7249 12.6903 12.6903 12.7653 12.7653 13.1326 13.1326 13.2850 13.2850 k = 0.4727 0.2729-0.0000 ( 4294 PWs) bands (ev): -44.9859 -44.9859 -44.9856 -44.9856 -22.6715 -22.6715 -22.6714 -22.6714 -20.6946 -20.6946 -20.6946 -20.6946 -20.4747 -20.4747 -20.4747 -20.4747 -2.6709 -2.6709 -2.5751 -2.5751 -2.3577 -2.3577 -2.2089 -2.2089 4.1406 4.1406 4.3274 4.3274 5.1184 5.1184 5.6802 5.6802 5.8061 5.8061 5.9274 5.9274 6.5201 6.5201 6.6386 6.6386 7.7172 7.7172 8.2887 8.2887 8.5088 8.5088 9.0254 9.0254 9.4053 9.4053 9.7360 9.7360 12.6971 12.6971 12.7685 12.7685 13.1592 13.1592 13.2715 13.2715 k = 0.4818 0.2782-0.0000 ( 4296 PWs) bands (ev): -44.9859 -44.9859 -44.9854 -44.9854 -22.6721 -22.6721 -22.6720 -22.6720 -20.6957 -20.6957 -20.6957 -20.6957 -20.4748 -20.4748 -20.4747 -20.4747 -2.6615 -2.6615 -2.5694 -2.5694 -2.3547 -2.3547 -2.2088 -2.2088 4.1370 4.1370 4.3193 4.3193 5.1109 5.1109 5.6723 5.6723 5.8021 5.8021 5.9243 5.9243 6.5154 6.5154 6.6341 6.6341 7.7141 7.7141 8.2934 8.2934 8.5149 8.5149 9.0228 9.0228 9.4141 9.4141 9.7441 9.7441 12.7022 12.7022 12.7709 12.7709 13.1834 13.1834 13.2571 13.2571 k = 0.4909 0.2834-0.0000 ( 4302 PWs) bands (ev): -44.9858 -44.9858 -44.9853 -44.9853 -22.6724 -22.6724 -22.6724 -22.6724 -20.6964 -20.6964 -20.6963 -20.6963 -20.4748 -20.4748 -20.4748 -20.4748 -2.6558 -2.6558 -2.5660 -2.5660 -2.3528 -2.3528 -2.2088 -2.2088 4.1348 4.1348 4.3144 4.3144 5.1064 5.1064 5.6676 5.6676 5.7996 5.7996 5.9224 5.9224 6.5127 6.5127 6.6313 6.6313 7.7123 7.7123 8.2963 8.2963 8.5186 8.5186 9.0213 9.0213 9.4195 9.4195 9.7490 9.7490 12.7053 12.7053 12.7723 12.7723 13.2049 13.2049 13.2418 13.2418 k = 0.5000 0.2887-0.0000 ( 4302 PWs) bands (ev): -44.9858 -44.9858 -44.9853 -44.9853 -22.6726 -22.6726 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6539 -2.6539 -2.5649 -2.5649 -2.3522 -2.3522 -2.2088 -2.2088 4.1341 4.1341 4.3128 4.3128 5.1049 5.1049 5.6660 5.6660 5.7987 5.7987 5.9218 5.9218 6.5117 6.5117 6.6304 6.6304 7.7117 7.7117 8.2972 8.2972 8.5198 8.5198 9.0208 9.0208 9.4213 9.4213 9.7506 9.7506 12.7063 12.7063 12.7729 12.7729 13.2213 13.2213 13.2274 13.2274 k = 0.5000 0.2887-0.0000 ( 4302 PWs) bands (ev): -44.9858 -44.9858 -44.9853 -44.9853 -22.6726 -22.6726 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6539 -2.6539 -2.5649 -2.5649 -2.3522 -2.3522 -2.2088 -2.2088 4.1341 4.1341 4.3128 4.3128 5.1049 5.1049 5.6660 5.6660 5.7987 5.7987 5.9218 5.9218 6.5117 6.5117 6.6304 6.6304 7.7117 7.7117 8.2972 8.2972 8.5198 8.5198 9.0208 9.0208 9.4213 9.4213 9.7506 9.7506 12.7063 12.7063 12.7729 12.7729 13.2213 13.2213 13.2274 13.2274 k = 0.4948 0.2977-0.0000 ( 4298 PWs) bands (ev): -44.9857 -44.9857 -44.9853 -44.9853 -22.6736 -22.6736 -22.6715 -22.6715 -20.6978 -20.6978 -20.6952 -20.6952 -20.4750 -20.4750 -20.4748 -20.4748 -2.6535 -2.6535 -2.5644 -2.5644 -2.3520 -2.3520 -2.2087 -2.2087 4.1358 4.1358 4.3141 4.3141 5.1034 5.1034 5.6616 5.6616 5.7995 5.7995 5.9218 5.9218 6.5122 6.5122 6.6336 6.6336 7.7127 7.7127 8.2911 8.2911 8.5151 8.5151 9.0196 9.0196 9.4228 9.4228 9.7517 9.7517 12.7059 12.7059 12.7726 12.7726 13.2166 13.2166 13.2337 13.2337 k = 0.4896 0.3067-0.0000 ( 4300 PWs) bands (ev): -44.9857 -44.9857 -44.9853 -44.9853 -22.6747 -22.6747 -22.6705 -22.6705 -20.6990 -20.6990 -20.6937 -20.6937 -20.4756 -20.4756 -20.4752 -20.4752 -2.6521 -2.6521 -2.5630 -2.5630 -2.3511 -2.3511 -2.2083 -2.2083 4.1410 4.1410 4.3182 4.3182 5.0991 5.0991 5.6488 5.6488 5.8017 5.8017 5.9219 5.9219 6.5135 6.5135 6.6430 6.6430 7.7157 7.7157 8.2729 8.2729 8.5008 8.5008 9.0161 9.0161 9.4270 9.4270 9.7549 9.7549 12.7047 12.7047 12.7719 12.7719 13.2110 13.2110 13.2443 13.2443 k = 0.4844 0.3157-0.0000 ( 4296 PWs) bands (ev): -44.9855 -44.9855 -44.9852 -44.9852 -22.6758 -22.6758 -22.6696 -22.6696 -20.7001 -20.7001 -20.6922 -20.6922 -20.4765 -20.4765 -20.4758 -20.4758 -2.6498 -2.6498 -2.5606 -2.5606 -2.3498 -2.3498 -2.2076 -2.2076 4.1496 4.1496 4.3249 4.3249 5.0919 5.0919 5.6281 5.6281 5.8055 5.8055 5.9220 5.9220 6.5159 6.5159 6.6581 6.6581 7.7207 7.7207 8.2431 8.2431 8.4774 8.4774 9.0101 9.0101 9.4339 9.4339 9.7600 9.7600 12.7021 12.7021 12.7704 12.7704 13.2065 13.2065 13.2578 13.2578 k = 0.4792 0.3248-0.0000 ( 4296 PWs) bands (ev): -44.9854 -44.9854 -44.9852 -44.9852 -22.6769 -22.6769 -22.6686 -22.6686 -20.7012 -20.7012 -20.6905 -20.6905 -20.4777 -20.4777 -20.4768 -20.4768 -2.6467 -2.6467 -2.5574 -2.5574 -2.3478 -2.3478 -2.2066 -2.2066 4.1616 4.1616 4.3343 4.3343 5.0819 5.0819 5.6004 5.6004 5.8107 5.8107 5.9222 5.9222 6.5192 6.5192 6.6781 6.6781 7.7273 7.7273 8.2024 8.2024 8.4450 8.4450 9.0018 9.0018 9.4433 9.4433 9.7667 9.7667 12.6977 12.6977 12.7678 12.7678 13.2034 13.2034 13.2747 13.2747 k = 0.4740 0.3338-0.0000 ( 4304 PWs) bands (ev): -44.9854 -44.9854 -44.9852 -44.9852 -22.6781 -22.6781 -22.6678 -22.6678 -20.7021 -20.7021 -20.6888 -20.6888 -20.4791 -20.4791 -20.4782 -20.4782 -2.6427 -2.6427 -2.5533 -2.5533 -2.3454 -2.3454 -2.2054 -2.2054 4.1771 4.1771 4.3464 4.3464 5.0693 5.0693 5.5666 5.5666 5.8174 5.8174 5.9224 5.9224 6.5235 6.5235 6.7020 6.7020 7.7356 7.7356 8.1518 8.1518 8.4042 8.4042 8.9911 8.9911 9.4549 9.4549 9.7748 9.7748 12.6908 12.6908 12.7632 12.7632 13.2019 13.2019 13.2956 13.2956 k = 0.4688 0.3428-0.0000 ( 4300 PWs) bands (ev): -44.9852 -44.9852 -44.9850 -44.9850 -22.6793 -22.6793 -22.6669 -22.6669 -20.7030 -20.7030 -20.6870 -20.6870 -20.4808 -20.4808 -20.4798 -20.4798 -2.6378 -2.6378 -2.5483 -2.5483 -2.3425 -2.3425 -2.2040 -2.2040 4.1959 4.1959 4.3610 4.3610 5.0541 5.0541 5.5278 5.5278 5.8255 5.8255 5.9227 5.9227 6.5289 6.5289 6.7291 6.7291 7.7451 7.7451 8.0923 8.0923 8.3557 8.3557 8.9780 8.9780 9.4684 9.4684 9.7839 9.7839 12.6810 12.6810 12.7558 12.7558 13.2026 13.2026 13.3210 13.3210 k = 0.4635 0.3518-0.0000 ( 4300 PWs) bands (ev): -44.9850 -44.9850 -44.9849 -44.9849 -22.6805 -22.6805 -22.6662 -22.6662 -20.7039 -20.7039 -20.6850 -20.6850 -20.4827 -20.4827 -20.4817 -20.4817 -2.6322 -2.6322 -2.5425 -2.5425 -2.3390 -2.3390 -2.2024 -2.2024 4.2181 4.2181 4.3783 4.3783 5.0366 5.0366 5.4850 5.4850 5.8350 5.8350 5.9230 5.9230 6.5355 6.5355 6.7587 6.7587 7.7554 7.7554 8.0251 8.0251 8.2999 8.2999 8.9623 8.9623 9.4837 9.4837 9.7937 9.7937 12.6678 12.6678 12.7450 12.7450 13.2059 13.2059 13.3514 13.3514 k = 0.4583 0.3608-0.0000 ( 4296 PWs) bands (ev): -44.9849 -44.9849 -44.9847 -44.9847 -22.6817 -22.6817 -22.6654 -22.6654 -20.7047 -20.7047 -20.6830 -20.6830 -20.4848 -20.4848 -20.4840 -20.4840 -2.6258 -2.6258 -2.5359 -2.5359 -2.3351 -2.3351 -2.2006 -2.2006 4.2436 4.2436 4.3980 4.3980 5.0170 5.0170 5.4391 5.4391 5.8458 5.8458 5.9234 5.9234 6.5431 6.5431 6.7900 6.7900 7.7654 7.7654 7.9521 7.9521 8.2376 8.2376 8.9441 8.9441 9.5006 9.5006 9.8042 9.8042 12.6509 12.6509 12.7299 12.7299 13.2124 13.2124 13.3869 13.3869 k = 0.4531 0.3699-0.0000 ( 4292 PWs) bands (ev): -44.9847 -44.9847 -44.9845 -44.9845 -22.6829 -22.6829 -22.6647 -22.6647 -20.7054 -20.7054 -20.6809 -20.6809 -20.4871 -20.4871 -20.4865 -20.4865 -2.6186 -2.6186 -2.5286 -2.5286 -2.3307 -2.3307 -2.1986 -2.1986 4.2723 4.2723 4.4203 4.4203 4.9954 4.9954 5.3907 5.3907 5.8579 5.8579 5.9237 5.9237 6.5520 6.5520 6.8225 6.8225 7.7706 7.7706 7.8782 7.8782 8.1695 8.1695 8.9233 8.9233 9.5189 9.5189 9.8152 9.8152 12.6302 12.6302 12.7100 12.7100 13.2225 13.2225 13.4273 13.4273 k = 0.4479 0.3789-0.0000 ( 4285 PWs) bands (ev): -44.9845 -44.9845 -44.9842 -44.9842 -22.6841 -22.6841 -22.6641 -22.6641 -20.7061 -20.7061 -20.6787 -20.6787 -20.4895 -20.4895 -20.4892 -20.4892 -2.6108 -2.6108 -2.5207 -2.5207 -2.3259 -2.3259 -2.1964 -2.1964 4.3043 4.3043 4.4449 4.4449 4.9720 4.9720 5.3407 5.3407 5.8711 5.8711 5.9241 5.9241 6.5620 6.5620 6.8560 6.8560 7.7459 7.7459 7.8293 7.8293 8.0962 8.0962 8.8998 8.8998 9.5388 9.5388 9.8267 9.8267 12.6055 12.6055 12.6852 12.6852 13.2363 13.2363 13.4722 13.4722 k = 0.4427 0.3879-0.0000 ( 4279 PWs) bands (ev): -44.9842 -44.9842 -44.9840 -44.9840 -22.6853 -22.6853 -22.6635 -22.6635 -20.7067 -20.7067 -20.6765 -20.6765 -20.4922 -20.4922 -20.4921 -20.4921 -2.6023 -2.6023 -2.5122 -2.5122 -2.3207 -2.3207 -2.1942 -2.1942 4.3393 4.3393 4.4719 4.4719 4.9472 4.9472 5.2897 5.2897 5.8853 5.8853 5.9247 5.9247 6.5732 6.5732 6.8900 6.8900 7.6704 7.6704 7.8268 7.8268 8.0182 8.0182 8.8736 8.8736 9.5601 9.5601 9.8388 9.8388 12.5768 12.5768 12.6556 12.6556 13.2540 13.2540 13.5211 13.5211 k = 0.4375 0.3969-0.0000 ( 4273 PWs) bands (ev): -44.9840 -44.9840 -44.9837 -44.9837 -22.6866 -22.6866 -22.6630 -22.6630 -20.7074 -20.7074 -20.6741 -20.6741 -20.4955 -20.4955 -20.4948 -20.4948 -2.5933 -2.5933 -2.5031 -2.5031 -2.3151 -2.3151 -2.1918 -2.1918 4.3775 4.3775 4.5011 4.5011 4.9213 4.9213 5.2380 5.2380 5.8997 5.8997 5.9260 5.9260 6.5856 6.5856 6.9243 6.9243 7.5785 7.5785 7.8367 7.8367 7.9364 7.9364 8.8448 8.8448 9.5829 9.5829 9.8515 9.8515 12.5443 12.5443 12.6212 12.6212 13.2755 13.2755 13.5734 13.5734 k = 0.4323 0.4059-0.0000 ( 4275 PWs) bands (ev): -44.9838 -44.9838 -44.9835 -44.9835 -22.6878 -22.6878 -22.6625 -22.6625 -20.7080 -20.7080 -20.6717 -20.6717 -20.4989 -20.4989 -20.4975 -20.4975 -2.5837 -2.5837 -2.4937 -2.4937 -2.3092 -2.3092 -2.1894 -2.1894 4.4186 4.4186 4.5326 4.5326 4.8944 4.8944 5.1863 5.1863 5.9118 5.9118 5.9304 5.9304 6.5992 6.5992 6.9588 6.9588 7.4807 7.4807 7.8462 7.8462 7.8540 7.8540 8.8132 8.8132 9.6073 9.6073 9.8651 9.8651 12.5080 12.5080 12.5825 12.5825 13.3008 13.3008 13.6282 13.6282 k = 0.4271 0.4150-0.0000 ( 4279 PWs) bands (ev): -44.9835 -44.9835 -44.9833 -44.9833 -22.6890 -22.6890 -22.6621 -22.6621 -20.7086 -20.7086 -20.6693 -20.6693 -20.5025 -20.5025 -20.5003 -20.5003 -2.5738 -2.5738 -2.4838 -2.4838 -2.3031 -2.3031 -2.1870 -2.1870 4.4626 4.4626 4.5661 4.5661 4.8669 4.8669 5.1349 5.1349 5.9167 5.9167 5.9427 5.9427 6.6138 6.6138 6.9932 6.9932 7.3795 7.3795 7.7628 7.7628 7.8621 7.8621 8.7790 8.7790 9.6332 9.6332 9.8796 9.8796 12.4682 12.4682 12.5397 12.5397 13.3296 13.3296 13.6848 13.6848 k = 0.4219 0.4240-0.0000 ( 4277 PWs) bands (ev): -44.9833 -44.9833 -44.9830 -44.9830 -22.6902 -22.6902 -22.6617 -22.6617 -20.7093 -20.7093 -20.6668 -20.6668 -20.5063 -20.5063 -20.5031 -20.5031 -2.5634 -2.5634 -2.4737 -2.4737 -2.2966 -2.2966 -2.1847 -2.1847 4.5093 4.5093 4.6018 4.6018 4.8391 4.8391 5.0842 5.0842 5.9173 5.9173 5.9601 5.9601 6.6294 6.6294 7.0272 7.0272 7.2763 7.2763 7.6726 7.6726 7.8744 7.8744 8.7424 8.7424 9.6607 9.6607 9.8952 9.8952 12.4251 12.4251 12.4934 12.4934 13.3617 13.3617 13.7425 13.7425 k = 0.4167 0.4330-0.0000 ( 4285 PWs) bands (ev): -44.9831 -44.9831 -44.9829 -44.9829 -22.6914 -22.6914 -22.6614 -22.6614 -20.7099 -20.7099 -20.6643 -20.6643 -20.5102 -20.5102 -20.5059 -20.5059 -2.5528 -2.5528 -2.4634 -2.4634 -2.2899 -2.2899 -2.1824 -2.1824 4.5587 4.5587 4.6394 4.6394 4.8113 4.8113 5.0345 5.0345 5.9163 5.9163 5.9794 5.9794 6.6460 6.6460 7.0590 7.0590 7.1734 7.1734 7.5807 7.5807 7.8860 7.8860 8.7034 8.7034 9.6899 9.6899 9.9122 9.9122 12.3791 12.3791 12.4439 12.4439 13.3970 13.3970 13.8002 13.8002 k = 0.4115 0.4420-0.0000 ( 4283 PWs) bands (ev): -44.9828 -44.9828 -44.9827 -44.9827 -22.6925 -22.6925 -22.6611 -22.6611 -20.7105 -20.7105 -20.6617 -20.6617 -20.5142 -20.5142 -20.5086 -20.5086 -2.5420 -2.5420 -2.4529 -2.4529 -2.2831 -2.2831 -2.1802 -2.1802 4.6103 4.6103 4.6789 4.6789 4.7839 4.7839 4.9861 4.9861 5.9144 5.9144 5.9999 5.9999 6.6634 6.6634 7.0498 7.0498 7.1103 7.1103 7.4879 7.4879 7.8968 7.8968 8.6622 8.6622 9.7207 9.7207 9.9306 9.9306 12.3305 12.3305 12.3917 12.3917 13.4351 13.4351 13.8572 13.8572 k = 0.4062 0.4511-0.0000 ( 4283 PWs) bands (ev): -44.9825 -44.9825 -44.9824 -44.9824 -22.6936 -22.6936 -22.6609 -22.6609 -20.7111 -20.7111 -20.6591 -20.6591 -20.5182 -20.5182 -20.5112 -20.5112 -2.5311 -2.5311 -2.4425 -2.4425 -2.2761 -2.2761 -2.1782 -2.1782 4.6636 4.6636 4.7203 4.7203 4.7578 4.7578 4.9393 4.9393 5.9116 5.9116 6.0213 6.0213 6.6813 6.6813 6.9512 6.9512 7.1358 7.1358 7.3949 7.3949 7.9064 7.9064 8.6190 8.6190 9.7531 9.7531 9.9506 9.9506 12.2797 12.2797 12.3373 12.3373 13.4758 13.4758 13.9120 13.9120 k = 0.4010 0.4601-0.0000 ( 4285 PWs) bands (ev): -44.9823 -44.9823 -44.9822 -44.9822 -22.6947 -22.6947 -22.6607 -22.6607 -20.7118 -20.7118 -20.6566 -20.6566 -20.5222 -20.5222 -20.5138 -20.5138 -2.5201 -2.5201 -2.4322 -2.4322 -2.2690 -2.2690 -2.1763 -2.1763 4.7117 4.7117 4.7377 4.7377 4.7656 4.7656 4.8944 4.8944 5.9080 5.9080 6.0436 6.0436 6.6988 6.6988 6.8462 6.8462 7.1666 7.1666 7.3033 7.3033 7.9148 7.9148 8.5742 8.5742 9.7869 9.7869 9.9722 9.9722 12.2271 12.2271 12.2810 12.2810 13.5188 13.5188 13.9617 13.9617 k = 0.3958 0.4691-0.0000 ( 4283 PWs) bands (ev): -44.9820 -44.9820 -44.9819 -44.9819 -22.6958 -22.6958 -22.6606 -22.6606 -20.7125 -20.7125 -20.6540 -20.6540 -20.5263 -20.5263 -20.5162 -20.5162 -2.5093 -2.5093 -2.4220 -2.4220 -2.2619 -2.2619 -2.1747 -2.1747 4.7015 4.7015 4.7783 4.7783 4.8130 4.8130 4.8518 4.8518 5.9033 5.9033 6.0665 6.0665 6.7052 6.7052 6.7523 6.7523 7.1798 7.1798 7.2305 7.2305 7.9221 7.9221 8.5280 8.5280 9.8221 9.8221 9.9954 9.9954 12.1733 12.1733 12.2234 12.2234 13.5638 13.5638 13.9935 13.9935 k = 0.3906 0.4781-0.0000 ( 4279 PWs) bands (ev): -44.9817 -44.9817 -44.9817 -44.9817 -22.6968 -22.6968 -22.6605 -22.6605 -20.7131 -20.7131 -20.6515 -20.6515 -20.5302 -20.5302 -20.5185 -20.5185 -2.4986 -2.4986 -2.4122 -2.4122 -2.2547 -2.2547 -2.1734 -2.1734 4.6785 4.6785 4.8089 4.8089 4.8331 4.8331 4.8662 4.8662 5.8975 5.8975 6.0900 6.0900 6.6246 6.6246 6.7461 6.7461 7.1081 7.1081 7.2436 7.2436 7.9282 7.9282 8.4807 8.4807 9.8582 9.8582 10.0203 10.0203 12.1187 12.1187 12.1651 12.1651 13.6104 13.6104 13.9907 13.9907 k = 0.3854 0.4871-0.0000 ( 4291 PWs) bands (ev): -44.9816 -44.9816 -44.9815 -44.9815 -22.6977 -22.6977 -22.6604 -22.6604 -20.7138 -20.7138 -20.6491 -20.6491 -20.5341 -20.5341 -20.5206 -20.5206 -2.4882 -2.4882 -2.4027 -2.4027 -2.2476 -2.2476 -2.1724 -2.1724 4.6562 4.6562 4.7721 4.7721 4.8820 4.8820 4.9256 4.9256 5.8901 5.8901 6.1140 6.1140 6.5211 6.5211 6.7637 6.7637 7.0204 7.0204 7.2741 7.2741 7.9334 7.9334 8.4327 8.4327 9.8951 9.8951 10.0467 10.0467 12.0640 12.0640 12.1067 12.1067 13.6584 13.6584 13.9769 13.9769 k = 0.3802 0.4962-0.0000 ( 4283 PWs) bands (ev): -44.9813 -44.9813 -44.9813 -44.9813 -22.6986 -22.6986 -22.6604 -22.6604 -20.7145 -20.7145 -20.6468 -20.6468 -20.5378 -20.5378 -20.5225 -20.5225 -2.4782 -2.4782 -2.3937 -2.3937 -2.2406 -2.2406 -2.1717 -2.1717 4.6355 4.6355 4.7367 4.7367 4.9305 4.9305 4.9897 4.9897 5.8809 5.8809 6.1385 6.1385 6.4177 6.4177 6.7820 6.7820 6.9342 6.9342 7.3053 7.3053 7.9377 7.9377 8.3844 8.3844 9.9322 9.9322 10.0744 10.0744 12.0098 12.0098 12.0489 12.0489 13.7072 13.7072 13.9614 13.9614 k = 0.3750 0.5052-0.0000 ( 4289 PWs) bands (ev): -44.9811 -44.9811 -44.9811 -44.9811 -22.6995 -22.6995 -22.6604 -22.6604 -20.7152 -20.7152 -20.6446 -20.6446 -20.5413 -20.5413 -20.5243 -20.5243 -2.4688 -2.4688 -2.3853 -2.3853 -2.2337 -2.2337 -2.1715 -2.1715 4.6166 4.6166 4.7041 4.7041 4.9783 4.9783 5.0570 5.0570 5.8696 5.8696 6.1634 6.1634 6.3159 6.3159 6.7959 6.7959 6.8551 6.8551 7.3357 7.3357 7.9416 7.9416 8.3364 8.3364 9.9690 9.9690 10.1031 10.1031 11.9569 11.9569 11.9924 11.9924 13.7562 13.7562 13.9462 13.9462 k = 0.3698 0.5142-0.0000 ( 4293 PWs) bands (ev): -44.9810 -44.9810 -44.9809 -44.9809 -22.7002 -22.7002 -22.6605 -22.6605 -20.7159 -20.7159 -20.6426 -20.6426 -20.5446 -20.5446 -20.5258 -20.5258 -2.4599 -2.4599 -2.3776 -2.3776 -2.2270 -2.2270 -2.1717 -2.1717 4.5999 4.5999 4.6744 4.6744 5.0257 5.0257 5.1266 5.1266 5.8555 5.8555 6.1885 6.1885 6.2165 6.2165 6.7594 6.7594 6.8299 6.8299 7.3646 7.3646 7.9455 7.9455 8.2890 8.2890 10.0048 10.0048 10.1322 10.1322 11.9061 11.9061 11.9381 11.9381 13.8043 13.8043 13.9324 13.9324 k = 0.3646 0.5232-0.0000 ( 4295 PWs) bands (ev): -44.9809 -44.9809 -44.9807 -44.9807 -22.7009 -22.7009 -22.6605 -22.6605 -20.7165 -20.7165 -20.6408 -20.6408 -20.5475 -20.5475 -20.5271 -20.5271 -2.4518 -2.4518 -2.3706 -2.3706 -2.2205 -2.2205 -2.1723 -2.1723 4.5854 4.5854 4.6478 4.6478 5.0725 5.0725 5.1982 5.1982 5.8382 5.8382 6.1198 6.1198 6.2143 6.2143 6.6874 6.6874 6.8439 6.8439 7.3915 7.3915 7.9500 7.9500 8.2428 8.2428 10.0388 10.0388 10.1611 10.1611 11.8585 11.8585 11.8870 11.8870 13.8497 13.8497 13.9210 13.9210 k = 0.3594 0.5322-0.0000 ( 4291 PWs) bands (ev): -44.9807 -44.9807 -44.9805 -44.9805 -22.7015 -22.7015 -22.6606 -22.6606 -20.7171 -20.7171 -20.6392 -20.6392 -20.5501 -20.5501 -20.5282 -20.5282 -2.4446 -2.4446 -2.3645 -2.3645 -2.2142 -2.2142 -2.1735 -2.1735 4.5733 4.5733 4.6245 4.6245 5.1182 5.1182 5.2714 5.2714 5.8170 5.8170 6.0272 6.0272 6.2401 6.2401 6.6184 6.6184 6.8593 6.8593 7.4157 7.4157 7.9556 7.9556 8.1985 8.1985 10.0701 10.0701 10.1890 10.1890 11.8150 11.8150 11.8403 11.8403 13.8867 13.8867 13.9133 13.9133 k = 0.3542 0.5413-0.0000 ( 4291 PWs) bands (ev): -44.9806 -44.9806 -44.9803 -44.9803 -22.7020 -22.7020 -22.6607 -22.6607 -20.7176 -20.7176 -20.6378 -20.6378 -20.5522 -20.5522 -20.5291 -20.5291 -2.4384 -2.4384 -2.3594 -2.3594 -2.2083 -2.2083 -2.1751 -2.1751 4.5638 4.5638 4.6047 4.6047 5.1619 5.1619 5.3460 5.3460 5.7911 5.7911 5.9396 5.9396 6.2662 6.2662 6.5556 6.5556 6.8735 6.8735 7.4365 7.4365 7.9631 7.9631 8.1566 8.1566 10.0978 10.0978 10.2148 10.2148 11.7768 11.7768 11.7993 11.7993 13.8999 13.8999 13.9167 13.9167 k = 0.3490 0.5503-0.0000 ( 4287 PWs) bands (ev): -44.9805 -44.9805 -44.9802 -44.9802 -22.7024 -22.7024 -22.6607 -22.6607 -20.7180 -20.7180 -20.6368 -20.6368 -20.5540 -20.5540 -20.5298 -20.5298 -2.4334 -2.4334 -2.3552 -2.3552 -2.2026 -2.2026 -2.1774 -2.1774 4.5569 4.5569 4.5884 4.5884 5.2022 5.2022 5.4217 5.4217 5.7598 5.7598 5.8589 5.8589 6.2922 6.2922 6.5003 6.5003 6.8854 6.8854 7.4533 7.4533 7.9732 7.9732 8.1178 8.1178 10.1208 10.1208 10.2371 10.2371 11.7451 11.7451 11.7654 11.7654 13.8979 13.8979 13.9229 13.9229 k = 0.3438 0.5593-0.0000 ( 4289 PWs) bands (ev): -44.9804 -44.9804 -44.9802 -44.9802 -22.7027 -22.7027 -22.6608 -22.6608 -20.7184 -20.7184 -20.6360 -20.6360 -20.5552 -20.5552 -20.5303 -20.5303 -2.4296 -2.4296 -2.3522 -2.3522 -2.1973 -2.1973 -2.1802 -2.1802 4.5524 4.5524 4.5761 4.5761 5.2368 5.2368 5.4977 5.4977 5.7226 5.7226 5.7883 5.7883 6.3180 6.3180 6.4535 6.4535 6.8946 6.8946 7.4656 7.4656 7.9865 7.9865 8.0828 8.0828 10.1382 10.1382 10.2545 10.2545 11.7212 11.7212 11.7398 11.7398 13.8964 13.8964 13.9240 13.9240 k = 0.3385 0.5683-0.0000 ( 4285 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7186 -20.7186 -20.6356 -20.6356 -20.5559 -20.5559 -20.5306 -20.5306 -2.4273 -2.4273 -2.3503 -2.3503 -2.1924 -2.1924 -2.1835 -2.1835 4.5503 4.5503 4.5681 4.5681 5.2617 5.2617 5.5727 5.5727 5.6808 5.6808 5.7319 5.7319 6.3418 6.3418 6.4171 6.4171 6.9004 6.9004 7.4731 7.4731 8.0031 8.0031 8.0527 8.0527 10.1491 10.1491 10.2658 10.2658 11.7062 11.7062 11.7238 11.7238 13.8962 13.8962 13.9235 13.9235 k = 0.3333 0.5774-0.0000 ( 4281 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5497 4.5497 4.5653 4.5653 5.2713 5.2713 5.6279 5.6279 5.6470 5.6470 5.7012 5.7012 6.3548 6.3548 6.4001 6.4001 6.9024 6.9024 7.4755 7.4755 8.0179 8.0179 8.0333 8.0333 10.1529 10.1529 10.2698 10.2698 11.7010 11.7010 11.7183 11.7183 13.8965 13.8965 13.9230 13.9230 k = 0.3333 0.5774-0.0000 ( 4281 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5497 4.5497 4.5653 4.5653 5.2713 5.2713 5.6279 5.6279 5.6470 5.6470 5.7012 5.7012 6.3548 6.3548 6.4001 6.4001 6.9024 6.9024 7.4755 7.4755 8.0179 8.0179 8.0333 8.0333 10.1529 10.1529 10.2698 10.2698 11.7010 11.7010 11.7183 11.7183 13.8965 13.8965 13.9230 13.9230 k = 0.3281 0.5683-0.0000 ( 4285 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7186 -20.7186 -20.6356 -20.6356 -20.5560 -20.5560 -20.5306 -20.5306 -2.4273 -2.4273 -2.3504 -2.3504 -2.1925 -2.1925 -2.1834 -2.1834 4.5504 4.5504 4.5680 4.5680 5.2607 5.2607 5.5927 5.5927 5.6477 5.6477 5.7462 5.7462 6.3445 6.3445 6.4143 6.4143 6.9003 6.9003 7.4732 7.4732 8.0039 8.0039 8.0520 8.0520 10.1491 10.1491 10.2657 10.2657 11.7062 11.7062 11.7239 11.7239 13.8956 13.8956 13.9239 13.9239 k = 0.3229 0.5593-0.0000 ( 4285 PWs) bands (ev): -44.9804 -44.9804 -44.9801 -44.9801 -22.7027 -22.7027 -22.6608 -22.6608 -20.7183 -20.7183 -20.6359 -20.6359 -20.5553 -20.5553 -20.5303 -20.5303 -2.4300 -2.4300 -2.3524 -2.3524 -2.1977 -2.1977 -2.1798 -2.1798 4.5534 4.5534 4.5754 4.5754 5.2300 5.2300 5.5457 5.5457 5.6508 5.6508 5.8199 5.8199 6.3305 6.3305 6.4401 6.4401 6.8939 6.8939 7.4664 7.4664 7.9897 7.9897 8.0802 8.0802 10.1377 10.1377 10.2532 10.2532 11.7218 11.7218 11.7409 11.7409 13.8919 13.8919 13.9264 13.9264 k = 0.3177 0.5503-0.0000 ( 4285 PWs) bands (ev): -44.9805 -44.9805 -44.9802 -44.9802 -22.7023 -22.7023 -22.6606 -22.6606 -20.7179 -20.7179 -20.6364 -20.6364 -20.5542 -20.5542 -20.5299 -20.5299 -2.4345 -2.4345 -2.3557 -2.3557 -2.2036 -2.2036 -2.1766 -2.1766 4.5595 4.5595 4.5868 4.5868 5.1855 5.1855 5.4955 5.4955 5.6688 5.6688 5.8955 5.8955 6.3213 6.3213 6.4687 6.4687 6.8831 6.8831 7.4558 7.4558 7.9810 7.9810 8.1122 8.1122 10.1190 10.1190 10.2326 10.2326 11.7470 11.7470 11.7691 11.7691 13.8847 13.8847 13.9275 13.9275 k = 0.3125 0.5413-0.0000 ( 4281 PWs) bands (ev): -44.9806 -44.9806 -44.9803 -44.9803 -22.7018 -22.7018 -22.6605 -22.6605 -20.7172 -20.7172 -20.6371 -20.6371 -20.5527 -20.5527 -20.5293 -20.5293 -2.4410 -2.4410 -2.3606 -2.3606 -2.2102 -2.2102 -2.1738 -2.1738 4.5691 4.5691 4.6019 4.6019 5.1336 5.1336 5.4441 5.4441 5.6963 5.6963 5.9694 5.9694 6.3187 6.3187 6.4989 6.4989 6.8681 6.8681 7.4419 7.4419 7.9779 7.9779 8.1471 8.1471 10.0937 10.0937 10.2048 10.2048 11.7810 11.7810 11.8078 11.8078 13.8726 13.8726 13.9160 13.9160 k = 0.3073 0.5322-0.0000 ( 4275 PWs) bands (ev): -44.9807 -44.9807 -44.9804 -44.9804 -22.7012 -22.7012 -22.6602 -22.6602 -20.7163 -20.7163 -20.6377 -20.6377 -20.5510 -20.5510 -20.5286 -20.5286 -2.4496 -2.4496 -2.3669 -2.3669 -2.2174 -2.2174 -2.1716 -2.1716 4.5823 4.5823 4.6204 4.6204 5.0788 5.0788 5.3927 5.3927 5.7284 5.7284 6.0388 6.0388 6.3243 6.3243 6.5305 6.5305 6.8493 6.8493 7.4253 7.4253 7.9803 7.9803 8.1845 8.1845 10.0627 10.0627 10.1706 10.1706 11.8226 11.8226 11.8559 11.8559 13.8468 13.8468 13.8859 13.8859 k = 0.3021 0.5232-0.0000 ( 4291 PWs) bands (ev): -44.9810 -44.9810 -44.9808 -44.9808 -22.7004 -22.7004 -22.6599 -22.6599 -20.7151 -20.7151 -20.6384 -20.6384 -20.5490 -20.5490 -20.5278 -20.5278 -2.4604 -2.4604 -2.3748 -2.3748 -2.2252 -2.2252 -2.1698 -2.1698 4.5992 4.5992 4.6424 4.6424 5.0239 5.0239 5.3424 5.3424 5.7622 5.7622 6.0998 6.0998 6.3412 6.3412 6.5634 6.5634 6.8273 6.8273 7.4065 7.4065 7.9876 7.9876 8.2239 8.2239 10.0267 10.0267 10.1314 10.1314 11.8705 11.8705 11.9120 11.9120 13.7948 13.7948 13.8630 13.8630 k = 0.2969 0.5142-0.0000 ( 4279 PWs) bands (ev): -44.9811 -44.9811 -44.9810 -44.9810 -22.6994 -22.6994 -22.6595 -22.6595 -20.7137 -20.7137 -20.6390 -20.6390 -20.5467 -20.5467 -20.5269 -20.5269 -2.4733 -2.4733 -2.3843 -2.3843 -2.2336 -2.2336 -2.1685 -2.1685 4.6199 4.6199 4.6677 4.6677 4.9704 4.9704 5.2937 5.2937 5.7959 5.7959 6.1476 6.1476 6.3733 6.3733 6.5979 6.5979 6.8026 6.8026 7.3862 7.3862 7.9995 7.9995 8.2650 8.2650 9.9869 9.9869 10.0884 10.0884 11.9234 11.9234 11.9749 11.9749 13.7297 13.7297 13.8442 13.8442 k = 0.2917 0.5052-0.0000 ( 4277 PWs) bands (ev): -44.9814 -44.9814 -44.9813 -44.9813 -22.6983 -22.6983 -22.6590 -22.6590 -20.7120 -20.7120 -20.6396 -20.6396 -20.5443 -20.5443 -20.5258 -20.5258 -2.4884 -2.4884 -2.3954 -2.3954 -2.2427 -2.2427 -2.1676 -2.1676 4.6444 4.6444 4.6963 4.6963 4.9191 4.9191 5.2473 5.2473 5.8283 5.8283 6.1804 6.1804 6.4218 6.4218 6.6340 6.6340 6.7760 6.7760 7.3647 7.3647 8.0153 8.0153 8.3075 8.3075 9.9441 9.9441 10.0427 10.0427 11.9797 11.9797 12.0431 12.0431 13.6600 13.6600 13.8243 13.8243 k = 0.2865 0.4962-0.0000 ( 4285 PWs) bands (ev): -44.9818 -44.9818 -44.9817 -44.9817 -22.6970 -22.6970 -22.6584 -22.6584 -20.7101 -20.7101 -20.6400 -20.6400 -20.5418 -20.5418 -20.5247 -20.5247 -2.5057 -2.5057 -2.4083 -2.4083 -2.2523 -2.2523 -2.1673 -2.1673 4.6726 4.6726 4.7282 4.7282 4.8707 4.8707 5.2034 5.2034 5.8585 5.8585 6.2012 6.2012 6.4824 6.4824 6.6716 6.6716 6.7488 6.7488 7.3425 7.3425 8.0345 8.0345 8.3510 8.3510 9.8990 9.8990 9.9955 9.9955 12.0381 12.0381 12.1154 12.1154 13.5883 13.5883 13.8022 13.8022 k = 0.2812 0.4871-0.0000 ( 4287 PWs) bands (ev): -44.9822 -44.9822 -44.9821 -44.9821 -22.6955 -22.6955 -22.6577 -22.6577 -20.7078 -20.7078 -20.6402 -20.6402 -20.5391 -20.5391 -20.5235 -20.5235 -2.5253 -2.5253 -2.4229 -2.4229 -2.2625 -2.2625 -2.1674 -2.1674 4.7045 4.7045 4.7632 4.7632 4.8255 4.8255 5.1626 5.1626 5.8859 5.8859 6.2150 6.2150 6.5491 6.5491 6.7055 6.7055 6.7277 6.7277 7.3199 7.3199 8.0565 8.0565 8.3953 8.3953 9.8526 9.8526 9.9478 9.9478 12.0969 12.0969 12.1908 12.1908 13.5163 13.5163 13.7775 13.7775 k = 0.2760 0.4781-0.0000 ( 4291 PWs) bands (ev): -44.9826 -44.9826 -44.9826 -44.9826 -22.6939 -22.6939 -22.6569 -22.6569 -20.7053 -20.7053 -20.6402 -20.6402 -20.5364 -20.5364 -20.5222 -20.5222 -2.5470 -2.5470 -2.4393 -2.4393 -2.2732 -2.2732 -2.1680 -2.1680 4.7398 4.7398 4.7829 4.7829 4.8024 4.8024 5.1250 5.1250 5.9101 5.9101 6.2248 6.2248 6.6133 6.6133 6.6954 6.6954 6.7585 6.7585 7.2972 7.2972 8.0807 8.0807 8.4403 8.4403 9.8054 9.8054 9.9003 9.9003 12.1548 12.1548 12.2683 12.2683 13.4451 13.4451 13.7501 13.7501 k = 0.2708 0.4691-0.0000 ( 4287 PWs) bands (ev): -44.9831 -44.9831 -44.9830 -44.9830 -22.6921 -22.6921 -22.6560 -22.6560 -20.7024 -20.7024 -20.6400 -20.6400 -20.5336 -20.5336 -20.5209 -20.5209 -2.5708 -2.5708 -2.4575 -2.4575 -2.2845 -2.2845 -2.1690 -2.1690 4.7441 4.7441 4.7799 4.7799 4.8432 4.8432 5.0910 5.0910 5.9307 5.9307 6.2322 6.2322 6.6375 6.6375 6.7145 6.7145 6.8036 6.8036 7.2748 7.2748 8.1068 8.1068 8.4858 8.4858 9.7581 9.7581 9.8538 9.8538 12.2101 12.2101 12.3469 12.3469 13.3760 13.3760 13.7202 13.7202 k = 0.2656 0.4601-0.0000 ( 4283 PWs) bands (ev): -44.9836 -44.9836 -44.9835 -44.9835 -22.6901 -22.6901 -22.6549 -22.6549 -20.6993 -20.6993 -20.6396 -20.6396 -20.5307 -20.5307 -20.5194 -20.5194 -2.5968 -2.5968 -2.4775 -2.4775 -2.2963 -2.2963 -2.1704 -2.1704 4.7095 4.7095 4.8223 4.8223 4.8875 4.8875 5.0605 5.0605 5.9475 5.9475 6.2382 6.2382 6.6172 6.6172 6.7763 6.7763 6.8533 6.8533 7.2529 7.2529 8.1342 8.1342 8.5315 8.5315 9.7113 9.7113 9.8089 9.8089 12.2615 12.2615 12.4259 12.4259 13.3099 13.3099 13.6879 13.6879 k = 0.2604 0.4511-0.0000 ( 4285 PWs) bands (ev): -44.9842 -44.9842 -44.9841 -44.9841 -22.6879 -22.6879 -22.6537 -22.6537 -20.6958 -20.6958 -20.6389 -20.6389 -20.5278 -20.5278 -20.5180 -20.5180 -2.6249 -2.6249 -2.4993 -2.4993 -2.3085 -2.3085 -2.1723 -2.1723 4.6781 4.6781 4.8684 4.8684 4.9347 4.9347 5.0339 5.0339 5.9605 5.9605 6.2429 6.2429 6.5911 6.5911 6.8407 6.8407 6.9082 6.9082 7.2319 7.2319 8.1626 8.1626 8.5774 8.5774 9.6655 9.6655 9.7659 9.7659 12.3072 12.3072 12.5042 12.5042 13.2480 13.2480 13.6533 13.6533 k = 0.2552 0.4420-0.0000 ( 4283 PWs) bands (ev): -44.9847 -44.9847 -44.9847 -44.9847 -22.6856 -22.6856 -22.6524 -22.6524 -20.6921 -20.6921 -20.6380 -20.6380 -20.5249 -20.5249 -20.5165 -20.5165 -2.6549 -2.6549 -2.5229 -2.5229 -2.3212 -2.3212 -2.1745 -2.1745 4.6502 4.6502 4.9180 4.9180 4.9843 4.9843 5.0116 5.0116 5.9696 5.9696 6.2465 6.2465 6.5649 6.5649 6.9008 6.9008 6.9690 6.9690 7.2121 7.2121 8.1916 8.1916 8.6233 8.6233 9.6214 9.6214 9.7253 9.7253 12.3459 12.3459 12.5813 12.5813 13.1915 13.1915 13.6167 13.6167 k = 0.2500 0.4330-0.0000 ( 4283 PWs) bands (ev): -44.9855 -44.9855 -44.9853 -44.9853 -22.6830 -22.6830 -22.6510 -22.6510 -20.6880 -20.6880 -20.6367 -20.6367 -20.5220 -20.5220 -20.5149 -20.5149 -2.6868 -2.6868 -2.5483 -2.5483 -2.3343 -2.3343 -2.1771 -2.1771 4.6256 4.6256 4.9704 4.9704 4.9922 4.9922 5.0379 5.0379 5.9748 5.9748 6.2489 6.2489 6.5400 6.5400 6.9563 6.9563 7.0341 7.0341 7.1938 7.1938 8.2209 8.2209 8.6691 8.6691 9.5795 9.5795 9.6873 9.6873 12.3762 12.3762 12.6564 12.6564 13.1414 13.1414 13.5782 13.5782 k = 0.2448 0.4240-0.0000 ( 4277 PWs) bands (ev): -44.9861 -44.9861 -44.9860 -44.9860 -22.6804 -22.6804 -22.6494 -22.6494 -20.6837 -20.6837 -20.6352 -20.6352 -20.5190 -20.5190 -20.5134 -20.5134 -2.7206 -2.7206 -2.5755 -2.5755 -2.3477 -2.3477 -2.1801 -2.1801 4.6043 4.6043 4.9766 4.9766 5.0274 5.0274 5.0928 5.0928 5.9765 5.9765 6.2500 6.2500 6.5168 6.5168 7.0082 7.0082 7.1008 7.1008 7.1779 7.1779 8.2503 8.2503 8.7147 8.7147 9.5403 9.5403 9.6521 9.6521 12.3971 12.3971 12.7284 12.7284 13.0985 13.0985 13.5381 13.5381 k = 0.2396 0.4150-0.0000 ( 4277 PWs) bands (ev): -44.9868 -44.9868 -44.9868 -44.9868 -22.6775 -22.6775 -22.6477 -22.6477 -20.6790 -20.6790 -20.6335 -20.6335 -20.5161 -20.5161 -20.5117 -20.5117 -2.7561 -2.7561 -2.6044 -2.6044 -2.3616 -2.3616 -2.1834 -2.1834 4.5861 4.5861 4.9658 4.9658 5.0864 5.0864 5.1502 5.1502 5.9748 5.9748 6.2498 6.2498 6.4958 6.4958 7.0559 7.0559 7.1641 7.1641 7.1693 7.1693 8.2795 8.2795 8.7599 8.7599 9.5042 9.5042 9.6199 9.6199 12.4083 12.4083 12.7963 12.7963 13.0631 13.0631 13.4956 13.4956 k = 0.2344 0.4059-0.0000 ( 4277 PWs) bands (ev): -44.9877 -44.9877 -44.9875 -44.9875 -22.6745 -22.6745 -22.6458 -22.6458 -20.6741 -20.6741 -20.6314 -20.6314 -20.5132 -20.5132 -20.5101 -20.5101 -2.7933 -2.7933 -2.6349 -2.6349 -2.3757 -2.3757 -2.1870 -2.1870 4.5709 4.5709 4.9588 4.9588 5.1486 5.1486 5.2098 5.2098 5.9700 5.9700 6.2479 6.2479 6.4772 6.4772 7.0928 7.0928 7.1661 7.1661 7.2319 7.2319 8.3082 8.3082 8.8048 8.8048 9.4719 9.4719 9.5907 9.5907 12.4101 12.4101 12.8586 12.8586 13.0348 13.0348 13.4334 13.4334 k = 0.2292 0.3969-0.0000 ( 4283 PWs) bands (ev): -44.9885 -44.9885 -44.9885 -44.9885 -22.6714 -22.6714 -22.6439 -22.6439 -20.6689 -20.6689 -20.6291 -20.6291 -20.5102 -20.5102 -20.5084 -20.5084 -2.8320 -2.8320 -2.6670 -2.6670 -2.3901 -2.3901 -2.1909 -2.1909 4.5583 4.5583 4.9556 4.9556 5.2136 5.2136 5.2714 5.2714 5.9626 5.9626 6.2444 6.2444 6.4614 6.4614 7.1052 7.1052 7.1912 7.1912 7.2940 7.2940 8.3362 8.3362 8.8491 8.8491 9.4438 9.4438 9.5648 9.5648 12.4038 12.4038 12.9125 12.9125 13.0126 13.0126 13.3635 13.3635 k = 0.2240 0.3879-0.0000 ( 4287 PWs) bands (ev): -44.9894 -44.9894 -44.9893 -44.9893 -22.6681 -22.6681 -22.6417 -22.6417 -20.6635 -20.6635 -20.6264 -20.6264 -20.5073 -20.5073 -20.5067 -20.5067 -2.8721 -2.8721 -2.7006 -2.7006 -2.4048 -2.4048 -2.1951 -2.1951 4.5482 4.5482 4.9563 4.9563 5.2813 5.2813 5.3346 5.3346 5.9528 5.9528 6.2390 6.2390 6.4487 6.4487 7.1020 7.1020 7.2325 7.2325 7.3528 7.3528 8.3635 8.3635 8.8929 8.8929 9.4203 9.4203 9.5423 9.5423 12.3913 12.3913 12.9529 12.9529 12.9949 12.9949 13.3052 13.3052 k = 0.2188 0.3789-0.0000 ( 4287 PWs) bands (ev): -44.9903 -44.9903 -44.9902 -44.9902 -22.6646 -22.6646 -22.6395 -22.6395 -20.6578 -20.6578 -20.6236 -20.6236 -20.5050 -20.5050 -20.5044 -20.5044 -2.9135 -2.9135 -2.7356 -2.7356 -2.4197 -2.4197 -2.1994 -2.1994 4.5403 4.5403 4.9607 4.9607 5.3515 5.3515 5.3994 5.3994 5.9411 5.9411 6.2317 6.2317 6.4393 6.4393 7.0956 7.0956 7.2773 7.2773 7.4080 7.4080 8.3898 8.3898 8.9360 8.9360 9.4019 9.4019 9.5234 9.5234 12.3747 12.3747 12.9682 12.9682 12.9833 12.9833 13.2667 13.2667 k = 0.2135 0.3699-0.0000 ( 4283 PWs) bands (ev): -44.9913 -44.9913 -44.9911 -44.9911 -22.6611 -22.6611 -22.6372 -22.6372 -20.6519 -20.6519 -20.6204 -20.6204 -20.5032 -20.5032 -20.5015 -20.5015 -2.9562 -2.9562 -2.7720 -2.7720 -2.4348 -2.4348 -2.2040 -2.2040 4.5341 4.5341 4.9687 4.9687 5.4240 5.4240 5.4654 5.4654 5.9281 5.9281 6.2225 6.2225 6.4335 6.4335 7.0898 7.0898 7.3216 7.3216 7.4588 7.4588 8.4149 8.4149 8.9784 8.9784 9.3888 9.3888 9.5082 9.5082 12.3562 12.3562 12.9521 12.9521 12.9761 12.9761 13.2495 13.2495 k = 0.2083 0.3608-0.0000 ( 4287 PWs) bands (ev): -44.9923 -44.9923 -44.9921 -44.9921 -22.6574 -22.6574 -22.6347 -22.6347 -20.6458 -20.6458 -20.6171 -20.6171 -20.5014 -20.5014 -20.4986 -20.4986 -2.9999 -2.9999 -2.8095 -2.8095 -2.4501 -2.4501 -2.2088 -2.2088 4.5294 4.5294 4.9803 4.9803 5.4984 5.4984 5.5326 5.5326 5.9144 5.9144 6.2113 6.2113 6.4317 6.4317 7.0854 7.0854 7.3639 7.3639 7.5049 7.5049 8.4388 8.4388 9.0200 9.0200 9.3815 9.3815 9.4970 9.4970 12.3374 12.3374 12.9206 12.9206 12.9615 12.9615 13.2268 13.2268 k = 0.2031 0.3518-0.0000 ( 4287 PWs) bands (ev): -44.9933 -44.9933 -44.9931 -44.9931 -22.6536 -22.6536 -22.6321 -22.6321 -20.6395 -20.6395 -20.6134 -20.6134 -20.4995 -20.4995 -20.4956 -20.4956 -3.0445 -3.0445 -2.8482 -2.8482 -2.4654 -2.4654 -2.2138 -2.2138 4.5257 4.5257 4.9951 4.9951 5.5738 5.5738 5.6011 5.6011 5.9004 5.9004 6.1980 6.1980 6.4342 6.4342 7.0830 7.0830 7.4034 7.4034 7.5459 7.5459 8.4613 8.4613 9.0608 9.0608 9.3803 9.3803 9.4901 9.4901 12.3198 12.3198 12.8785 12.8785 12.9455 12.9455 13.1896 13.1896 k = 0.1979 0.3428-0.0000 ( 4291 PWs) bands (ev): -44.9944 -44.9944 -44.9942 -44.9942 -22.6497 -22.6497 -22.6294 -22.6294 -20.6331 -20.6331 -20.6096 -20.6096 -20.4976 -20.4976 -20.4927 -20.4927 -3.0900 -3.0900 -2.8880 -2.8880 -2.4809 -2.4809 -2.2189 -2.2189 4.5226 4.5226 5.0131 5.0131 5.6483 5.6483 5.6722 5.6722 5.8868 5.8868 6.1829 6.1829 6.4414 6.4414 7.0828 7.0828 7.4393 7.4393 7.5813 7.5813 8.4824 8.4824 9.1008 9.1008 9.3852 9.3852 9.4876 9.4876 12.3044 12.3044 12.8330 12.8330 12.9291 12.9291 13.1497 13.1497 k = 0.1927 0.3338-0.0000 ( 4287 PWs) bands (ev): -44.9954 -44.9954 -44.9952 -44.9952 -22.6458 -22.6458 -22.6266 -22.6266 -20.6265 -20.6265 -20.6056 -20.6056 -20.4956 -20.4956 -20.4897 -20.4897 -3.1362 -3.1362 -2.9286 -2.9286 -2.4964 -2.4964 -2.2241 -2.2241 4.5195 4.5195 5.0340 5.0340 5.7191 5.7191 5.7479 5.7479 5.8745 5.8745 6.1661 6.1661 6.4538 6.4538 7.0848 7.0848 7.4711 7.4711 7.6108 7.6108 8.5019 8.5019 9.1399 9.1399 9.3965 9.3965 9.4900 9.4900 12.2919 12.2919 12.7888 12.7888 12.9118 12.9118 13.1097 13.1097 k = 0.1875 0.3248-0.0000 ( 4283 PWs) bands (ev): -44.9964 -44.9964 -44.9964 -44.9964 -22.6417 -22.6417 -22.6238 -22.6238 -20.6198 -20.6198 -20.6014 -20.6014 -20.4935 -20.4935 -20.4868 -20.4868 -3.1829 -3.1829 -2.9700 -2.9700 -2.5119 -2.5119 -2.2295 -2.2295 4.5161 4.5161 5.0576 5.0576 5.7854 5.7854 5.8271 5.8271 5.8651 5.8651 6.1477 6.1477 6.4718 6.4718 7.0893 7.0893 7.4984 7.4984 7.6344 7.6344 8.5198 8.5198 9.1781 9.1781 9.4140 9.4140 9.4974 9.4974 12.2827 12.2827 12.7482 12.7482 12.8934 12.8934 13.0703 13.0703 k = 0.1823 0.3157-0.0000 ( 4275 PWs) bands (ev): -44.9975 -44.9975 -44.9975 -44.9975 -22.6376 -22.6376 -22.6208 -22.6208 -20.6130 -20.6130 -20.5971 -20.5971 -20.4913 -20.4913 -20.4837 -20.4837 -3.2301 -3.2301 -3.0121 -3.0121 -2.5274 -2.5274 -2.2349 -2.2349 4.5117 4.5117 5.0835 5.0835 5.8452 5.8452 5.8567 5.8567 5.9136 5.9136 6.1280 6.1280 6.4958 6.4958 7.0963 7.0963 7.5206 7.5206 7.6517 7.6517 8.5359 8.5359 9.2154 9.2154 9.4377 9.4377 9.5102 9.5102 12.2772 12.2772 12.7123 12.7123 12.8741 12.8741 13.0321 13.0321 k = 0.1771 0.3067-0.0000 ( 4275 PWs) bands (ev): -44.9986 -44.9986 -44.9986 -44.9986 -22.6335 -22.6335 -22.6178 -22.6178 -20.6063 -20.6063 -20.5926 -20.5926 -20.4889 -20.4889 -20.4806 -20.4806 -3.2775 -3.2775 -3.0547 -3.0547 -2.5429 -2.5429 -2.2404 -2.2404 4.5059 4.5059 5.1113 5.1113 5.8474 5.8474 5.9097 5.9097 5.9981 5.9981 6.1075 6.1075 6.5262 6.5262 7.1059 7.1059 7.5375 7.5375 7.6630 7.6630 8.5504 8.5504 9.2518 9.2518 9.4672 9.4672 9.5287 9.5287 12.2755 12.2755 12.6819 12.6819 12.8543 12.8543 12.9951 12.9951 k = 0.1719 0.2977-0.0000 ( 4279 PWs) bands (ev): -44.9999 -44.9999 -44.9997 -44.9997 -22.6293 -22.6293 -22.6147 -22.6147 -20.5995 -20.5995 -20.5881 -20.5881 -20.4865 -20.4865 -20.4775 -20.4775 -3.3252 -3.3252 -3.0977 -3.0977 -2.5583 -2.5583 -2.2459 -2.2459 4.4982 4.4982 5.1405 5.1405 5.8456 5.8456 5.9664 5.9664 6.0833 6.0833 6.0878 6.0878 6.5633 6.5633 7.1180 7.1180 7.5490 7.5490 7.6683 7.6683 8.5630 8.5630 9.2873 9.2873 9.5017 9.5017 9.5533 9.5533 12.2775 12.2775 12.6573 12.6573 12.8343 12.8343 12.9597 12.9597 k = 0.1667 0.2887-0.0000 ( 4277 PWs) bands (ev): -45.0010 -45.0010 -45.0009 -45.0009 -22.6251 -22.6251 -22.6116 -22.6116 -20.5928 -20.5928 -20.5834 -20.5834 -20.4838 -20.4838 -20.4742 -20.4742 -3.3729 -3.3729 -3.1410 -3.1410 -2.5736 -2.5736 -2.2515 -2.2515 4.4883 4.4883 5.1707 5.1707 5.8475 5.8475 6.0202 6.0202 6.0657 6.0657 6.1721 6.1721 6.6069 6.6069 7.1328 7.1328 7.5551 7.5551 7.6679 7.6679 8.5739 8.5739 9.3219 9.3219 9.5402 9.5402 9.5848 9.5848 12.2832 12.2832 12.6384 12.6384 12.8147 12.8147 12.9258 12.9258 k = 0.1615 0.2797-0.0000 ( 4255 PWs) bands (ev): -45.0020 -45.0020 -45.0020 -45.0020 -22.6209 -22.6209 -22.6084 -22.6084 -20.5862 -20.5862 -20.5788 -20.5788 -20.4810 -20.4810 -20.4708 -20.4708 -3.4205 -3.4205 -3.1845 -3.1845 -2.5888 -2.5888 -2.2571 -2.2571 4.4759 4.4759 5.2010 5.2010 5.8537 5.8537 6.0458 6.0458 6.0710 6.0710 6.2603 6.2603 6.6567 6.6567 7.1502 7.1502 7.5558 7.5558 7.6621 7.6621 8.5830 8.5830 9.3556 9.3556 9.5810 9.5810 9.6240 9.6240 12.2922 12.2922 12.6254 12.6254 12.7960 12.7960 12.8938 12.8938 k = 0.1562 0.2706-0.0000 ( 4259 PWs) bands (ev): -45.0032 -45.0032 -45.0032 -45.0032 -22.6167 -22.6167 -22.6052 -22.6052 -20.5798 -20.5798 -20.5742 -20.5742 -20.4779 -20.4779 -20.4673 -20.4673 -3.4679 -3.4679 -3.2280 -3.2280 -2.6038 -2.6038 -2.2626 -2.2626 4.4607 4.4607 5.2307 5.2307 5.8646 5.8646 6.0278 6.0278 6.1191 6.1191 6.3490 6.3490 6.7122 6.7122 7.1703 7.1703 7.5514 7.5514 7.6514 7.6514 8.5902 8.5902 9.3882 9.3882 9.6232 9.6232 9.6713 9.6713 12.3044 12.3044 12.6180 12.6180 12.7787 12.7787 12.8636 12.8636 k = 0.1510 0.2616-0.0000 ( 4257 PWs) bands (ev): -45.0044 -45.0044 -45.0043 -45.0043 -22.6125 -22.6125 -22.6020 -22.6020 -20.5736 -20.5736 -20.5696 -20.5696 -20.4746 -20.4746 -20.4637 -20.4637 -3.5150 -3.5150 -3.2715 -3.2715 -2.6186 -2.6186 -2.2682 -2.2682 4.4427 4.4427 5.2588 5.2588 5.8802 5.8802 6.0127 6.0127 6.1650 6.1650 6.4378 6.4378 6.7725 6.7725 7.1930 7.1930 7.5423 7.5423 7.6362 7.6362 8.5956 8.5956 9.4200 9.4200 9.6667 9.6667 9.7257 9.7257 12.3194 12.3194 12.6158 12.6158 12.7633 12.7633 12.8354 12.8354 k = 0.1458 0.2526-0.0000 ( 4261 PWs) bands (ev): -45.0056 -45.0056 -45.0055 -45.0055 -22.6083 -22.6083 -22.5987 -22.5987 -20.5677 -20.5677 -20.5651 -20.5651 -20.4710 -20.4710 -20.4599 -20.4599 -3.5617 -3.5617 -3.3147 -3.3147 -2.6332 -2.6332 -2.2738 -2.2738 4.4220 4.4220 5.2839 5.2839 5.9007 5.9007 6.0017 6.0017 6.2095 6.2095 6.5265 6.5265 6.8369 6.8369 7.2184 7.2184 7.5288 7.5288 7.6171 7.6171 8.5992 8.5992 9.4507 9.4507 9.7119 9.7119 9.7859 9.7859 12.3368 12.3368 12.6186 12.6186 12.7504 12.7504 12.8094 12.8094 k = 0.1406 0.2436-0.0000 ( 4259 PWs) bands (ev): -45.0068 -45.0068 -45.0067 -45.0067 -22.6042 -22.6042 -22.5955 -22.5955 -20.5621 -20.5621 -20.5607 -20.5607 -20.4670 -20.4670 -20.4560 -20.4560 -3.6078 -3.6078 -3.3577 -3.3577 -2.6476 -2.6476 -2.2793 -2.2793 4.3985 4.3985 5.3048 5.3048 5.9259 5.9259 5.9961 5.9961 6.2531 6.2531 6.6147 6.6147 6.9043 6.9043 7.2464 7.2464 7.5116 7.5116 7.5944 7.5944 8.6010 8.6010 9.4805 9.4805 9.7589 9.7589 9.8507 9.8507 12.3561 12.3561 12.6258 12.6258 12.7406 12.7406 12.7858 12.7858 k = 0.1354 0.2345-0.0000 ( 4263 PWs) bands (ev): -45.0080 -45.0080 -45.0080 -45.0080 -22.6002 -22.6002 -22.5923 -22.5923 -20.5568 -20.5568 -20.5565 -20.5565 -20.4628 -20.4628 -20.4519 -20.4519 -3.6533 -3.6533 -3.4002 -3.4002 -2.6617 -2.6617 -2.2847 -2.2847 4.3727 4.3727 5.3204 5.3204 5.9556 5.9556 5.9971 5.9971 6.2964 6.2964 6.7023 6.7023 6.9739 6.9739 7.2770 7.2770 7.4911 7.4911 7.5689 7.5689 8.6010 8.6010 9.5093 9.5093 9.8073 9.8073 9.9193 9.9193 12.3771 12.3771 12.6371 12.6371 12.7343 12.7343 12.7647 12.7647 k = 0.1302 0.2255-0.0000 ( 4247 PWs) bands (ev): -45.0091 -45.0091 -45.0090 -45.0090 -22.5962 -22.5962 -22.5891 -22.5891 -20.5524 -20.5524 -20.5519 -20.5519 -20.4582 -20.4582 -20.4476 -20.4476 -3.6980 -3.6980 -3.4421 -3.4421 -2.6756 -2.6756 -2.2900 -2.2900 4.3446 4.3446 5.3296 5.3296 5.9896 5.9896 6.0059 6.0059 6.3398 6.3398 6.7888 6.7888 7.0450 7.0450 7.3098 7.3098 7.4680 7.4680 7.5408 7.5408 8.5992 8.5992 9.5371 9.5371 9.8567 9.8567 9.9912 9.9912 12.3992 12.3992 12.6519 12.6519 12.7308 12.7308 12.7473 12.7473 k = 0.1250 0.2165-0.0000 ( 4251 PWs) bands (ev): -45.0102 -45.0102 -45.0102 -45.0102 -22.5923 -22.5923 -22.5859 -22.5859 -20.5486 -20.5486 -20.5474 -20.5474 -20.4532 -20.4532 -20.4431 -20.4431 -3.7419 -3.7419 -3.4834 -3.4834 -2.6891 -2.6891 -2.2953 -2.2953 4.3148 4.3148 5.3319 5.3319 6.0227 6.0227 6.0274 6.0274 6.3837 6.3837 6.8739 6.8739 7.1168 7.1168 7.3445 7.3445 7.4432 7.4432 7.5108 7.5108 8.5956 8.5956 9.5640 9.5640 9.9064 9.9064 10.0657 10.0657 12.4223 12.4223 12.6694 12.6694 12.7240 12.7240 12.7404 12.7404 k = 0.1198 0.2075-0.0000 ( 4243 PWs) bands (ev): -45.0113 -45.0113 -45.0113 -45.0113 -22.5884 -22.5884 -22.5828 -22.5828 -20.5449 -20.5449 -20.5433 -20.5433 -20.4480 -20.4480 -20.4384 -20.4384 -3.7848 -3.7848 -3.5240 -3.5240 -2.7023 -2.7023 -2.3005 -2.3005 4.2834 4.2834 5.3276 5.3276 6.0475 6.0475 6.0688 6.0688 6.4284 6.4284 6.9575 6.9575 7.1886 7.1886 7.3775 7.3775 7.4207 7.4207 7.4794 7.4794 8.5903 8.5903 9.5898 9.5898 9.9559 9.9559 10.1425 10.1425 12.4462 12.4462 12.6887 12.6887 12.7124 12.7124 12.7461 12.7461 k = 0.1146 0.1985-0.0000 ( 4247 PWs) bands (ev): -45.0125 -45.0125 -45.0124 -45.0124 -22.5847 -22.5847 -22.5797 -22.5797 -20.5415 -20.5415 -20.5397 -20.5397 -20.4425 -20.4425 -20.4336 -20.4336 -3.8266 -3.8266 -3.5636 -3.5636 -2.7151 -2.7151 -2.3055 -2.3055 4.2509 4.2509 5.3173 5.3173 6.0796 6.0796 6.1132 6.1132 6.4740 6.4740 7.0391 7.0391 7.2599 7.2599 7.3774 7.3774 7.4316 7.4316 7.4474 7.4474 8.5833 8.5833 9.6147 9.6147 10.0046 10.0046 10.2211 10.2211 12.4708 12.4708 12.6982 12.6982 12.7134 12.7134 12.7579 12.7579 k = 0.1094 0.1894-0.0000 ( 4245 PWs) bands (ev): -45.0136 -45.0136 -45.0135 -45.0135 -22.5811 -22.5811 -22.5767 -22.5767 -20.5383 -20.5383 -20.5364 -20.5364 -20.4369 -20.4369 -20.4286 -20.4286 -3.8672 -3.8672 -3.6023 -3.6023 -2.7275 -2.7275 -2.3105 -2.3105 4.2176 4.2176 5.3018 5.3018 6.1180 6.1180 6.1602 6.1602 6.5208 6.5208 7.1184 7.1184 7.3295 7.3295 7.3517 7.3517 7.4132 7.4132 7.4717 7.4717 8.5745 8.5745 9.6385 9.6385 10.0520 10.0520 10.3011 10.3011 12.4964 12.4964 12.6906 12.6906 12.7351 12.7351 12.7740 12.7740 k = 0.1042 0.1804-0.0000 ( 4245 PWs) bands (ev): -45.0147 -45.0147 -45.0146 -45.0146 -22.5776 -22.5776 -22.5738 -22.5738 -20.5354 -20.5354 -20.5334 -20.5334 -20.4310 -20.4310 -20.4235 -20.4235 -3.9066 -3.9066 -3.6398 -3.6398 -2.7395 -2.7395 -2.3153 -2.3153 4.1838 4.1838 5.2823 5.2823 6.1614 6.1614 6.2094 6.2094 6.5687 6.5687 7.1952 7.1952 7.3207 7.3207 7.3798 7.3798 7.4000 7.4000 7.5152 7.5152 8.5640 8.5640 9.6613 9.6613 10.0974 10.0974 10.3822 10.3822 12.5231 12.5231 12.6843 12.6843 12.7589 12.7589 12.7922 12.7922 k = 0.0990 0.1714-0.0000 ( 4253 PWs) bands (ev): -45.0158 -45.0158 -45.0157 -45.0157 -22.5742 -22.5742 -22.5709 -22.5709 -20.5328 -20.5328 -20.5308 -20.5308 -20.4250 -20.4250 -20.4183 -20.4183 -3.9447 -3.9447 -3.6762 -3.6762 -2.7511 -2.7511 -2.3199 -2.3199 4.1499 4.1499 5.2599 5.2599 6.2089 6.2089 6.2604 6.2604 6.6178 6.6178 7.2675 7.2675 7.2918 7.2918 7.3470 7.3470 7.4669 7.4669 7.5609 7.5609 8.5518 8.5518 9.6828 9.6828 10.1405 10.1405 10.4639 10.4639 12.5513 12.5513 12.6804 12.6804 12.7840 12.7840 12.8060 12.8060 k = 0.0938 0.1624-0.0000 ( 4253 PWs) bands (ev): -45.0168 -45.0168 -45.0168 -45.0168 -22.5710 -22.5710 -22.5682 -22.5682 -20.5303 -20.5303 -20.5285 -20.5285 -20.4190 -20.4190 -20.4131 -20.4131 -3.9813 -3.9813 -3.7113 -3.7113 -2.7622 -2.7622 -2.3244 -2.3244 4.1161 4.1161 5.2353 5.2353 6.2593 6.2593 6.3126 6.3126 6.6680 6.6680 7.2589 7.2589 7.3094 7.3094 7.3461 7.3461 7.5319 7.5319 7.6079 7.6079 8.5379 8.5379 9.7031 9.7031 10.1809 10.1809 10.5459 10.5459 12.5812 12.5812 12.6789 12.6789 12.8016 12.8016 12.8109 12.8109 k = 0.0885 0.1534-0.0000 ( 4251 PWs) bands (ev): -45.0177 -45.0177 -45.0177 -45.0177 -22.5679 -22.5679 -22.5655 -22.5655 -20.5281 -20.5281 -20.5264 -20.5264 -20.4130 -20.4130 -20.4079 -20.4079 -4.0164 -4.0164 -3.7451 -3.7451 -2.7728 -2.7728 -2.3287 -2.3287 4.0828 4.0828 5.2095 5.2095 6.3118 6.3118 6.3657 6.3657 6.7192 6.7192 7.2289 7.2289 7.2788 7.2788 7.4130 7.4130 7.5945 7.5945 7.6558 7.6558 8.5223 8.5223 9.7220 9.7220 10.2184 10.2184 10.6277 10.6277 12.6128 12.6128 12.6797 12.6797 12.7859 12.7859 12.8375 12.8375 k = 0.0833 0.1443-0.0000 ( 4255 PWs) bands (ev): -45.0187 -45.0187 -45.0187 -45.0187 -22.5650 -22.5650 -22.5630 -22.5630 -20.5261 -20.5261 -20.5246 -20.5246 -20.4070 -20.4070 -20.4026 -20.4026 -4.0500 -4.0500 -3.7774 -3.7774 -2.7830 -2.7830 -2.3328 -2.3328 4.0502 4.0502 5.1829 5.1829 6.3655 6.3655 6.4192 6.4192 6.7714 6.7714 7.1994 7.1994 7.2472 7.2472 7.4793 7.4793 7.6542 7.6542 7.7040 7.7040 8.5050 8.5050 9.7394 9.7394 10.2527 10.2527 10.7091 10.7091 12.6458 12.6458 12.6825 12.6825 12.7689 12.7689 12.8650 12.8650 k = 0.0781 0.1353-0.0000 ( 4255 PWs) bands (ev): -45.0196 -45.0196 -45.0196 -45.0196 -22.5622 -22.5622 -22.5605 -22.5605 -20.5243 -20.5243 -20.5230 -20.5230 -20.4012 -20.4012 -20.3975 -20.3975 -4.0819 -4.0819 -3.8082 -3.8082 -2.7926 -2.7926 -2.3368 -2.3368 4.0184 4.0184 5.1562 5.1562 6.4197 6.4197 6.4725 6.4725 6.8244 6.8244 7.1707 7.1707 7.2164 7.2164 7.5432 7.5432 7.7110 7.7110 7.7518 7.7518 8.4861 8.4861 9.7552 9.7552 10.2838 10.2838 10.7895 10.7895 12.6776 12.6776 12.6874 12.6874 12.7562 12.7562 12.8926 12.8926 k = 0.0729 0.1263-0.0000 ( 4247 PWs) bands (ev): -45.0204 -45.0204 -45.0204 -45.0204 -22.5596 -22.5596 -22.5582 -22.5582 -20.5227 -20.5227 -20.5216 -20.5216 -20.3955 -20.3955 -20.3924 -20.3924 -4.1120 -4.1120 -3.8373 -3.8373 -2.8017 -2.8017 -2.3405 -2.3405 3.9879 3.9879 5.1298 5.1298 6.4737 6.4737 6.5253 6.5253 6.8778 6.8778 7.1433 7.1433 7.1869 7.1869 7.6047 7.6047 7.7647 7.7647 7.7987 7.7987 8.4656 8.4656 9.7693 9.7693 10.3117 10.3117 10.8686 10.8686 12.6891 12.6891 12.7052 12.7052 12.7566 12.7566 12.9197 12.9197 k = 0.0677 0.1173-0.0000 ( 4247 PWs) bands (ev): -45.0212 -45.0212 -45.0212 -45.0212 -22.5571 -22.5571 -22.5560 -22.5560 -20.5212 -20.5212 -20.5203 -20.5203 -20.3900 -20.3900 -20.3875 -20.3875 -4.1404 -4.1404 -3.8648 -3.8648 -2.8102 -2.8102 -2.3440 -2.3440 3.9586 3.9586 5.1040 5.1040 6.5270 6.5270 6.5771 6.5771 6.9313 6.9313 7.1174 7.1174 7.1588 7.1588 7.6636 7.6636 7.8150 7.8150 7.8440 7.8440 8.4435 8.4435 9.7815 9.7815 10.3364 10.3364 10.9460 10.9460 12.6888 12.6888 12.7162 12.7162 12.7808 12.7808 12.9454 12.9454 k = 0.0625 0.1083-0.0000 ( 4235 PWs) bands (ev): -45.0219 -45.0219 -45.0219 -45.0219 -22.5548 -22.5548 -22.5540 -22.5540 -20.5199 -20.5199 -20.5192 -20.5192 -20.3848 -20.3848 -20.3828 -20.3828 -4.1669 -4.1669 -3.8905 -3.8905 -2.8182 -2.8182 -2.3473 -2.3473 3.9309 3.9309 5.0791 5.0791 6.5791 6.5791 6.6275 6.6275 6.9840 6.9840 7.0939 7.0939 7.1324 7.1324 7.7201 7.7201 7.8618 7.8618 7.8874 7.8874 8.4199 8.4199 9.7918 9.7918 10.3582 10.3582 11.0211 11.0211 12.6829 12.6829 12.7249 12.7249 12.8172 12.8172 12.9656 12.9656 k = 0.0573 0.0992-0.0000 ( 4235 PWs) bands (ev): -45.0226 -45.0226 -45.0226 -45.0226 -22.5527 -22.5527 -22.5521 -22.5521 -20.5188 -20.5188 -20.5182 -20.5182 -20.3798 -20.3798 -20.3783 -20.3783 -4.1916 -4.1916 -3.9144 -3.9144 -2.8256 -2.8256 -2.3504 -2.3504 3.9048 3.9048 5.0555 5.0555 6.6292 6.6292 6.6759 6.6759 7.0300 7.0300 7.0778 7.0778 7.1082 7.1082 7.7739 7.7739 7.9051 7.9051 7.9283 7.9283 8.3950 8.3950 9.8001 9.8001 10.3770 10.3770 11.0935 11.0935 12.6749 12.6749 12.7356 12.7356 12.8568 12.8568 12.9487 12.9487 k = 0.0521 0.0902-0.0000 ( 4247 PWs) bands (ev): -45.0234 -45.0234 -45.0233 -45.0233 -22.5508 -22.5508 -22.5503 -22.5503 -20.5178 -20.5178 -20.5173 -20.5173 -20.3752 -20.3752 -20.3741 -20.3741 -4.2142 -4.2142 -3.9365 -3.9365 -2.8324 -2.8324 -2.3532 -2.3532 3.8806 3.8806 5.0333 5.0333 6.6770 6.6770 6.7219 6.7219 7.0369 7.0369 7.0813 7.0813 7.1068 7.1068 7.8248 7.8248 7.9447 7.9447 7.9663 7.9663 8.3689 8.3689 9.8065 9.8065 10.3932 10.3932 11.1627 11.1627 12.6671 12.6671 12.7476 12.7476 12.8958 12.8958 12.9049 12.9049 k = 0.0469 0.0812-0.0000 ( 4235 PWs) bands (ev): -45.0239 -45.0239 -45.0238 -45.0238 -22.5491 -22.5491 -22.5487 -22.5487 -20.5169 -20.5169 -20.5165 -20.5165 -20.3710 -20.3710 -20.3701 -20.3701 -4.2349 -4.2349 -3.9566 -3.9566 -2.8386 -2.8386 -2.3558 -2.3558 3.8583 3.8583 5.0127 5.0127 6.7220 6.7220 6.7652 6.7652 7.0208 7.0208 7.0619 7.0619 7.1539 7.1539 7.8725 7.8725 7.9808 7.9808 8.0013 8.0013 8.3419 8.3419 9.8109 9.8109 10.4070 10.4070 11.2280 11.2280 12.6601 12.6601 12.7599 12.7599 12.8604 12.8604 12.9355 12.9355 k = 0.0417 0.0722-0.0000 ( 4235 PWs) bands (ev): -45.0245 -45.0245 -45.0243 -45.0243 -22.5475 -22.5475 -22.5472 -22.5472 -20.5162 -20.5162 -20.5159 -20.5159 -20.3671 -20.3671 -20.3665 -20.3665 -4.2535 -4.2535 -3.9747 -3.9747 -2.8442 -2.8442 -2.3581 -2.3581 3.8380 3.8380 4.9939 4.9939 6.7636 6.7636 6.8052 6.8052 7.0038 7.0038 7.0431 7.0431 7.2041 7.2041 7.9166 7.9166 8.0132 8.0132 8.0329 8.0329 8.3145 8.3145 9.8136 9.8136 10.4185 10.4185 11.2891 11.2891 12.6541 12.6541 12.7706 12.7706 12.8227 12.8227 12.9711 12.9711 k = 0.0365 0.0631-0.0000 ( 4231 PWs) bands (ev): -45.0250 -45.0250 -45.0247 -45.0247 -22.5461 -22.5461 -22.5459 -22.5459 -20.5156 -20.5156 -20.5153 -20.5153 -20.3636 -20.3636 -20.3632 -20.3632 -4.2700 -4.2700 -3.9908 -3.9908 -2.8491 -2.8491 -2.3602 -2.3602 3.8200 3.8200 4.9770 4.9770 6.8015 6.8015 6.8415 6.8415 6.9881 6.9881 7.0262 7.0262 7.2530 7.2530 7.9566 7.9566 8.0420 8.0420 8.0610 8.0610 8.2870 8.2870 9.8147 9.8147 10.4281 10.4281 11.3451 11.3451 12.6487 12.6487 12.7702 12.7702 12.8004 12.8004 12.9775 12.9775 k = 0.0312 0.0541-0.0000 ( 4241 PWs) bands (ev): -45.0254 -45.0254 -45.0252 -45.0252 -22.5449 -22.5449 -22.5448 -22.5448 -20.5151 -20.5151 -20.5148 -20.5148 -20.3606 -20.3606 -20.3603 -20.3603 -4.2843 -4.2843 -4.0048 -4.0048 -2.8535 -2.8535 -2.3620 -2.3620 3.8041 3.8041 4.9622 4.9622 6.8353 6.8353 6.8738 6.8738 6.9743 6.9743 7.0115 7.0115 7.2993 7.2993 7.9918 7.9918 8.0670 8.0670 8.0855 8.0855 8.2604 8.2604 9.8146 9.8146 10.4360 10.4360 11.3955 11.3955 12.6436 12.6436 12.7484 12.7484 12.8033 12.8033 12.9488 12.9488 k = 0.0260 0.0451-0.0000 ( 4237 PWs) bands (ev): -45.0258 -45.0258 -45.0255 -45.0255 -22.5439 -22.5439 -22.5438 -22.5438 -20.5146 -20.5146 -20.5144 -20.5144 -20.3580 -20.3580 -20.3578 -20.3578 -4.2966 -4.2966 -4.0168 -4.0168 -2.8571 -2.8571 -2.3636 -2.3636 3.7906 3.7906 4.9494 4.9494 6.8644 6.8644 6.9016 6.9016 6.9625 6.9625 6.9990 6.9990 7.3421 7.3421 8.0219 8.0219 8.0878 8.0878 8.1064 8.1064 8.2357 8.2357 9.8135 9.8135 10.4423 10.4423 11.4396 11.4396 12.6384 12.6384 12.7260 12.7260 12.8107 12.8107 12.9243 12.9243 k = 0.0208 0.0361-0.0000 ( 4233 PWs) bands (ev): -45.0260 -45.0260 -45.0258 -45.0258 -22.5431 -22.5431 -22.5430 -22.5430 -20.5143 -20.5143 -20.5140 -20.5140 -20.3558 -20.3558 -20.3558 -20.3558 -4.3066 -4.3066 -4.0266 -4.0266 -2.8601 -2.8601 -2.3648 -2.3648 3.7794 3.7794 4.9389 4.9389 6.8886 6.8886 6.9245 6.9245 6.9529 6.9529 6.9890 6.9890 7.3801 7.3801 8.0465 8.0465 8.1036 8.1036 8.1240 8.1240 8.2145 8.2145 9.8120 9.8120 10.4472 10.4472 11.4768 11.4768 12.6328 12.6328 12.7085 12.7085 12.8161 12.8161 12.9060 12.9060 k = 0.0156 0.0271-0.0000 ( 4225 PWs) bands (ev): -45.0262 -45.0262 -45.0260 -45.0260 -22.5424 -22.5424 -22.5423 -22.5423 -20.5140 -20.5140 -20.5138 -20.5138 -20.3541 -20.3541 -20.3541 -20.3541 -4.3144 -4.3144 -4.0342 -4.0342 -2.8625 -2.8625 -2.3658 -2.3658 3.7707 3.7707 4.9306 4.9306 6.9074 6.9074 6.9415 6.9415 6.9464 6.9464 6.9818 6.9818 7.4120 7.4120 8.0653 8.0653 8.1132 8.1132 8.1384 8.1384 8.1986 8.1986 9.8102 9.8102 10.4508 10.4508 11.5065 11.5065 12.6268 12.6268 12.6964 12.6964 12.8184 12.8184 12.8942 12.8942 k = 0.0104 0.0180-0.0000 ( 4217 PWs) bands (ev): -45.0263 -45.0263 -45.0261 -45.0261 -22.5420 -22.5420 -22.5419 -22.5419 -20.5138 -20.5138 -20.5136 -20.5136 -20.3529 -20.3529 -20.3529 -20.3529 -4.3200 -4.3200 -4.0397 -4.0397 -2.8641 -2.8641 -2.3665 -2.3665 3.7644 3.7644 4.9247 4.9247 6.9200 6.9200 6.9412 6.9412 6.9540 6.9540 6.9778 6.9778 7.4362 7.4362 8.0786 8.0786 8.1165 8.1165 8.1493 8.1493 8.1893 8.1893 9.8087 9.8087 10.4533 10.4533 11.5281 11.5281 12.6214 12.6214 12.6889 12.6889 12.8179 12.8179 12.8880 12.8880 k = 0.0052 0.0090-0.0000 ( 4209 PWs) bands (ev): -45.0263 -45.0263 -45.0262 -45.0262 -22.5417 -22.5417 -22.5416 -22.5416 -20.5137 -20.5137 -20.5135 -20.5135 -20.3522 -20.3522 -20.3522 -20.3522 -4.3234 -4.3234 -4.0430 -4.0430 -2.8651 -2.8651 -2.3669 -2.3669 3.7607 3.7607 4.9211 4.9211 6.9259 6.9259 6.9406 6.9406 6.9589 6.9589 6.9774 6.9774 7.4514 7.4514 8.0865 8.0865 8.1159 8.1159 8.1563 8.1563 8.1854 8.1854 9.8077 9.8077 10.4548 10.4548 11.5413 11.5413 12.6177 12.6177 12.6850 12.6850 12.8166 12.8166 12.8856 12.8856 k = 0.0000 0.0000 0.0000 ( 4201 PWs) bands (ev): -45.0262 -45.0262 -45.0262 -45.0262 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5134 -20.5134 -20.3520 -20.3520 -20.3520 -20.3520 -4.3245 -4.3245 -4.0441 -4.0441 -2.8655 -2.8655 -2.3671 -2.3671 3.7594 3.7594 4.9200 4.9200 6.9271 6.9271 6.9412 6.9412 6.9599 6.9599 6.9780 6.9780 7.4566 7.4566 8.0891 8.0891 8.1152 8.1152 8.1587 8.1587 8.1845 8.1845 9.8073 9.8073 10.4553 10.4553 11.5457 11.5457 12.6163 12.6163 12.6838 12.6838 12.8159 12.8159 12.8850 12.8850 k = 0.0000 0.0000 0.0000 ( 4201 PWs) bands (ev): -45.0262 -45.0262 -45.0262 -45.0262 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5134 -20.5134 -20.3520 -20.3520 -20.3520 -20.3520 -4.3245 -4.3245 -4.0441 -4.0441 -2.8655 -2.8655 -2.3671 -2.3671 3.7594 3.7594 4.9200 4.9200 6.9271 6.9271 6.9412 6.9412 6.9599 6.9599 6.9780 6.9780 7.4566 7.4566 8.0891 8.0891 8.1152 8.1152 8.1587 8.1587 8.1845 8.1845 9.8073 9.8073 10.4553 10.4553 11.5457 11.5457 12.6163 12.6163 12.6838 12.6838 12.8159 12.8159 12.8850 12.8850 k = 0.0000 0.0000 0.0099 ( 4213 PWs) bands (ev): -45.0264 -45.0264 -45.0262 -45.0262 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5134 -20.5134 -20.3520 -20.3520 -20.3520 -20.3520 -4.3238 -4.3238 -4.0453 -4.0453 -2.8636 -2.8636 -2.3685 -2.3685 3.7622 3.7622 4.9145 4.9145 6.9272 6.9272 6.9413 6.9413 6.9597 6.9597 6.9778 6.9778 7.4639 7.4639 8.0892 8.0892 8.1151 8.1151 8.1588 8.1588 8.1844 8.1844 9.7900 9.7900 10.4695 10.4695 11.5442 11.5442 12.6168 12.6168 12.6842 12.6842 12.8149 12.8149 12.8838 12.8838 k = 0.0000 0.0000 0.0199 ( 4225 PWs) bands (ev): -45.0266 -45.0266 -45.0263 -45.0263 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5134 -20.5134 -20.3520 -20.3520 -20.3520 -20.3520 -4.3217 -4.3217 -4.0489 -4.0489 -2.8582 -2.8582 -2.3728 -2.3728 3.7706 3.7706 4.8984 4.8984 6.9274 6.9274 6.9418 6.9418 6.9594 6.9594 6.9775 6.9775 7.4854 7.4854 8.0894 8.0894 8.1149 8.1149 8.1590 8.1590 8.1842 8.1842 9.7421 9.7421 10.5082 10.5082 11.5396 11.5396 12.6181 12.6181 12.6854 12.6854 12.8118 12.8118 12.8803 12.8803 k = 0.0000 0.0000 0.0298 ( 4225 PWs) bands (ev): -45.0266 -45.0266 -45.0263 -45.0263 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5134 -20.5134 -20.3520 -20.3520 -20.3520 -20.3520 -4.3183 -4.3183 -4.0547 -4.0547 -2.8492 -2.8492 -2.3799 -2.3799 3.7846 3.7846 4.8724 4.8724 6.9279 6.9279 6.9425 6.9425 6.9589 6.9589 6.9769 6.9769 7.5205 7.5205 8.0898 8.0898 8.1145 8.1145 8.1594 8.1594 8.1838 8.1838 9.6718 9.6718 10.5631 10.5631 11.5321 11.5321 12.6203 12.6203 12.6875 12.6875 12.8070 12.8070 12.8747 12.8747 k = 0.0000 0.0000 0.0398 ( 4237 PWs) bands (ev): -45.0266 -45.0266 -45.0264 -45.0264 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.3136 -4.3136 -4.0626 -4.0626 -2.8370 -2.8370 -2.3896 -2.3896 3.8039 3.8039 4.8372 4.8372 6.9286 6.9286 6.9434 6.9434 6.9581 6.9581 6.9761 6.9761 7.5684 7.5684 8.0904 8.0904 8.1140 8.1140 8.1600 8.1600 8.1832 8.1832 9.5866 9.5866 10.6270 10.6270 11.5214 11.5214 12.6233 12.6233 12.6903 12.6903 12.8005 12.8005 12.8673 12.8673 k = 0.0000 0.0000 0.0497 ( 4237 PWs) bands (ev): -45.0266 -45.0266 -45.0264 -45.0264 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.3075 -4.3075 -4.0724 -4.0724 -2.8217 -2.8217 -2.4021 -2.4021 3.8286 3.8286 4.7942 4.7942 6.9295 6.9295 6.9446 6.9446 6.9572 6.9572 6.9752 6.9752 7.6279 7.6279 8.0911 8.0911 8.1133 8.1133 8.1607 8.1607 8.1826 8.1826 9.4914 9.4914 10.6950 10.6950 11.5077 11.5077 12.6272 12.6272 12.6940 12.6940 12.7926 12.7926 12.8586 12.8586 k = 0.0000 0.0000 0.0597 ( 4219 PWs) bands (ev): -45.0266 -45.0266 -45.0262 -45.0262 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5134 -20.5134 -20.3520 -20.3520 -20.3520 -20.3520 -4.3002 -4.3002 -4.0838 -4.0838 -2.8036 -2.8036 -2.4169 -2.4169 3.8585 3.8585 4.7447 4.7447 6.9305 6.9305 6.9459 6.9459 6.9561 6.9561 6.9740 6.9740 7.6976 7.6976 8.0920 8.0920 8.1126 8.1126 8.1616 8.1616 8.1818 8.1818 9.3895 9.3895 10.7641 10.7641 11.4908 11.4908 12.6320 12.6320 12.6985 12.6985 12.7835 12.7835 12.8488 12.8488 k = 0.0000 0.0000 0.0696 ( 4226 PWs) bands (ev): -45.0266 -45.0266 -45.0262 -45.0262 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.2916 -4.2916 -4.0966 -4.0966 -2.7831 -2.7831 -2.4341 -2.4341 3.8933 3.8933 4.6898 4.6898 6.9317 6.9317 6.9473 6.9473 6.9549 6.9549 6.9727 6.9727 7.7763 7.7763 8.0930 8.0930 8.1117 8.1117 8.1626 8.1626 8.1809 8.1809 9.2828 9.2828 10.8325 10.8325 11.4707 11.4707 12.6376 12.6376 12.7038 12.7038 12.7736 12.7736 12.8382 12.8382 k = 0.0000 0.0000 0.0795 ( 4226 PWs) bands (ev): -45.0266 -45.0266 -45.0262 -45.0262 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.2819 -4.2819 -4.1105 -4.1105 -2.7606 -2.7606 -2.4535 -2.4535 3.9328 3.9328 4.6309 4.6309 6.9331 6.9331 6.9489 6.9489 6.9535 6.9535 6.9712 6.9712 7.8627 7.8627 8.0941 8.0941 8.1108 8.1108 8.1637 8.1637 8.1798 8.1798 9.1727 9.1727 10.8992 10.8992 11.4474 11.4474 12.6440 12.6440 12.7098 12.7098 12.7631 12.7631 12.8272 12.8272 k = 0.0000 0.0000 0.0895 ( 4232 PWs) bands (ev): -45.0266 -45.0266 -45.0263 -45.0263 -22.5416 -22.5416 -22.5415 -22.5415 -20.5137 -20.5137 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.2710 -4.2710 -4.1253 -4.1253 -2.7363 -2.7363 -2.4748 -2.4748 3.9766 3.9766 4.5691 4.5691 6.9345 6.9345 6.9506 6.9506 6.9520 6.9520 6.9696 6.9696 7.9556 7.9556 8.0953 8.0953 8.1099 8.1099 8.1649 8.1649 8.1787 8.1787 9.0602 9.0602 10.9633 10.9633 11.4208 11.4208 12.6511 12.6511 12.7166 12.7166 12.7521 12.7521 12.8158 12.8158 k = 0.0000 0.0000 0.0994 ( 4226 PWs) bands (ev): -45.0265 -45.0265 -45.0263 -45.0263 -22.5416 -22.5416 -22.5415 -22.5415 -20.5136 -20.5136 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.2592 -4.2592 -4.1407 -4.1407 -2.7107 -2.7107 -2.4978 -2.4978 4.0246 4.0246 4.5056 4.5056 6.9361 6.9361 6.9503 6.9503 6.9524 6.9524 6.9678 6.9678 8.0530 8.0530 8.0966 8.0966 8.1100 8.1100 8.1662 8.1662 8.1774 8.1774 8.9462 8.9462 11.0246 11.0246 11.3908 11.3908 12.6590 12.6590 12.7241 12.7241 12.7409 12.7409 12.8044 12.8044 k = 0.0000 0.0000 0.1094 ( 4226 PWs) bands (ev): -45.0265 -45.0265 -45.0263 -45.0263 -22.5416 -22.5416 -22.5415 -22.5415 -20.5136 -20.5136 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.2463 -4.2463 -4.1563 -4.1563 -2.6840 -2.6840 -2.5222 -2.5222 4.0764 4.0764 4.4411 4.4411 6.9378 6.9378 6.9486 6.9486 6.9543 6.9543 6.9660 6.9660 8.0980 8.0980 8.1046 8.1046 8.1603 8.1603 8.1676 8.1676 8.1761 8.1761 8.8314 8.8314 11.0827 11.0827 11.3574 11.3574 12.6676 12.6676 12.7296 12.7296 12.7323 12.7323 12.7930 12.7930 k = 0.0000 0.0000 0.1193 ( 4208 PWs) bands (ev): -45.0264 -45.0264 -45.0261 -45.0261 -22.5416 -22.5416 -22.5415 -22.5415 -20.5136 -20.5136 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.2327 -4.2327 -4.1721 -4.1721 -2.6568 -2.6568 -2.5478 -2.5478 4.1316 4.1316 4.3765 4.3765 6.9396 6.9396 6.9468 6.9468 6.9562 6.9562 6.9641 6.9641 8.0994 8.0994 8.1046 8.1046 8.1690 8.1690 8.1748 8.1748 8.2660 8.2660 8.7163 8.7163 11.1374 11.1374 11.3205 11.3205 12.6768 12.6768 12.7184 12.7184 12.7411 12.7411 12.7818 12.7818 k = 0.0000 0.0000 0.1293 ( 4214 PWs) bands (ev): -45.0264 -45.0264 -45.0262 -45.0262 -22.5416 -22.5416 -22.5415 -22.5415 -20.5136 -20.5136 -20.5135 -20.5135 -20.3520 -20.3520 -20.3520 -20.3520 -4.2183 -4.2183 -4.1879 -4.1879 -2.6292 -2.6292 -2.5744 -2.5744 4.1896 4.1896 4.3127 4.3127 6.9414 6.9414 6.9450 6.9450 6.9582 6.9582 6.9621 6.9621 8.1008 8.1008 8.1035 8.1035 8.1705 8.1705 8.1734 8.1734 8.3757 8.3757 8.6015 8.6015 11.1885 11.1885 11.2801 11.2801 12.6865 12.6865 12.7074 12.7074 12.7505 12.7505 12.7710 12.7710 k = 0.0000 0.0000 0.1392 ( 4202 PWs) bands (ev): -45.0262 -45.0262 -45.0262 -45.0262 -22.5415 -22.5415 -22.5415 -22.5415 -20.5136 -20.5136 -20.5136 -20.5136 -20.3520 -20.3520 -20.3520 -20.3520 -4.2033 -4.2033 -4.2033 -4.2033 -2.6016 -2.6016 -2.6016 -2.6016 4.2502 4.2502 4.2502 4.2502 6.9432 6.9432 6.9432 6.9432 6.9602 6.9602 6.9602 6.9602 8.1022 8.1022 8.1022 8.1022 8.1719 8.1719 8.1719 8.1719 8.4878 8.4878 8.4878 8.4878 11.2361 11.2361 11.2361 11.2361 12.6967 12.6967 12.6967 12.6967 12.7605 12.7605 12.7605 12.7605 k = 0.0000 0.0000 0.1392 ( 4202 PWs) bands (ev): -45.0262 -45.0262 -45.0262 -45.0262 -22.5415 -22.5415 -22.5415 -22.5415 -20.5136 -20.5136 -20.5136 -20.5136 -20.3520 -20.3520 -20.3520 -20.3520 -4.2033 -4.2033 -4.2033 -4.2033 -2.6016 -2.6016 -2.6016 -2.6016 4.2502 4.2502 4.2502 4.2502 6.9432 6.9432 6.9432 6.9432 6.9602 6.9602 6.9602 6.9602 8.1022 8.1022 8.1022 8.1022 8.1719 8.1719 8.1719 8.1719 8.4878 8.4878 8.4878 8.4878 11.2361 11.2361 11.2361 11.2361 12.6967 12.6967 12.6967 12.6967 12.7605 12.7605 12.7605 12.7605 k = 0.0091 0.0052 0.1392 ( 4212 PWs) bands (ev): -45.0263 -45.0263 -45.0263 -45.0263 -22.5416 -22.5416 -22.5416 -22.5416 -20.5136 -20.5136 -20.5136 -20.5136 -20.3522 -20.3522 -20.3522 -20.3522 -4.2022 -4.2022 -4.2022 -4.2022 -2.6014 -2.6014 -2.6014 -2.6014 4.2514 4.2514 4.2514 4.2514 6.9421 6.9421 6.9421 6.9421 6.9596 6.9596 6.9596 6.9596 8.0964 8.0964 8.0964 8.0964 8.1658 8.1658 8.1658 8.1658 8.4960 8.4960 8.4960 8.4960 11.2331 11.2331 11.2331 11.2331 12.6979 12.6979 12.6979 12.6979 12.7617 12.7617 12.7617 12.7617 k = 0.0182 0.0105 0.1392 ( 4208 PWs) bands (ev): -45.0261 -45.0261 -45.0261 -45.0261 -22.5419 -22.5419 -22.5419 -22.5419 -20.5137 -20.5137 -20.5137 -20.5137 -20.3530 -20.3530 -20.3530 -20.3530 -4.1988 -4.1988 -4.1988 -4.1988 -2.6006 -2.6006 -2.6006 -2.6006 4.2549 4.2549 4.2549 4.2549 6.9367 6.9367 6.9367 6.9367 6.9601 6.9601 6.9601 6.9601 8.0782 8.0782 8.0782 8.0782 8.1512 8.1512 8.1512 8.1512 8.5180 8.5180 8.5180 8.5180 11.2241 11.2241 11.2241 11.2241 12.7013 12.7013 12.7013 12.7013 12.7657 12.7657 12.7657 12.7657 k = 0.0273 0.0157 0.1392 ( 4210 PWs) bands (ev): -45.0260 -45.0260 -45.0260 -45.0260 -22.5424 -22.5424 -22.5424 -22.5424 -20.5139 -20.5139 -20.5139 -20.5139 -20.3542 -20.3542 -20.3542 -20.3542 -4.1932 -4.1932 -4.1932 -4.1932 -2.5994 -2.5994 -2.5994 -2.5994 4.2606 4.2606 4.2606 4.2606 6.9245 6.9245 6.9245 6.9245 6.9641 6.9641 6.9641 6.9641 8.0465 8.0465 8.0465 8.0465 8.1338 8.1338 8.1338 8.1338 8.5489 8.5489 8.5489 8.5489 11.2092 11.2092 11.2092 11.2092 12.7058 12.7058 12.7058 12.7058 12.7730 12.7730 12.7730 12.7730 k = 0.0364 0.0210 0.1392 ( 4214 PWs) bands (ev): -45.0258 -45.0258 -45.0258 -45.0258 -22.5430 -22.5430 -22.5430 -22.5430 -20.5142 -20.5142 -20.5142 -20.5142 -20.3558 -20.3558 -20.3558 -20.3558 -4.1854 -4.1854 -4.1854 -4.1854 -2.5976 -2.5976 -2.5976 -2.5976 4.2687 4.2687 4.2687 4.2687 6.9061 6.9061 6.9061 6.9061 6.9714 6.9714 6.9714 6.9714 8.0038 8.0038 8.0038 8.0038 8.1156 8.1156 8.1156 8.1156 8.5843 8.5843 8.5843 8.5843 11.1885 11.1885 11.1885 11.1885 12.7103 12.7103 12.7103 12.7103 12.7846 12.7846 12.7846 12.7846 k = 0.0455 0.0262 0.1392 ( 4216 PWs) bands (ev): -45.0255 -45.0255 -45.0255 -45.0255 -22.5439 -22.5439 -22.5439 -22.5439 -20.5145 -20.5145 -20.5145 -20.5145 -20.3580 -20.3580 -20.3580 -20.3580 -4.1753 -4.1753 -4.1753 -4.1753 -2.5953 -2.5953 -2.5953 -2.5953 4.2790 4.2790 4.2790 4.2790 6.8821 6.8821 6.8821 6.8821 6.9814 6.9814 6.9814 6.9814 7.9539 7.9539 7.9539 7.9539 8.0959 8.0959 8.0959 8.0959 8.6214 8.6214 8.6214 8.6214 11.1623 11.1623 11.1623 11.1623 12.7138 12.7138 12.7138 12.7138 12.8010 12.8010 12.8010 12.8010 k = 0.0545 0.0315 0.1392 ( 4224 PWs) bands (ev): -45.0252 -45.0252 -45.0252 -45.0252 -22.5449 -22.5449 -22.5449 -22.5449 -20.5149 -20.5149 -20.5149 -20.5149 -20.3606 -20.3606 -20.3606 -20.3606 -4.1631 -4.1631 -4.1631 -4.1631 -2.5926 -2.5926 -2.5926 -2.5926 4.2915 4.2915 4.2915 4.2915 6.8530 6.8530 6.8530 6.8530 6.9938 6.9938 6.9938 6.9938 7.8992 7.8992 7.8992 7.8992 8.0739 8.0739 8.0739 8.0739 8.6583 8.6583 8.6583 8.6583 11.1308 11.1308 11.1308 11.1308 12.7157 12.7157 12.7157 12.7157 12.8219 12.8219 12.8219 12.8219 k = 0.0636 0.0367 0.1392 ( 4230 PWs) bands (ev): -45.0248 -45.0248 -45.0248 -45.0248 -22.5461 -22.5461 -22.5461 -22.5461 -20.5155 -20.5155 -20.5155 -20.5155 -20.3636 -20.3636 -20.3636 -20.3636 -4.1487 -4.1487 -4.1487 -4.1487 -2.5893 -2.5893 -2.5893 -2.5893 4.3061 4.3061 4.3061 4.3061 6.8194 6.8194 6.8194 6.8194 7.0085 7.0085 7.0085 7.0085 7.8415 7.8415 7.8415 7.8415 8.0492 8.0492 8.0492 8.0492 8.6941 8.6941 8.6941 8.6941 11.0942 11.0942 11.0942 11.0942 12.7158 12.7158 12.7158 12.7158 12.8465 12.8465 12.8465 12.8465 k = 0.0727 0.0420 0.1392 ( 4230 PWs) bands (ev): -45.0243 -45.0243 -45.0243 -45.0243 -22.5474 -22.5474 -22.5474 -22.5474 -20.5161 -20.5161 -20.5161 -20.5161 -20.3670 -20.3670 -20.3670 -20.3670 -4.1322 -4.1322 -4.1322 -4.1322 -2.5856 -2.5856 -2.5856 -2.5856 4.3227 4.3227 4.3227 4.3227 6.7815 6.7815 6.7815 6.7815 7.0255 7.0255 7.0255 7.0255 7.7815 7.7815 7.7815 7.7815 8.0219 8.0219 8.0219 8.0219 8.7277 8.7277 8.7277 8.7277 11.0528 11.0528 11.0528 11.0528 12.7142 12.7142 12.7142 12.7142 12.8733 12.8733 12.8733 12.8733 k = 0.0818 0.0472 0.1392 ( 4226 PWs) bands (ev): -45.0237 -45.0237 -45.0237 -45.0237 -22.5490 -22.5490 -22.5490 -22.5490 -20.5168 -20.5168 -20.5168 -20.5168 -20.3708 -20.3708 -20.3708 -20.3708 -4.1137 -4.1137 -4.1137 -4.1137 -2.5815 -2.5815 -2.5815 -2.5815 4.3412 4.3412 4.3412 4.3412 6.7398 6.7398 6.7398 6.7398 7.0445 7.0445 7.0445 7.0445 7.7200 7.7200 7.7200 7.7200 7.9919 7.9919 7.9919 7.9919 8.7588 8.7588 8.7588 8.7588 11.0070 11.0070 11.0070 11.0070 12.7108 12.7108 12.7108 12.7108 12.8999 12.8999 12.8999 12.8999 k = 0.0909 0.0525 0.1392 ( 4232 PWs) bands (ev): -45.0232 -45.0232 -45.0232 -45.0232 -22.5507 -22.5507 -22.5507 -22.5507 -20.5176 -20.5176 -20.5176 -20.5176 -20.3750 -20.3750 -20.3750 -20.3750 -4.0930 -4.0930 -4.0930 -4.0930 -2.5768 -2.5768 -2.5768 -2.5768 4.3614 4.3614 4.3614 4.3614 6.6946 6.6946 6.6946 6.6946 7.0656 7.0656 7.0656 7.0656 7.6574 7.6574 7.6574 7.6574 7.9596 7.9596 7.9596 7.9596 8.7867 8.7867 8.7867 8.7867 10.9572 10.9572 10.9572 10.9572 12.7057 12.7057 12.7057 12.7057 12.9230 12.9230 12.9230 12.9230 k = 0.1000 0.0577 0.1392 ( 4232 PWs) bands (ev): -45.0225 -45.0225 -45.0225 -45.0225 -22.5526 -22.5526 -22.5526 -22.5526 -20.5186 -20.5186 -20.5186 -20.5186 -20.3794 -20.3794 -20.3794 -20.3794 -4.0704 -4.0704 -4.0704 -4.0704 -2.5717 -2.5717 -2.5717 -2.5717 4.3833 4.3833 4.3833 4.3833 6.6465 6.6465 6.6465 6.6465 7.0888 7.0888 7.0888 7.0888 7.5939 7.5939 7.5939 7.5939 7.9250 7.9250 7.9250 7.9250 8.8113 8.8113 8.8113 8.8113 10.9037 10.9037 10.9037 10.9037 12.6990 12.6990 12.6990 12.6990 12.9381 12.9381 12.9381 12.9381 k = 0.1091 0.0630 0.1392 ( 4226 PWs) bands (ev): -45.0218 -45.0218 -45.0218 -45.0218 -22.5546 -22.5546 -22.5546 -22.5546 -20.5197 -20.5197 -20.5197 -20.5197 -20.3842 -20.3842 -20.3842 -20.3842 -4.0459 -4.0459 -4.0459 -4.0459 -2.5662 -2.5662 -2.5662 -2.5662 4.4067 4.4067 4.4067 4.4067 6.5959 6.5959 6.5959 6.5959 7.1138 7.1138 7.1138 7.1138 7.5297 7.5297 7.5297 7.5297 7.8884 7.8884 7.8884 7.8884 8.8323 8.8323 8.8323 8.8323 10.8468 10.8468 10.8468 10.8468 12.6911 12.6911 12.6911 12.6911 12.9426 12.9426 12.9426 12.9426 k = 0.1182 0.0682 0.1392 ( 4220 PWs) bands (ev): -45.0209 -45.0209 -45.0209 -45.0209 -22.5568 -22.5568 -22.5568 -22.5568 -20.5210 -20.5210 -20.5210 -20.5210 -20.3891 -20.3891 -20.3891 -20.3891 -4.0195 -4.0195 -4.0195 -4.0195 -2.5603 -2.5603 -2.5603 -2.5603 4.4314 4.4314 4.4314 4.4314 6.5432 6.5432 6.5432 6.5432 7.1407 7.1407 7.1407 7.1407 7.4652 7.4652 7.4652 7.4652 7.8501 7.8501 7.8501 7.8501 8.8494 8.8494 8.8494 8.8494 10.7870 10.7870 10.7870 10.7870 12.6824 12.6824 12.6824 12.6824 12.9375 12.9375 12.9375 12.9375 k = 0.1273 0.0735 0.1392 ( 4214 PWs) bands (ev): -45.0201 -45.0201 -45.0201 -45.0201 -22.5591 -22.5591 -22.5591 -22.5591 -20.5224 -20.5224 -20.5224 -20.5224 -20.3943 -20.3943 -20.3943 -20.3943 -3.9913 -3.9913 -3.9913 -3.9913 -2.5540 -2.5540 -2.5540 -2.5540 4.4571 4.4571 4.4571 4.4571 6.4889 6.4889 6.4889 6.4889 7.1692 7.1692 7.1692 7.1692 7.4005 7.4005 7.4005 7.4005 7.8102 7.8102 7.8102 7.8102 8.8626 8.8626 8.8626 8.8626 10.7245 10.7245 10.7245 10.7245 12.6734 12.6734 12.6734 12.6734 12.9255 12.9255 12.9255 12.9255 k = 0.1364 0.0787 0.1392 ( 4230 PWs) bands (ev): -45.0193 -45.0193 -45.0193 -45.0193 -22.5617 -22.5617 -22.5617 -22.5617 -20.5241 -20.5241 -20.5241 -20.5241 -20.3997 -20.3997 -20.3997 -20.3997 -3.9613 -3.9613 -3.9613 -3.9613 -2.5473 -2.5473 -2.5473 -2.5473 4.4836 4.4836 4.4836 4.4836 6.4334 6.4334 6.4334 6.4334 7.1989 7.1989 7.1989 7.1989 7.3359 7.3359 7.3359 7.3359 7.7691 7.7691 7.7691 7.7691 8.8718 8.8718 8.8718 8.8718 10.6599 10.6599 10.6599 10.6599 12.6647 12.6647 12.6647 12.6647 12.9092 12.9092 12.9092 12.9092 k = 0.1455 0.0840 0.1392 ( 4238 PWs) bands (ev): -45.0185 -45.0185 -45.0185 -45.0185 -22.5643 -22.5643 -22.5643 -22.5643 -20.5259 -20.5259 -20.5259 -20.5259 -20.4051 -20.4051 -20.4051 -20.4051 -3.9297 -3.9297 -3.9297 -3.9297 -2.5402 -2.5402 -2.5402 -2.5402 4.5107 4.5107 4.5107 4.5107 6.3772 6.3772 6.3772 6.3772 7.2274 7.2274 7.2274 7.2274 7.2741 7.2741 7.2741 7.2741 7.7270 7.7270 7.7270 7.7270 8.8769 8.8769 8.8769 8.8769 10.5934 10.5934 10.5934 10.5934 12.6570 12.6570 12.6570 12.6570 12.8904 12.8904 12.8904 12.8904 k = 0.1545 0.0892 0.1392 ( 4250 PWs) bands (ev): -45.0176 -45.0176 -45.0176 -45.0176 -22.5671 -22.5671 -22.5671 -22.5671 -20.5281 -20.5281 -20.5281 -20.5281 -20.4105 -20.4105 -20.4105 -20.4105 -3.8964 -3.8964 -3.8964 -3.8964 -2.5328 -2.5328 -2.5328 -2.5328 4.5379 4.5379 4.5379 4.5379 6.3209 6.3209 6.3209 6.3209 7.2009 7.2009 7.2009 7.2009 7.2687 7.2687 7.2687 7.2687 7.6841 7.6841 7.6841 7.6841 8.8782 8.8782 8.8782 8.8782 10.5255 10.5255 10.5255 10.5255 12.6506 12.6506 12.6506 12.6506 12.8702 12.8702 12.8702 12.8702 k = 0.1636 0.0945 0.1392 ( 4254 PWs) bands (ev): -45.0166 -45.0166 -45.0166 -45.0166 -22.5700 -22.5700 -22.5700 -22.5700 -20.5305 -20.5305 -20.5305 -20.5305 -20.4160 -20.4160 -20.4160 -20.4160 -3.8617 -3.8617 -3.8617 -3.8617 -2.5250 -2.5250 -2.5250 -2.5250 4.5650 4.5650 4.5650 4.5650 6.2648 6.2648 6.2648 6.2648 7.1379 7.1379 7.1379 7.1379 7.3011 7.3011 7.3011 7.3011 7.6409 7.6409 7.6409 7.6409 8.8756 8.8756 8.8756 8.8756 10.4565 10.4565 10.4565 10.4565 12.6461 12.6461 12.6461 12.6461 12.8491 12.8491 12.8491 12.8491 k = 0.1727 0.0997 0.1392 ( 4262 PWs) bands (ev): -45.0157 -45.0157 -45.0157 -45.0157 -22.5731 -22.5731 -22.5731 -22.5731 -20.5332 -20.5332 -20.5332 -20.5332 -20.4213 -20.4213 -20.4213 -20.4213 -3.8255 -3.8255 -3.8255 -3.8255 -2.5170 -2.5170 -2.5170 -2.5170 4.5916 4.5916 4.5916 4.5916 6.2094 6.2094 6.2094 6.2094 7.0738 7.0738 7.0738 7.0738 7.3356 7.3356 7.3356 7.3356 7.5977 7.5977 7.5977 7.5977 8.8695 8.8695 8.8695 8.8695 10.3869 10.3869 10.3869 10.3869 12.6435 12.6435 12.6435 12.6435 12.8278 12.8278 12.8278 12.8278 k = 0.1818 0.1050 0.1392 ( 4272 PWs) bands (ev): -45.0147 -45.0147 -45.0147 -45.0147 -22.5762 -22.5762 -22.5762 -22.5762 -20.5362 -20.5362 -20.5362 -20.5362 -20.4265 -20.4265 -20.4265 -20.4265 -3.7880 -3.7880 -3.7880 -3.7880 -2.5086 -2.5086 -2.5086 -2.5086 4.6172 4.6172 4.6172 4.6172 6.1553 6.1553 6.1553 6.1553 7.0099 7.0099 7.0099 7.0099 7.3701 7.3701 7.3701 7.3701 7.5558 7.5558 7.5558 7.5558 8.8599 8.8599 8.8599 8.8599 10.3171 10.3171 10.3171 10.3171 12.6432 12.6432 12.6432 12.6432 12.8066 12.8066 12.8066 12.8066 k = 0.1909 0.1102 0.1392 ( 4272 PWs) bands (ev): -45.0136 -45.0136 -45.0136 -45.0136 -22.5795 -22.5795 -22.5795 -22.5795 -20.5397 -20.5397 -20.5397 -20.5397 -20.4315 -20.4315 -20.4315 -20.4315 -3.7493 -3.7493 -3.7493 -3.7493 -2.5000 -2.5000 -2.5000 -2.5000 4.6413 4.6413 4.6413 4.6413 6.1028 6.1028 6.1028 6.1028 6.9465 6.9465 6.9465 6.9465 7.4011 7.4011 7.4011 7.4011 7.5183 7.5183 7.5183 7.5183 8.8471 8.8471 8.8471 8.8471 10.2475 10.2475 10.2475 10.2475 12.6451 12.6451 12.6451 12.6451 12.7859 12.7859 12.7859 12.7859 k = 0.2000 0.1155 0.1392 ( 4272 PWs) bands (ev): -45.0125 -45.0125 -45.0125 -45.0125 -22.5829 -22.5829 -22.5829 -22.5829 -20.5435 -20.5435 -20.5435 -20.5435 -20.4362 -20.4362 -20.4362 -20.4362 -3.7094 -3.7094 -3.7094 -3.7094 -2.4912 -2.4912 -2.4912 -2.4912 4.6634 4.6634 4.6634 4.6634 6.0525 6.0525 6.0525 6.0525 6.8839 6.8839 6.8839 6.8839 7.4148 7.4148 7.4148 7.4148 7.4991 7.4991 7.4991 7.4991 8.8315 8.8315 8.8315 8.8315 10.1785 10.1785 10.1785 10.1785 12.6491 12.6491 12.6491 12.6491 12.7660 12.7660 12.7660 12.7660 k = 0.2091 0.1207 0.1392 ( 4276 PWs) bands (ev): -45.0114 -45.0114 -45.0114 -45.0114 -22.5863 -22.5863 -22.5863 -22.5863 -20.5477 -20.5477 -20.5477 -20.5477 -20.4407 -20.4407 -20.4407 -20.4407 -3.6685 -3.6685 -3.6685 -3.6685 -2.4822 -2.4822 -2.4822 -2.4822 4.6830 4.6830 4.6830 4.6830 6.0048 6.0048 6.0048 6.0048 6.8221 6.8221 6.8221 6.8221 7.3933 7.3933 7.3933 7.3933 7.5161 7.5161 7.5161 7.5161 8.8133 8.8133 8.8133 8.8133 10.1107 10.1107 10.1107 10.1107 12.6549 12.6549 12.6549 12.6549 12.7475 12.7475 12.7475 12.7475 k = 0.2182 0.1260 0.1392 ( 4280 PWs) bands (ev): -45.0103 -45.0103 -45.0103 -45.0103 -22.5899 -22.5899 -22.5899 -22.5899 -20.5523 -20.5523 -20.5523 -20.5523 -20.4448 -20.4448 -20.4448 -20.4448 -3.6267 -3.6267 -3.6267 -3.6267 -2.4730 -2.4730 -2.4730 -2.4730 4.6994 4.6994 4.6994 4.6994 5.9601 5.9601 5.9601 5.9601 6.7614 6.7614 6.7614 6.7614 7.3556 7.3556 7.3556 7.3556 7.5502 7.5502 7.5502 7.5502 8.7928 8.7928 8.7928 8.7928 10.0445 10.0445 10.0445 10.0445 12.6617 12.6617 12.6617 12.6617 12.7313 12.7313 12.7313 12.7313 k = 0.2273 0.1312 0.1392 ( 4276 PWs) bands (ev): -45.0091 -45.0091 -45.0091 -45.0091 -22.5935 -22.5935 -22.5935 -22.5935 -20.5573 -20.5573 -20.5573 -20.5573 -20.4485 -20.4485 -20.4485 -20.4485 -3.5840 -3.5840 -3.5840 -3.5840 -2.4636 -2.4636 -2.4636 -2.4636 4.7123 4.7123 4.7123 4.7123 5.9187 5.9187 5.9187 5.9187 6.7021 6.7021 6.7021 6.7021 7.3142 7.3142 7.3142 7.3142 7.5890 7.5890 7.5890 7.5890 8.7704 8.7704 8.7704 8.7704 9.9804 9.9804 9.9804 9.9804 12.6675 12.6675 12.6675 12.6675 12.7191 12.7191 12.7191 12.7191 k = 0.2364 0.1365 0.1392 ( 4280 PWs) bands (ev): -45.0079 -45.0079 -45.0079 -45.0079 -22.5971 -22.5971 -22.5971 -22.5971 -20.5627 -20.5627 -20.5627 -20.5627 -20.4519 -20.4519 -20.4519 -20.4519 -3.5407 -3.5407 -3.5407 -3.5407 -2.4541 -2.4541 -2.4541 -2.4541 4.7212 4.7212 4.7212 4.7212 5.8808 5.8808 5.8808 5.8808 6.6443 6.6443 6.6443 6.6443 7.2720 7.2720 7.2720 7.2720 7.6296 7.6296 7.6296 7.6296 8.7463 8.7463 8.7463 8.7463 9.9187 9.9187 9.9187 9.9187 12.6682 12.6682 12.6682 12.6682 12.7153 12.7153 12.7153 12.7153 k = 0.2455 0.1417 0.1392 ( 4280 PWs) bands (ev): -45.0067 -45.0067 -45.0067 -45.0067 -22.6008 -22.6008 -22.6008 -22.6008 -20.5684 -20.5684 -20.5684 -20.5684 -20.4550 -20.4550 -20.4550 -20.4550 -3.4968 -3.4968 -3.4968 -3.4968 -2.4446 -2.4446 -2.4446 -2.4446 4.7256 4.7256 4.7256 4.7256 5.8465 5.8465 5.8465 5.8465 6.5883 6.5883 6.5883 6.5883 7.2297 7.2297 7.2297 7.2297 7.6710 7.6710 7.6710 7.6710 8.7210 8.7210 8.7210 8.7210 9.8601 9.8601 9.8601 9.8601 12.6619 12.6619 12.6619 12.6619 12.7218 12.7218 12.7218 12.7218 k = 0.2545 0.1470 0.1392 ( 4272 PWs) bands (ev): -45.0055 -45.0055 -45.0055 -45.0055 -22.6046 -22.6046 -22.6046 -22.6046 -20.5744 -20.5744 -20.5744 -20.5744 -20.4577 -20.4577 -20.4577 -20.4577 -3.4524 -3.4524 -3.4524 -3.4524 -2.4349 -2.4349 -2.4349 -2.4349 4.7254 4.7254 4.7254 4.7254 5.8156 5.8156 5.8156 5.8156 6.5344 6.5344 6.5344 6.5344 7.1880 7.1880 7.1880 7.1880 7.7128 7.7128 7.7128 7.7128 8.6946 8.6946 8.6946 8.6946 9.8049 9.8049 9.8049 9.8049 12.6522 12.6522 12.6522 12.6522 12.7345 12.7345 12.7345 12.7345 k = 0.2636 0.1522 0.1392 ( 4280 PWs) bands (ev): -45.0044 -45.0044 -45.0044 -45.0044 -22.6083 -22.6083 -22.6083 -22.6083 -20.5807 -20.5807 -20.5807 -20.5807 -20.4601 -20.4601 -20.4601 -20.4601 -3.4078 -3.4078 -3.4078 -3.4078 -2.4253 -2.4253 -2.4253 -2.4253 4.7205 4.7205 4.7205 4.7205 5.7878 5.7878 5.7878 5.7878 6.4830 6.4830 6.4830 6.4830 7.1469 7.1469 7.1469 7.1469 7.7546 7.7546 7.7546 7.7546 8.6675 8.6675 8.6675 8.6675 9.7535 9.7535 9.7535 9.7535 12.6422 12.6422 12.6422 12.6422 12.7506 12.7506 12.7506 12.7506 k = 0.2727 0.1575 0.1392 ( 4276 PWs) bands (ev): -45.0032 -45.0032 -45.0032 -45.0032 -22.6121 -22.6121 -22.6121 -22.6121 -20.5871 -20.5871 -20.5871 -20.5871 -20.4622 -20.4622 -20.4622 -20.4622 -3.3629 -3.3629 -3.3629 -3.3629 -2.4156 -2.4156 -2.4156 -2.4156 4.7111 4.7111 4.7111 4.7111 5.7625 5.7625 5.7625 5.7625 6.4342 6.4342 6.4342 6.4342 7.1067 7.1067 7.1067 7.1067 7.7963 7.7963 7.7963 7.7963 8.6400 8.6400 8.6400 8.6400 9.7063 9.7063 9.7063 9.7063 12.6330 12.6330 12.6330 12.6330 12.7686 12.7686 12.7686 12.7686 k = 0.2818 0.1627 0.1392 ( 4280 PWs) bands (ev): -45.0020 -45.0020 -45.0020 -45.0020 -22.6159 -22.6159 -22.6159 -22.6159 -20.5937 -20.5937 -20.5937 -20.5937 -20.4640 -20.4640 -20.4640 -20.4640 -3.3180 -3.3180 -3.3180 -3.3180 -2.4060 -2.4060 -2.4060 -2.4060 4.6975 4.6975 4.6975 4.6975 5.7391 5.7391 5.7391 5.7391 6.3885 6.3885 6.3885 6.3885 7.0674 7.0674 7.0674 7.0674 7.8377 7.8377 7.8377 7.8377 8.6125 8.6125 8.6125 8.6125 9.6636 9.6636 9.6636 9.6636 12.6253 12.6253 12.6253 12.6253 12.7879 12.7879 12.7879 12.7879 k = 0.2909 0.1680 0.1392 ( 4286 PWs) bands (ev): -45.0009 -45.0009 -45.0009 -45.0009 -22.6196 -22.6196 -22.6196 -22.6196 -20.6004 -20.6004 -20.6004 -20.6004 -20.4656 -20.4656 -20.4656 -20.4656 -3.2732 -3.2732 -3.2732 -3.2732 -2.3965 -2.3965 -2.3965 -2.3965 4.6802 4.6802 4.6802 4.6802 5.7168 5.7168 5.7168 5.7168 6.3460 6.3460 6.3460 6.3460 7.0292 7.0292 7.0292 7.0292 7.8785 7.8785 7.8785 7.8785 8.5852 8.5852 8.5852 8.5852 9.6256 9.6256 9.6256 9.6256 12.6191 12.6191 12.6191 12.6191 12.8083 12.8083 12.8083 12.8083 k = 0.3000 0.1732 0.1392 ( 4286 PWs) bands (ev): -44.9998 -44.9998 -44.9998 -44.9998 -22.6233 -22.6233 -22.6233 -22.6233 -20.6071 -20.6071 -20.6071 -20.6071 -20.4670 -20.4670 -20.4670 -20.4670 -3.2287 -3.2287 -3.2287 -3.2287 -2.3871 -2.3871 -2.3871 -2.3871 4.6596 4.6596 4.6596 4.6596 5.6948 5.6948 5.6948 5.6948 6.3071 6.3071 6.3071 6.3071 6.9922 6.9922 6.9922 6.9922 7.9186 7.9186 7.9186 7.9186 8.5584 8.5584 8.5584 8.5584 9.5927 9.5927 9.5927 9.5927 12.6145 12.6145 12.6145 12.6145 12.8294 12.8294 12.8294 12.8294 k = 0.3091 0.1785 0.1392 ( 4288 PWs) bands (ev): -44.9987 -44.9987 -44.9987 -44.9987 -22.6270 -22.6270 -22.6270 -22.6270 -20.6137 -20.6137 -20.6137 -20.6137 -20.4682 -20.4682 -20.4682 -20.4682 -3.1846 -3.1846 -3.1846 -3.1846 -2.3779 -2.3779 -2.3779 -2.3779 4.6365 4.6365 4.6365 4.6365 5.6723 5.6723 5.6723 5.6723 6.2716 6.2716 6.2716 6.2716 6.9563 6.9563 6.9563 6.9563 7.9578 7.9578 7.9578 7.9578 8.5323 8.5323 8.5323 8.5323 9.5648 9.5648 9.5648 9.5648 12.6117 12.6117 12.6117 12.6117 12.8510 12.8510 12.8510 12.8510 k = 0.3182 0.1837 0.1392 ( 4294 PWs) bands (ev): -44.9976 -44.9976 -44.9976 -44.9976 -22.6307 -22.6307 -22.6307 -22.6307 -20.6204 -20.6204 -20.6204 -20.6204 -20.4693 -20.4693 -20.4693 -20.4693 -3.1409 -3.1409 -3.1409 -3.1409 -2.3688 -2.3688 -2.3688 -2.3688 4.6113 4.6113 4.6113 4.6113 5.6489 5.6489 5.6489 5.6489 6.2397 6.2397 6.2397 6.2397 6.9218 6.9218 6.9218 6.9218 7.9960 7.9960 7.9960 7.9960 8.5073 8.5073 8.5073 8.5073 9.5421 9.5421 9.5421 9.5421 12.6106 12.6106 12.6106 12.6106 12.8732 12.8732 12.8732 12.8732 k = 0.3273 0.1890 0.1392 ( 4286 PWs) bands (ev): -44.9965 -44.9965 -44.9965 -44.9965 -22.6342 -22.6342 -22.6342 -22.6342 -20.6269 -20.6269 -20.6269 -20.6269 -20.4702 -20.4702 -20.4702 -20.4702 -3.0980 -3.0980 -3.0980 -3.0980 -2.3600 -2.3600 -2.3600 -2.3600 4.5847 4.5847 4.5847 4.5847 5.6242 5.6242 5.6242 5.6242 6.2112 6.2112 6.2112 6.2112 6.8887 6.8887 6.8887 6.8887 8.0329 8.0329 8.0329 8.0329 8.4836 8.4836 8.4836 8.4836 9.5245 9.5245 9.5245 9.5245 12.6112 12.6112 12.6112 12.6112 12.8956 12.8956 12.8956 12.8956 k = 0.3364 0.1942 0.1392 ( 4290 PWs) bands (ev): -44.9955 -44.9955 -44.9955 -44.9955 -22.6377 -22.6377 -22.6377 -22.6377 -20.6332 -20.6332 -20.6332 -20.6332 -20.4709 -20.4709 -20.4709 -20.4709 -3.0560 -3.0560 -3.0560 -3.0560 -2.3514 -2.3514 -2.3514 -2.3514 4.5572 4.5572 4.5572 4.5572 5.5982 5.5982 5.5982 5.5982 6.1856 6.1856 6.1856 6.1856 6.8569 6.8569 6.8569 6.8569 8.0684 8.0684 8.0684 8.0684 8.4614 8.4614 8.4614 8.4614 9.5120 9.5120 9.5120 9.5120 12.6133 12.6133 12.6133 12.6133 12.9181 12.9181 12.9181 12.9181 k = 0.3455 0.1994 0.1392 ( 4284 PWs) bands (ev): -44.9945 -44.9945 -44.9945 -44.9945 -22.6410 -22.6410 -22.6410 -22.6410 -20.6394 -20.6394 -20.6394 -20.6394 -20.4716 -20.4716 -20.4716 -20.4716 -3.0149 -3.0149 -3.0149 -3.0149 -2.3431 -2.3431 -2.3431 -2.3431 4.5293 4.5293 4.5293 4.5293 5.5710 5.5710 5.5710 5.5710 6.1626 6.1626 6.1626 6.1626 6.8266 6.8266 6.8266 6.8266 8.1024 8.1024 8.1024 8.1024 8.4409 8.4409 8.4409 8.4409 9.5043 9.5043 9.5043 9.5043 12.6170 12.6170 12.6170 12.6170 12.9408 12.9408 12.9408 12.9408 k = 0.3545 0.2047 0.1392 ( 4282 PWs) bands (ev): -44.9935 -44.9935 -44.9935 -44.9935 -22.6443 -22.6443 -22.6443 -22.6443 -20.6454 -20.6454 -20.6454 -20.6454 -20.4721 -20.4721 -20.4721 -20.4721 -2.9750 -2.9750 -2.9750 -2.9750 -2.3352 -2.3352 -2.3352 -2.3352 4.5014 4.5014 4.5014 4.5014 5.5427 5.5427 5.5427 5.5427 6.1417 6.1417 6.1417 6.1417 6.7978 6.7978 6.7978 6.7978 8.1347 8.1347 8.1347 8.1347 8.4221 8.4221 8.4221 8.4221 9.5012 9.5012 9.5012 9.5012 12.6221 12.6221 12.6221 12.6221 12.9634 12.9634 12.9634 12.9634 k = 0.3636 0.2099 0.1392 ( 4290 PWs) bands (ev): -44.9926 -44.9926 -44.9926 -44.9926 -22.6474 -22.6474 -22.6474 -22.6474 -20.6512 -20.6512 -20.6512 -20.6512 -20.4726 -20.4726 -20.4726 -20.4726 -2.9365 -2.9365 -2.9365 -2.9365 -2.3276 -2.3276 -2.3276 -2.3276 4.4739 4.4739 4.4739 4.4739 5.5139 5.5139 5.5139 5.5139 6.1225 6.1225 6.1225 6.1225 6.7706 6.7706 6.7706 6.7706 8.1650 8.1650 8.1650 8.1650 8.4054 8.4054 8.4054 8.4054 9.5024 9.5024 9.5024 9.5024 12.6285 12.6285 12.6285 12.6285 12.9859 12.9859 12.9859 12.9859 k = 0.3727 0.2152 0.1392 ( 4286 PWs) bands (ev): -44.9917 -44.9917 -44.9917 -44.9917 -22.6504 -22.6504 -22.6504 -22.6504 -20.6567 -20.6567 -20.6567 -20.6567 -20.4730 -20.4730 -20.4730 -20.4730 -2.8994 -2.8994 -2.8994 -2.8994 -2.3204 -2.3204 -2.3204 -2.3204 4.4471 4.4471 4.4471 4.4471 5.4849 5.4849 5.4849 5.4849 6.1046 6.1046 6.1046 6.1046 6.7450 6.7450 6.7450 6.7450 8.1930 8.1930 8.1930 8.1930 8.3908 8.3908 8.3908 8.3908 9.5076 9.5076 9.5076 9.5076 12.6360 12.6360 12.6360 12.6360 13.0082 13.0082 13.0082 13.0082 k = 0.3818 0.2204 0.1392 ( 4282 PWs) bands (ev): -44.9909 -44.9909 -44.9909 -44.9909 -22.6533 -22.6533 -22.6533 -22.6533 -20.6619 -20.6619 -20.6619 -20.6619 -20.4734 -20.4734 -20.4734 -20.4734 -2.8640 -2.8640 -2.8640 -2.8640 -2.3137 -2.3137 -2.3137 -2.3137 4.4213 4.4213 4.4213 4.4213 5.4562 5.4562 5.4562 5.4562 6.0877 6.0877 6.0877 6.0877 6.7210 6.7210 6.7210 6.7210 8.2185 8.2185 8.2185 8.2185 8.3787 8.3787 8.3787 8.3787 9.5161 9.5161 9.5161 9.5161 12.6443 12.6443 12.6443 12.6443 13.0303 13.0303 13.0303 13.0303 k = 0.3909 0.2257 0.1392 ( 4292 PWs) bands (ev): -44.9902 -44.9902 -44.9902 -44.9902 -22.6560 -22.6560 -22.6560 -22.6560 -20.6668 -20.6668 -20.6668 -20.6668 -20.4736 -20.4736 -20.4736 -20.4736 -2.8303 -2.8303 -2.8303 -2.8303 -2.3074 -2.3074 -2.3074 -2.3074 4.3966 4.3966 4.3966 4.3966 5.4281 5.4281 5.4281 5.4281 6.0717 6.0717 6.0717 6.0717 6.6987 6.6987 6.6987 6.6987 8.2408 8.2408 8.2408 8.2408 8.3695 8.3695 8.3695 8.3695 9.5276 9.5276 9.5276 9.5276 12.6534 12.6534 12.6534 12.6534 13.0518 13.0518 13.0518 13.0518 k = 0.4000 0.2309 0.1392 ( 4288 PWs) bands (ev): -44.9894 -44.9894 -44.9894 -44.9894 -22.6585 -22.6585 -22.6585 -22.6585 -20.6714 -20.6714 -20.6714 -20.6714 -20.4739 -20.4739 -20.4739 -20.4739 -2.7987 -2.7987 -2.7987 -2.7987 -2.3016 -2.3016 -2.3016 -2.3016 4.3734 4.3734 4.3734 4.3734 5.4010 5.4010 5.4010 5.4010 6.0564 6.0564 6.0564 6.0564 6.6780 6.6780 6.6780 6.6780 8.2590 8.2590 8.2590 8.2590 8.3639 8.3639 8.3639 8.3639 9.5415 9.5415 9.5415 9.5415 12.6629 12.6629 12.6629 12.6629 13.0729 13.0729 13.0729 13.0729 k = 0.4091 0.2362 0.1392 ( 4288 PWs) bands (ev): -44.9887 -44.9887 -44.9887 -44.9887 -22.6609 -22.6609 -22.6609 -22.6609 -20.6757 -20.6757 -20.6757 -20.6757 -20.4741 -20.4741 -20.4741 -20.4741 -2.7691 -2.7691 -2.7691 -2.7691 -2.2963 -2.2963 -2.2963 -2.2963 4.3517 4.3517 4.3517 4.3517 5.3752 5.3752 5.3752 5.3752 6.0418 6.0418 6.0418 6.0418 6.6591 6.6591 6.6591 6.6591 8.2722 8.2722 8.2722 8.2722 8.3628 8.3628 8.3628 8.3628 9.5571 9.5571 9.5571 9.5571 12.6727 12.6727 12.6727 12.6727 13.0933 13.0933 13.0933 13.0933 k = 0.4182 0.2414 0.1392 ( 4286 PWs) bands (ev): -44.9881 -44.9881 -44.9881 -44.9881 -22.6630 -22.6630 -22.6630 -22.6630 -20.6795 -20.6795 -20.6795 -20.6795 -20.4742 -20.4742 -20.4742 -20.4742 -2.7418 -2.7418 -2.7418 -2.7418 -2.2915 -2.2915 -2.2915 -2.2915 4.3317 4.3317 4.3317 4.3317 5.3512 5.3512 5.3512 5.3512 6.0280 6.0280 6.0280 6.0280 6.6419 6.6419 6.6419 6.6419 8.2797 8.2797 8.2797 8.2797 8.3666 8.3666 8.3666 8.3666 9.5738 9.5738 9.5738 9.5738 12.6826 12.6826 12.6826 12.6826 13.1129 13.1129 13.1129 13.1129 k = 0.4273 0.2467 0.1392 ( 4282 PWs) bands (ev): -44.9875 -44.9875 -44.9875 -44.9875 -22.6650 -22.6650 -22.6650 -22.6650 -20.6830 -20.6830 -20.6830 -20.6830 -20.4744 -20.4744 -20.4744 -20.4744 -2.7168 -2.7168 -2.7168 -2.7168 -2.2872 -2.2872 -2.2872 -2.2872 4.3136 4.3136 4.3136 4.3136 5.3290 5.3290 5.3290 5.3290 6.0151 6.0151 6.0151 6.0151 6.6265 6.6265 6.6265 6.6265 8.2826 8.2826 8.2826 8.2826 8.3743 8.3743 8.3743 8.3743 9.5911 9.5911 9.5911 9.5911 12.6922 12.6922 12.6922 12.6922 13.1316 13.1316 13.1316 13.1316 k = 0.4364 0.2519 0.1392 ( 4286 PWs) bands (ev): -44.9871 -44.9871 -44.9871 -44.9871 -22.6667 -22.6667 -22.6667 -22.6667 -20.6862 -20.6862 -20.6862 -20.6862 -20.4745 -20.4745 -20.4745 -20.4745 -2.6945 -2.6945 -2.6945 -2.6945 -2.2835 -2.2835 -2.2835 -2.2835 4.2974 4.2974 4.2974 4.2974 5.3089 5.3089 5.3089 5.3089 6.0033 6.0033 6.0033 6.0033 6.6128 6.6128 6.6128 6.6128 8.2825 8.2825 8.2825 8.2825 8.3839 8.3839 8.3839 8.3839 9.6081 9.6081 9.6081 9.6081 12.7013 12.7013 12.7013 12.7013 13.1489 13.1489 13.1489 13.1489 k = 0.4455 0.2572 0.1392 ( 4290 PWs) bands (ev): -44.9866 -44.9866 -44.9866 -44.9866 -22.6682 -22.6682 -22.6682 -22.6682 -20.6889 -20.6889 -20.6889 -20.6889 -20.4746 -20.4746 -20.4746 -20.4746 -2.6748 -2.6748 -2.6748 -2.6748 -2.2803 -2.2803 -2.2803 -2.2803 4.2832 4.2832 4.2832 4.2832 5.2912 5.2912 5.2912 5.2912 5.9926 5.9926 5.9926 5.9926 6.6010 6.6010 6.6010 6.6010 8.2810 8.2810 8.2810 8.2810 8.3939 8.3939 8.3939 8.3939 9.6244 9.6244 9.6244 9.6244 12.7097 12.7097 12.7097 12.7097 13.1648 13.1648 13.1648 13.1648 k = 0.4545 0.2624 0.1392 ( 4294 PWs) bands (ev): -44.9863 -44.9863 -44.9863 -44.9863 -22.6695 -22.6695 -22.6695 -22.6695 -20.6912 -20.6912 -20.6912 -20.6912 -20.4746 -20.4746 -20.4746 -20.4746 -2.6579 -2.6579 -2.6579 -2.6579 -2.2776 -2.2776 -2.2776 -2.2776 4.2710 4.2710 4.2710 4.2710 5.2759 5.2759 5.2759 5.2759 5.9832 5.9832 5.9832 5.9832 6.5909 6.5909 6.5909 6.5909 8.2791 8.2791 8.2791 8.2791 8.4032 8.4032 8.4032 8.4032 9.6393 9.6393 9.6393 9.6393 12.7173 12.7173 12.7173 12.7173 13.1790 13.1790 13.1790 13.1790 k = 0.4636 0.2677 0.1392 ( 4296 PWs) bands (ev): -44.9860 -44.9860 -44.9860 -44.9860 -22.6706 -22.6706 -22.6706 -22.6706 -20.6931 -20.6931 -20.6931 -20.6931 -20.4747 -20.4747 -20.4747 -20.4747 -2.6439 -2.6439 -2.6439 -2.6439 -2.2754 -2.2754 -2.2754 -2.2754 4.2611 4.2611 4.2611 4.2611 5.2632 5.2632 5.2632 5.2632 5.9753 5.9753 5.9753 5.9753 6.5826 6.5826 6.5826 6.5826 8.2772 8.2772 8.2772 8.2772 8.4112 8.4112 8.4112 8.4112 9.6523 9.6523 9.6523 9.6523 12.7237 12.7237 12.7237 12.7237 13.1912 13.1912 13.1912 13.1912 k = 0.4727 0.2729 0.1392 ( 4292 PWs) bands (ev): -44.9858 -44.9858 -44.9858 -44.9858 -22.6714 -22.6714 -22.6714 -22.6714 -20.6946 -20.6946 -20.6946 -20.6946 -20.4747 -20.4747 -20.4747 -20.4747 -2.6328 -2.6328 -2.6328 -2.6328 -2.2737 -2.2737 -2.2737 -2.2737 4.2532 4.2532 4.2532 4.2532 5.2533 5.2533 5.2533 5.2533 5.9690 5.9690 5.9690 5.9690 6.5762 6.5762 6.5762 6.5762 8.2755 8.2755 8.2755 8.2755 8.4177 8.4177 8.4177 8.4177 9.6629 9.6629 9.6629 9.6629 12.7289 12.7289 12.7289 12.7289 13.2010 13.2010 13.2010 13.2010 k = 0.4818 0.2782 0.1392 ( 4296 PWs) bands (ev): -44.9856 -44.9856 -44.9856 -44.9856 -22.6721 -22.6721 -22.6721 -22.6721 -20.6957 -20.6957 -20.6957 -20.6957 -20.4747 -20.4747 -20.4747 -20.4747 -2.6249 -2.6249 -2.6249 -2.6249 -2.2726 -2.2726 -2.2726 -2.2726 4.2476 4.2476 4.2476 4.2476 5.2461 5.2461 5.2461 5.2461 5.9645 5.9645 5.9645 5.9645 6.5716 6.5716 6.5716 6.5716 8.2743 8.2743 8.2743 8.2743 8.4224 8.4224 8.4224 8.4224 9.6708 9.6708 9.6708 9.6708 12.7328 12.7328 12.7328 12.7328 13.2083 13.2083 13.2083 13.2083 k = 0.4909 0.2834 0.1392 ( 4302 PWs) bands (ev): -44.9856 -44.9856 -44.9856 -44.9856 -22.6724 -22.6724 -22.6724 -22.6724 -20.6963 -20.6963 -20.6963 -20.6963 -20.4748 -20.4748 -20.4748 -20.4748 -2.6202 -2.6202 -2.6202 -2.6202 -2.2719 -2.2719 -2.2719 -2.2719 4.2443 4.2443 4.2443 4.2443 5.2418 5.2418 5.2418 5.2418 5.9617 5.9617 5.9617 5.9617 6.5689 6.5689 6.5689 6.5689 8.2735 8.2735 8.2735 8.2735 8.4253 8.4253 8.4253 8.4253 9.6756 9.6756 9.6756 9.6756 12.7351 12.7351 12.7351 12.7351 13.2127 13.2127 13.2127 13.2127 k = 0.5000 0.2887 0.1392 ( 4304 PWs) bands (ev): -44.9855 -44.9855 -44.9855 -44.9855 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6966 -20.6966 -20.4748 -20.4748 -20.4748 -20.4748 -2.6186 -2.6186 -2.6186 -2.6186 -2.2716 -2.2716 -2.2716 -2.2716 4.2431 4.2431 4.2431 4.2431 5.2403 5.2403 5.2403 5.2403 5.9608 5.9608 5.9608 5.9608 6.5679 6.5679 6.5679 6.5679 8.2732 8.2732 8.2732 8.2732 8.4263 8.4263 8.4263 8.4263 9.6772 9.6772 9.6772 9.6772 12.7359 12.7359 12.7359 12.7359 13.2142 13.2142 13.2142 13.2142 k = 0.5000 0.2887 0.1392 ( 4304 PWs) bands (ev): -44.9855 -44.9855 -44.9855 -44.9855 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6966 -20.6966 -20.4748 -20.4748 -20.4748 -20.4748 -2.6186 -2.6186 -2.6186 -2.6186 -2.2716 -2.2716 -2.2716 -2.2716 4.2431 4.2431 4.2431 4.2431 5.2403 5.2403 5.2403 5.2403 5.9608 5.9608 5.9608 5.9608 6.5679 6.5679 6.5679 6.5679 8.2732 8.2732 8.2732 8.2732 8.4263 8.4263 8.4263 8.4263 9.6772 9.6772 9.6772 9.6772 12.7359 12.7359 12.7359 12.7359 13.2142 13.2142 13.2142 13.2142 k = 0.4948 0.2977 0.1392 ( 4304 PWs) bands (ev): -44.9855 -44.9855 -44.9855 -44.9855 -22.6736 -22.6736 -22.6715 -22.6715 -20.6978 -20.6978 -20.6952 -20.6952 -20.4750 -20.4750 -20.4748 -20.4748 -2.6199 -2.6199 -2.6163 -2.6163 -2.2714 -2.2714 -2.2714 -2.2714 4.2438 4.2438 4.2457 4.2457 5.2382 5.2382 5.2392 5.2392 5.9595 5.9595 5.9601 5.9601 6.5684 6.5684 6.5713 6.5713 8.2725 8.2725 8.2735 8.2735 8.4170 8.4170 8.4257 8.4257 9.6725 9.6725 9.6837 9.6837 12.7310 12.7310 12.7407 12.7407 13.2077 13.2077 13.2228 13.2228 k = 0.4896 0.3067 0.1392 ( 4300 PWs) bands (ev): -44.9855 -44.9855 -44.9855 -44.9855 -22.6747 -22.6747 -22.6705 -22.6705 -20.6990 -20.6990 -20.6937 -20.6937 -20.4756 -20.4756 -20.4752 -20.4752 -2.6203 -2.6203 -2.6131 -2.6131 -2.2709 -2.2709 -2.2708 -2.2708 4.2476 4.2476 4.2513 4.2513 5.2328 5.2328 5.2349 5.2349 5.9565 5.9565 5.9576 5.9576 6.5725 6.5725 6.5783 6.5783 8.2708 8.2708 8.2734 8.2734 8.3988 8.3988 8.4151 8.4151 9.6695 9.6695 9.6917 9.6917 12.7259 12.7259 12.7452 12.7452 13.2034 13.2034 13.2335 13.2335 k = 0.4844 0.3157 0.1392 ( 4290 PWs) bands (ev): -44.9853 -44.9853 -44.9853 -44.9853 -22.6758 -22.6758 -22.6696 -22.6696 -20.7001 -20.7001 -20.6922 -20.6922 -20.4765 -20.4765 -20.4758 -20.4758 -2.6198 -2.6198 -2.6089 -2.6089 -2.2699 -2.2699 -2.2698 -2.2698 4.2545 4.2545 4.2602 4.2602 5.2241 5.2241 5.2274 5.2274 5.9517 5.9517 5.9536 5.9536 6.5802 6.5802 6.5886 6.5886 8.2663 8.2663 8.2722 8.2722 8.3736 8.3736 8.3954 8.3954 9.6685 9.6685 9.7009 9.7009 12.7204 12.7204 12.7489 12.7489 13.2017 13.2017 13.2464 13.2464 k = 0.4792 0.3248 0.1392 ( 4290 PWs) bands (ev): -44.9853 -44.9853 -44.9853 -44.9853 -22.6769 -22.6769 -22.6686 -22.6686 -20.7012 -20.7012 -20.6905 -20.6905 -20.4777 -20.4777 -20.4768 -20.4768 -2.6183 -2.6183 -2.6039 -2.6039 -2.2685 -2.2685 -2.2684 -2.2684 4.2646 4.2646 4.2721 4.2721 5.2122 5.2122 5.2166 5.2166 5.9458 5.9458 5.9485 5.9485 6.5912 6.5912 6.6021 6.6021 8.2546 8.2546 8.2682 8.2682 8.3465 8.3465 8.3685 8.3685 9.6693 9.6693 9.7110 9.7110 12.7138 12.7138 12.7510 12.7510 13.2030 13.2030 13.2617 13.2617 k = 0.4740 0.3338 0.1392 ( 4290 PWs) bands (ev): -44.9852 -44.9852 -44.9852 -44.9852 -22.6781 -22.6781 -22.6678 -22.6678 -20.7021 -20.7021 -20.6888 -20.6888 -20.4791 -20.4791 -20.4782 -20.4782 -2.6159 -2.6159 -2.5980 -2.5980 -2.2668 -2.2668 -2.2666 -2.2666 4.2778 4.2778 4.2871 4.2871 5.1972 5.1972 5.2026 5.2026 5.9390 5.9390 5.9429 5.9429 6.6051 6.6051 6.6181 6.6181 8.2276 8.2276 8.2560 8.2560 8.3263 8.3263 8.3402 8.3402 9.6719 9.6719 9.7219 9.7219 12.7055 12.7055 12.7505 12.7505 13.2082 13.2082 13.2799 13.2799 k = 0.4688 0.3428 0.1392 ( 4290 PWs) bands (ev): -44.9850 -44.9850 -44.9850 -44.9850 -22.6793 -22.6793 -22.6669 -22.6669 -20.7030 -20.7030 -20.6870 -20.6870 -20.4808 -20.4808 -20.4798 -20.4798 -2.6127 -2.6127 -2.5912 -2.5912 -2.2647 -2.2647 -2.2645 -2.2645 4.2940 4.2940 4.3053 4.3053 5.1790 5.1790 5.1855 5.1855 5.9320 5.9320 5.9372 5.9372 6.6214 6.6214 6.6365 6.6365 8.1820 8.1820 8.2259 8.2259 8.3166 8.3166 8.3207 8.3207 9.6762 9.6762 9.7333 9.7333 12.6948 12.6948 12.7464 12.7464 13.2178 13.2178 13.3010 13.3010 k = 0.4635 0.3518 0.1392 ( 4290 PWs) bands (ev): -44.9849 -44.9849 -44.9849 -44.9849 -22.6805 -22.6805 -22.6662 -22.6662 -20.7039 -20.7039 -20.6850 -20.6850 -20.4827 -20.4827 -20.4817 -20.4817 -2.6086 -2.6086 -2.5837 -2.5837 -2.2622 -2.2622 -2.2621 -2.2621 4.3133 4.3133 4.3264 4.3264 5.1578 5.1578 5.1654 5.1654 5.9251 5.9251 5.9317 5.9317 6.6399 6.6399 6.6568 6.6568 8.1227 8.1227 8.1762 8.1762 8.3126 8.3126 8.3133 8.3133 9.6820 9.6820 9.7451 9.7451 12.6811 12.6811 12.7376 12.7376 13.2323 13.2323 13.3252 13.3252 k = 0.4583 0.3608 0.1392 ( 4282 PWs) bands (ev): -44.9847 -44.9847 -44.9847 -44.9847 -22.6817 -22.6817 -22.6654 -22.6654 -20.7046 -20.7046 -20.6830 -20.6830 -20.4848 -20.4848 -20.4839 -20.4839 -2.6037 -2.6037 -2.5753 -2.5753 -2.2595 -2.2595 -2.2593 -2.2593 4.3356 4.3356 4.3505 4.3505 5.1338 5.1338 5.1424 5.1424 5.9187 5.9187 5.9269 5.9269 6.6602 6.6602 6.6786 6.6786 8.0540 8.0540 8.1131 8.1131 8.3100 8.3100 8.3125 8.3125 9.6891 9.6891 9.7574 9.7574 12.6639 12.6639 12.7237 12.7237 13.2519 13.2519 13.3526 13.3526 k = 0.4531 0.3699 0.1392 ( 4278 PWs) bands (ev): -44.9845 -44.9845 -44.9845 -44.9845 -22.6829 -22.6829 -22.6647 -22.6647 -20.7054 -20.7054 -20.6809 -20.6809 -20.4871 -20.4871 -20.4864 -20.4864 -2.5980 -2.5980 -2.5663 -2.5663 -2.2564 -2.2564 -2.2562 -2.2562 4.3608 4.3608 4.3776 4.3776 5.1073 5.1073 5.1168 5.1168 5.9133 5.9133 5.9230 5.9230 6.6819 6.6819 6.7017 6.7017 7.9782 7.9782 8.0409 8.0409 8.3094 8.3094 8.3125 8.3125 9.6977 9.6977 9.7701 9.7701 12.6429 12.6429 12.7042 12.7042 13.2762 13.2762 13.3830 13.3830 k = 0.4479 0.3789 0.1392 ( 4282 PWs) bands (ev): -44.9843 -44.9843 -44.9843 -44.9843 -22.6841 -22.6841 -22.6641 -22.6641 -20.7061 -20.7061 -20.6787 -20.6787 -20.4895 -20.4895 -20.4892 -20.4892 -2.5915 -2.5915 -2.5566 -2.5566 -2.2531 -2.2531 -2.2529 -2.2529 4.3890 4.3890 4.4075 4.4075 5.0784 5.0784 5.0888 5.0888 5.9089 5.9089 5.9202 5.9202 6.7049 6.7049 6.7259 6.7259 7.8965 7.8965 7.9617 7.9617 8.3092 8.3092 8.3125 8.3125 9.7075 9.7075 9.7834 9.7834 12.6178 12.6178 12.6791 12.6791 13.3047 13.3047 13.4158 13.4158 k = 0.4427 0.3879 0.1392 ( 4282 PWs) bands (ev): -44.9841 -44.9841 -44.9841 -44.9841 -22.6853 -22.6853 -22.6635 -22.6635 -20.7068 -20.7068 -20.6765 -20.6765 -20.4922 -20.4922 -20.4921 -20.4921 -2.5845 -2.5845 -2.5464 -2.5464 -2.2496 -2.2496 -2.2493 -2.2493 4.4199 4.4199 4.4402 4.4402 5.0477 5.0477 5.0587 5.0587 5.9057 5.9057 5.9185 5.9185 6.7289 6.7289 6.7509 6.7509 7.8101 7.8101 7.8768 7.8768 8.3087 8.3087 8.3119 8.3119 9.7187 9.7187 9.7974 9.7974 12.5885 12.5885 12.6489 12.6489 13.3365 13.3365 13.4506 13.4506 k = 0.4375 0.3969 0.1392 ( 4282 PWs) bands (ev): -44.9839 -44.9839 -44.9839 -44.9839 -22.6866 -22.6866 -22.6630 -22.6630 -20.7074 -20.7074 -20.6741 -20.6741 -20.4955 -20.4955 -20.4948 -20.4948 -2.5768 -2.5768 -2.5356 -2.5356 -2.2459 -2.2459 -2.2456 -2.2456 4.4536 4.4536 4.4757 4.4757 5.0153 5.0153 5.0270 5.0270 5.9038 5.9038 5.9180 5.9180 6.7537 6.7537 6.7767 6.7767 7.7197 7.7197 7.7872 7.7872 8.3075 8.3075 8.3104 8.3104 9.7313 9.7313 9.8123 9.8123 12.5553 12.5553 12.6137 12.6137 13.3705 13.3705 13.4864 13.4864 k = 0.4323 0.4059 0.1392 ( 4286 PWs) bands (ev): -44.9837 -44.9837 -44.9837 -44.9837 -22.6878 -22.6878 -22.6625 -22.6625 -20.7080 -20.7080 -20.6718 -20.6718 -20.4989 -20.4989 -20.4975 -20.4975 -2.5685 -2.5685 -2.5243 -2.5243 -2.2420 -2.2420 -2.2416 -2.2416 4.4900 4.4900 4.5138 4.5138 4.9817 4.9817 4.9940 4.9940 5.9031 5.9031 5.9186 5.9186 6.7792 6.7792 6.8029 6.8029 7.6261 7.6261 7.6937 7.6937 8.3051 8.3051 8.3076 8.3076 9.7453 9.7453 9.8283 9.8283 12.5182 12.5182 12.5742 12.5742 13.4056 13.4056 13.5221 13.5221 k = 0.4271 0.4150 0.1392 ( 4282 PWs) bands (ev): -44.9835 -44.9835 -44.9834 -44.9834 -22.6890 -22.6890 -22.6621 -22.6621 -20.7086 -20.7086 -20.6693 -20.6693 -20.5025 -20.5025 -20.5003 -20.5003 -2.5598 -2.5598 -2.5127 -2.5127 -2.2380 -2.2380 -2.2376 -2.2376 4.5289 4.5289 4.5545 4.5545 4.9474 4.9474 4.9600 4.9600 5.9036 5.9036 5.9202 5.9202 6.8053 6.8053 6.8296 6.8296 7.5300 7.5300 7.5972 7.5972 8.3014 8.3014 8.3033 8.3033 9.7610 9.7610 9.8457 9.8457 12.4776 12.4776 12.5306 12.5306 13.4405 13.4405 13.5564 13.5564 k = 0.4219 0.4240 0.1392 ( 4282 PWs) bands (ev): -44.9832 -44.9832 -44.9832 -44.9832 -22.6902 -22.6902 -22.6617 -22.6617 -20.7093 -20.7093 -20.6668 -20.6668 -20.5063 -20.5063 -20.5031 -20.5031 -2.5507 -2.5507 -2.5007 -2.5007 -2.2339 -2.2339 -2.2334 -2.2334 4.5702 4.5702 4.5975 4.5975 4.9126 4.9126 4.9255 4.9255 5.9052 5.9052 5.9227 5.9227 6.8318 6.8318 6.8565 6.8565 7.4321 7.4321 7.4981 7.4981 8.2962 8.2962 8.2975 8.2975 9.7783 9.7783 9.8644 9.8644 12.4337 12.4337 12.4836 12.4836 13.4739 13.4739 13.5879 13.5879 k = 0.4167 0.4330 0.1392 ( 4282 PWs) bands (ev): -44.9830 -44.9830 -44.9830 -44.9830 -22.6914 -22.6914 -22.6614 -22.6614 -20.7099 -20.7099 -20.6643 -20.6643 -20.5102 -20.5102 -20.5059 -20.5059 -2.5412 -2.5412 -2.4886 -2.4886 -2.2297 -2.2297 -2.2293 -2.2293 4.6138 4.6138 4.6429 4.6429 4.8778 4.8778 4.8910 4.8910 5.9079 5.9079 5.9259 5.9259 6.8586 6.8586 6.8833 6.8833 7.3332 7.3332 7.3973 7.3973 8.2893 8.2893 8.2898 8.2898 9.7974 9.7974 9.8849 9.8849 12.3870 12.3870 12.4335 12.4335 13.5043 13.5043 13.6149 13.6149 k = 0.4115 0.4420 0.1392 ( 4284 PWs) bands (ev): -44.9827 -44.9827 -44.9827 -44.9827 -22.6925 -22.6925 -22.6611 -22.6611 -20.7105 -20.7105 -20.6617 -20.6617 -20.5142 -20.5142 -20.5086 -20.5086 -2.5315 -2.5315 -2.4763 -2.4763 -2.2256 -2.2256 -2.2251 -2.2251 4.6594 4.6594 4.6903 4.6903 4.8437 4.8437 4.8568 4.8568 5.9114 5.9114 5.9297 5.9297 6.8856 6.8856 6.9093 6.9093 7.2344 7.2344 7.2953 7.2953 8.2803 8.2803 8.2807 8.2807 9.8183 9.8183 9.9071 9.9071 12.3377 12.3377 12.3808 12.3808 13.5307 13.5307 13.6361 13.6361 k = 0.4062 0.4511 0.1392 ( 4284 PWs) bands (ev): -44.9825 -44.9825 -44.9825 -44.9825 -22.6936 -22.6936 -22.6609 -22.6609 -20.7111 -20.7111 -20.6591 -20.6591 -20.5182 -20.5182 -20.5112 -20.5112 -2.5217 -2.5217 -2.4640 -2.4640 -2.2215 -2.2215 -2.2209 -2.2209 4.7062 4.7062 4.7390 4.7390 4.8112 4.8112 4.8240 4.8240 5.9156 5.9156 5.9339 5.9339 6.9125 6.9125 6.9328 6.9328 7.1380 7.1380 7.1929 7.1929 8.2690 8.2690 8.2704 8.2704 9.8411 9.8411 9.9312 9.9312 12.2864 12.2864 12.3261 12.3261 13.5521 13.5521 13.6506 13.6506 k = 0.4010 0.4601 0.1392 ( 4280 PWs) bands (ev): -44.9822 -44.9822 -44.9822 -44.9822 -22.6947 -22.6947 -22.6607 -22.6607 -20.7118 -20.7118 -20.6566 -20.6566 -20.5222 -20.5222 -20.5138 -20.5138 -2.5118 -2.5118 -2.4517 -2.4517 -2.2175 -2.2175 -2.2168 -2.2168 4.7463 4.7463 4.7762 4.7762 4.7881 4.7881 4.8054 4.8054 5.9204 5.9204 5.9383 5.9383 6.9386 6.9386 6.9438 6.9438 7.0544 7.0544 7.0911 7.0911 8.2558 8.2558 8.2584 8.2584 9.8657 9.8657 9.9572 9.9572 12.2335 12.2335 12.2696 12.2696 13.5682 13.5682 13.6584 13.6584 k = 0.3958 0.4691 0.1392 ( 4288 PWs) bands (ev): -44.9820 -44.9820 -44.9820 -44.9820 -22.6958 -22.6958 -22.6606 -22.6606 -20.7125 -20.7125 -20.6540 -20.6540 -20.5263 -20.5263 -20.5162 -20.5162 -2.5020 -2.5020 -2.4397 -2.4397 -2.2136 -2.2136 -2.2128 -2.2128 4.7367 4.7367 4.7540 4.7540 4.8180 4.8180 4.8493 4.8493 5.9256 5.9256 5.9426 5.9426 6.9003 6.9003 6.9553 6.9553 6.9990 6.9990 7.0261 7.0261 8.2410 8.2410 8.2448 8.2448 9.8919 9.8919 9.9849 9.9849 12.1795 12.1795 12.2120 12.2120 13.5790 13.5790 13.6603 13.6603 k = 0.3906 0.4781 0.1392 ( 4286 PWs) bands (ev): -44.9818 -44.9818 -44.9818 -44.9818 -22.6968 -22.6968 -22.6605 -22.6605 -20.7131 -20.7131 -20.6515 -20.6515 -20.5302 -20.5302 -20.5185 -20.5185 -2.4922 -2.4922 -2.4279 -2.4279 -2.2099 -2.2099 -2.2090 -2.2090 4.7087 4.7087 4.7244 4.7244 4.8694 4.8694 4.9036 4.9036 5.9309 5.9309 5.9464 5.9464 6.8142 6.8142 6.8806 6.8806 6.9991 6.9991 7.0417 7.0417 8.2246 8.2246 8.2298 8.2298 9.9198 9.9198 10.0144 10.0144 12.1249 12.1249 12.1538 12.1538 13.5852 13.5852 13.6577 13.6577 k = 0.3854 0.4871 0.1392 ( 4274 PWs) bands (ev): -44.9814 -44.9814 -44.9814 -44.9814 -22.6977 -22.6977 -22.6604 -22.6604 -20.7138 -20.7138 -20.6491 -20.6491 -20.5341 -20.5341 -20.5206 -20.5206 -2.4828 -2.4828 -2.4164 -2.4164 -2.2064 -2.2064 -2.2054 -2.2054 4.6807 4.6807 4.6959 4.6959 4.9241 4.9241 4.9599 4.9599 5.9363 5.9363 5.9495 5.9495 6.7218 6.7218 6.7824 6.7824 7.0238 7.0238 7.0655 7.0655 8.2070 8.2070 8.2136 8.2136 9.9489 9.9489 10.0454 10.0454 12.0703 12.0703 12.0955 12.0955 13.5879 13.5879 13.6520 13.6520 k = 0.3802 0.4962 0.1392 ( 4278 PWs) bands (ev): -44.9812 -44.9812 -44.9812 -44.9812 -22.6986 -22.6986 -22.6604 -22.6604 -20.7145 -20.7145 -20.6468 -20.6468 -20.5378 -20.5378 -20.5225 -20.5225 -2.4737 -2.4737 -2.4055 -2.4055 -2.2032 -2.2032 -2.2020 -2.2020 4.6541 4.6541 4.6691 4.6691 4.9805 4.9805 5.0176 5.0176 5.9412 5.9412 5.9513 5.9513 6.6305 6.6305 6.6853 6.6853 7.0489 7.0489 7.0906 7.0906 8.1883 8.1883 8.1965 8.1965 9.9790 9.9790 10.0774 10.0774 12.0164 12.0164 12.0379 12.0379 13.5880 13.5880 13.6446 13.6446 k = 0.3750 0.5052 0.1392 ( 4278 PWs) bands (ev): -44.9810 -44.9810 -44.9810 -44.9810 -22.6994 -22.6994 -22.6604 -22.6604 -20.7152 -20.7152 -20.6446 -20.6446 -20.5413 -20.5413 -20.5243 -20.5243 -2.4650 -2.4650 -2.3952 -2.3952 -2.2002 -2.2002 -2.1989 -2.1989 4.6296 4.6296 4.6445 4.6445 5.0380 5.0380 5.0762 5.0762 5.9453 5.9453 5.9508 5.9508 6.5429 6.5429 6.5913 6.5913 7.0733 7.0733 7.1157 7.1157 8.1692 8.1692 8.1789 8.1789 10.0095 10.0095 10.1102 10.1102 11.9638 11.9638 11.9816 11.9816 13.5865 13.5865 13.6366 13.6366 k = 0.3698 0.5142 0.1392 ( 4270 PWs) bands (ev): -44.9808 -44.9808 -44.9808 -44.9808 -22.7002 -22.7002 -22.6604 -22.6604 -20.7159 -20.7159 -20.6426 -20.6426 -20.5445 -20.5445 -20.5258 -20.5258 -2.4569 -2.4569 -2.3856 -2.3856 -2.1975 -2.1975 -2.1961 -2.1961 4.6074 4.6074 4.6221 4.6221 5.0962 5.0962 5.1352 5.1352 5.9470 5.9470 5.9480 5.9480 6.4610 6.4610 6.5017 6.5017 7.0965 7.0965 7.1398 7.1398 8.1499 8.1499 8.1612 8.1612 10.0399 10.0399 10.1430 10.1430 11.9135 11.9135 11.9276 11.9276 13.5844 13.5844 13.6289 13.6289 k = 0.3646 0.5232 0.1392 ( 4266 PWs) bands (ev): -44.9806 -44.9806 -44.9806 -44.9806 -22.7009 -22.7009 -22.6605 -22.6605 -20.7165 -20.7165 -20.6407 -20.6407 -20.5475 -20.5475 -20.5271 -20.5271 -2.4496 -2.4496 -2.3769 -2.3769 -2.1952 -2.1952 -2.1936 -2.1936 4.5877 4.5877 4.6023 4.6023 5.1545 5.1545 5.1940 5.1940 5.9384 5.9384 5.9481 5.9481 6.3872 6.3872 6.4182 6.4182 7.1181 7.1181 7.1624 7.1624 8.1310 8.1310 8.1440 8.1440 10.0695 10.0695 10.1751 10.1751 11.8664 11.8664 11.8768 11.8768 13.5821 13.5821 13.6219 13.6219 k = 0.3594 0.5322 0.1392 ( 4268 PWs) bands (ev): -44.9804 -44.9804 -44.9804 -44.9804 -22.7015 -22.7015 -22.6606 -22.6606 -20.7171 -20.7171 -20.6391 -20.6391 -20.5501 -20.5501 -20.5282 -20.5282 -2.4430 -2.4430 -2.3691 -2.3691 -2.1933 -2.1933 -2.1914 -2.1914 4.5706 4.5706 4.5852 4.5852 5.2120 5.2120 5.2518 5.2518 5.9232 5.9232 5.9444 5.9444 6.3244 6.3244 6.3433 6.3433 7.1375 7.1375 7.1829 7.1829 8.1132 8.1132 8.1278 8.1278 10.0972 10.0972 10.2054 10.2054 11.8235 11.8235 11.8303 11.8303 13.5801 13.5801 13.6161 13.6161 k = 0.3542 0.5413 0.1392 ( 4268 PWs) bands (ev): -44.9803 -44.9803 -44.9803 -44.9803 -22.7020 -22.7020 -22.6606 -22.6606 -20.7176 -20.7176 -20.6378 -20.6378 -20.5522 -20.5522 -20.5291 -20.5291 -2.4374 -2.4374 -2.3625 -2.3625 -2.1916 -2.1916 -2.1897 -2.1897 4.5565 4.5565 4.5710 4.5710 5.2675 5.2675 5.3071 5.3071 5.9001 5.9001 5.9350 5.9350 6.2749 6.2749 6.2801 6.2801 7.1543 7.1543 7.2009 7.2009 8.0972 8.0972 8.1133 8.1133 10.1223 10.1223 10.2330 10.2330 11.7859 11.7859 11.7894 11.7894 13.5787 13.5787 13.6116 13.6116 k = 0.3490 0.5503 0.1392 ( 4268 PWs) bands (ev): -44.9802 -44.9802 -44.9802 -44.9802 -22.7024 -22.7024 -22.6607 -22.6607 -20.7180 -20.7180 -20.6368 -20.6368 -20.5540 -20.5540 -20.5298 -20.5298 -2.4328 -2.4328 -2.3571 -2.3571 -2.1904 -2.1904 -2.1883 -2.1883 4.5453 4.5453 4.5597 4.5597 5.3190 5.3190 5.3580 5.3580 5.8703 5.8703 5.9189 5.9189 6.2319 6.2319 6.2399 6.2399 7.1680 7.1680 7.2157 7.2157 8.0836 8.0836 8.1010 8.1010 10.1436 10.1436 10.2566 10.2566 11.7548 11.7548 11.7554 11.7554 13.5778 13.5778 13.6084 13.6084 k = 0.3438 0.5593 0.1392 ( 4268 PWs) bands (ev): -44.9801 -44.9801 -44.9801 -44.9801 -22.7027 -22.7027 -22.6608 -22.6608 -20.7184 -20.7184 -20.6360 -20.6360 -20.5552 -20.5552 -20.5303 -20.5303 -2.4294 -2.4294 -2.3531 -2.3531 -2.1895 -2.1895 -2.1872 -2.1872 4.5371 4.5371 4.5516 4.5516 5.3630 5.3630 5.4009 5.4009 5.8385 5.8385 5.8981 5.8981 6.2001 6.2001 6.2182 6.2182 7.1782 7.1782 7.2267 7.2267 8.0732 8.0732 8.0916 8.0916 10.1600 10.1600 10.2748 10.2748 11.7297 11.7297 11.7314 11.7314 13.5775 13.5775 13.6064 13.6064 k = 0.3385 0.5683 0.1392 ( 4284 PWs) bands (ev): -44.9802 -44.9802 -44.9802 -44.9802 -22.7029 -22.7029 -22.6608 -22.6608 -20.7186 -20.7186 -20.6356 -20.6356 -20.5559 -20.5559 -20.5306 -20.5306 -2.4272 -2.4272 -2.3506 -2.3506 -2.1890 -2.1890 -2.1866 -2.1866 4.5322 4.5322 4.5466 4.5466 5.3941 5.3941 5.4308 5.4308 5.8128 5.8128 5.8790 5.8790 6.1835 6.1835 6.2070 6.2070 7.1845 7.1845 7.2335 7.2335 8.0666 8.0666 8.0856 8.0856 10.1703 10.1703 10.2864 10.2864 11.7136 11.7136 11.7167 11.7167 13.5776 13.5776 13.6054 13.6054 k = 0.3333 0.5774 0.1392 ( 4284 PWs) bands (ev): -44.9802 -44.9802 -44.9802 -44.9802 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3498 -2.3498 -2.1888 -2.1888 -2.1864 -2.1864 4.5305 4.5305 4.5449 4.5449 5.4056 5.4056 5.4418 5.4418 5.8026 5.8026 5.8710 5.8710 6.1786 6.1786 6.2038 6.2038 7.1866 7.1866 7.2359 7.2359 8.0643 8.0643 8.0835 8.0835 10.1740 10.1740 10.2905 10.2905 11.7081 11.7081 11.7117 11.7117 13.5777 13.5777 13.6052 13.6052 k = 0.3333 0.5774 0.1392 ( 4284 PWs) bands (ev): -44.9802 -44.9802 -44.9802 -44.9802 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3498 -2.3498 -2.1888 -2.1888 -2.1864 -2.1864 4.5305 4.5305 4.5449 4.5449 5.4056 5.4056 5.4418 5.4418 5.8026 5.8026 5.8710 5.8710 6.1786 6.1786 6.2038 6.2038 7.1866 7.1866 7.2359 7.2359 8.0643 8.0643 8.0835 8.0835 10.1740 10.1740 10.2905 10.2905 11.7081 11.7081 11.7117 11.7117 13.5777 13.5777 13.6052 13.6052 k = 0.3281 0.5683 0.1392 ( 4276 PWs) bands (ev): -44.9801 -44.9801 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7186 -20.7186 -20.6356 -20.6356 -20.5559 -20.5559 -20.5306 -20.5306 -2.4273 -2.4273 -2.3507 -2.3507 -2.1890 -2.1890 -2.1866 -2.1866 4.5322 4.5322 4.5466 4.5466 5.3942 5.3942 5.4308 5.4308 5.8132 5.8132 5.8798 5.8798 6.1827 6.1827 6.2065 6.2065 7.1845 7.1845 7.2335 7.2335 8.0666 8.0666 8.0857 8.0857 10.1702 10.1702 10.2863 10.2863 11.7137 11.7137 11.7168 11.7168 13.5774 13.5774 13.6053 13.6053 k = 0.3229 0.5593 0.1392 ( 4278 PWs) bands (ev): -44.9802 -44.9802 -44.9802 -44.9802 -22.7027 -22.7027 -22.6607 -22.6607 -20.7183 -20.7183 -20.6359 -20.6359 -20.5553 -20.5553 -20.5303 -20.5303 -2.4296 -2.4296 -2.3534 -2.3534 -2.1895 -2.1895 -2.1873 -2.1873 4.5373 4.5373 4.5517 4.5517 5.3635 5.3635 5.4008 5.4008 5.8419 5.8419 5.9042 5.9042 6.1940 6.1940 6.2141 6.2141 7.1781 7.1781 7.2266 7.2266 8.0737 8.0737 8.0921 8.0921 10.1590 10.1590 10.2737 10.2737 11.7306 11.7306 11.7322 11.7322 13.5764 13.5764 13.6053 13.6053 k = 0.3177 0.5503 0.1392 ( 4274 PWs) bands (ev): -44.9803 -44.9803 -44.9803 -44.9803 -22.7023 -22.7023 -22.6606 -22.6606 -20.7179 -20.7179 -20.6364 -20.6364 -20.5542 -20.5542 -20.5299 -20.5299 -2.4337 -2.4337 -2.3581 -2.3581 -2.1904 -2.1904 -2.1883 -2.1883 4.5458 4.5458 4.5602 4.5602 5.3209 5.3209 5.3583 5.3583 5.8818 5.8818 5.9381 5.9381 6.2123 6.2123 6.2264 6.2264 7.1678 7.1678 7.2154 7.2154 8.0855 8.0855 8.1028 8.1028 10.1405 10.1405 10.2531 10.2531 11.7575 11.7575 11.7583 11.7583 13.5739 13.5739 13.6046 13.6046 k = 0.3125 0.5413 0.1392 ( 4278 PWs) bands (ev): -44.9804 -44.9804 -44.9804 -44.9804 -22.7018 -22.7018 -22.6605 -22.6605 -20.7172 -20.7172 -20.6371 -20.6371 -20.5527 -20.5527 -20.5293 -20.5293 -2.4395 -2.4395 -2.3647 -2.3647 -2.1917 -2.1917 -2.1898 -2.1898 4.5577 4.5577 4.5722 4.5722 5.2722 5.2722 5.3089 5.3089 5.9264 5.9264 5.9750 5.9750 6.2379 6.2379 6.2436 6.2436 7.1539 7.1539 7.2004 7.2004 8.1015 8.1015 8.1175 8.1175 10.1152 10.1152 10.2253 10.2253 11.7920 11.7920 11.7959 11.7959 13.5695 13.5695 13.6028 13.6028 k = 0.3073 0.5322 0.1392 ( 4272 PWs) bands (ev): -44.9806 -44.9806 -44.9805 -44.9805 -22.7012 -22.7012 -22.6602 -22.6602 -20.7163 -20.7163 -20.6377 -20.6377 -20.5510 -20.5510 -20.5286 -20.5286 -2.4471 -2.4471 -2.3734 -2.3734 -2.1933 -2.1933 -2.1917 -2.1917 4.5730 4.5730 4.5875 4.5875 5.2213 5.2213 5.2567 5.2567 5.9708 5.9708 6.0100 6.0100 6.2669 6.2669 6.2719 6.2719 7.1370 7.1370 7.1822 7.1822 8.1215 8.1215 8.1358 8.1358 10.0841 10.0841 10.1911 10.1911 11.8348 11.8348 11.8422 11.8422 13.5624 13.5624 13.5991 13.5991 k = 0.3021 0.5232 0.1392 ( 4272 PWs) bands (ev): -44.9808 -44.9808 -44.9808 -44.9808 -22.7004 -22.7004 -22.6599 -22.6599 -20.7151 -20.7151 -20.6384 -20.6384 -20.5490 -20.5490 -20.5278 -20.5278 -2.4566 -2.4566 -2.3841 -2.3841 -2.1954 -2.1954 -2.1940 -2.1940 4.5917 4.5917 4.6063 4.6063 5.1704 5.1704 5.2040 5.2040 6.0114 6.0114 6.0404 6.0404 6.2973 6.2973 6.3144 6.3144 7.1177 7.1177 7.1616 7.1616 8.1449 8.1449 8.1575 8.1575 10.0480 10.0480 10.1519 10.1519 11.8846 11.8846 11.8958 11.8958 13.5520 13.5520 13.5928 13.5928 k = 0.2969 0.5142 0.1392 ( 4276 PWs) bands (ev): -44.9810 -44.9810 -44.9810 -44.9810 -22.6994 -22.6994 -22.6595 -22.6595 -20.7137 -20.7137 -20.6390 -20.6390 -20.5467 -20.5467 -20.5269 -20.5269 -2.4681 -2.4681 -2.3969 -2.3969 -2.1979 -2.1979 -2.1968 -2.1968 4.6137 4.6137 4.6284 4.6284 5.1211 5.1211 5.1525 5.1525 6.0457 6.0457 6.0652 6.0652 6.3358 6.3358 6.3646 6.3646 7.0967 7.0967 7.1391 7.1391 8.1711 8.1711 8.1819 8.1819 10.0080 10.0080 10.1087 10.1087 11.9403 11.9403 11.9553 11.9553 13.5376 13.5376 13.5833 13.5833 k = 0.2917 0.5052 0.1392 ( 4282 PWs) bands (ev): -44.9814 -44.9814 -44.9814 -44.9814 -22.6983 -22.6983 -22.6590 -22.6590 -20.7120 -20.7120 -20.6396 -20.6396 -20.5443 -20.5443 -20.5258 -20.5258 -2.4814 -2.4814 -2.4118 -2.4118 -2.2009 -2.2009 -2.2000 -2.2000 4.6390 4.6390 4.6537 4.6537 5.0741 5.0741 5.1032 5.1032 6.0729 6.0729 6.0847 6.0847 6.3821 6.3821 6.4210 6.4210 7.0745 7.0745 7.1157 7.1157 8.1998 8.1998 8.2087 8.2087 9.9650 9.9650 10.0627 10.0627 12.0005 12.0005 12.0192 12.0192 13.5188 13.5188 13.5699 13.5699 k = 0.2865 0.4962 0.1392 ( 4284 PWs) bands (ev): -44.9817 -44.9817 -44.9817 -44.9817 -22.6970 -22.6970 -22.6584 -22.6584 -20.7101 -20.7101 -20.6400 -20.6400 -20.5418 -20.5418 -20.5247 -20.5247 -2.4968 -2.4968 -2.4288 -2.4288 -2.2044 -2.2044 -2.2037 -2.2037 4.6672 4.6672 4.6819 4.6819 5.0303 5.0303 5.0570 5.0570 6.0934 6.0934 6.0999 6.0999 6.4349 6.4349 6.4816 6.4816 7.0520 7.0520 7.0918 7.0918 8.2304 8.2304 8.2375 8.2375 9.9200 9.9200 10.0148 10.0148 12.0640 12.0640 12.0862 12.0862 13.4950 13.4950 13.5520 13.5520 k = 0.2812 0.4871 0.1392 ( 4286 PWs) bands (ev): -44.9821 -44.9821 -44.9821 -44.9821 -22.6955 -22.6955 -22.6577 -22.6577 -20.7078 -20.7078 -20.6402 -20.6402 -20.5391 -20.5391 -20.5235 -20.5235 -2.5140 -2.5140 -2.4478 -2.4478 -2.2084 -2.2084 -2.2079 -2.2079 4.6982 4.6982 4.7128 4.7128 4.9903 4.9903 5.0146 5.0146 6.1082 6.1082 6.1116 6.1116 6.4924 6.4924 6.5448 6.5448 7.0298 7.0298 7.0683 7.0683 8.2625 8.2625 8.2679 8.2679 9.8739 9.8739 9.9659 9.9659 12.1297 12.1297 12.1551 12.1551 13.4661 13.4661 13.5292 13.5292 k = 0.2760 0.4781 0.1392 ( 4290 PWs) bands (ev): -44.9826 -44.9826 -44.9826 -44.9826 -22.6939 -22.6939 -22.6569 -22.6569 -20.7053 -20.7053 -20.6402 -20.6402 -20.5364 -20.5364 -20.5222 -20.5222 -2.5333 -2.5333 -2.4689 -2.4689 -2.2128 -2.2128 -2.2125 -2.2125 4.7311 4.7311 4.7453 4.7453 4.9550 4.9550 4.9770 4.9770 6.1186 6.1186 6.1202 6.1202 6.5526 6.5526 6.6090 6.6090 7.0089 7.0089 7.0459 7.0459 8.2958 8.2958 8.2996 8.2996 9.8273 9.8273 9.9168 9.9168 12.1963 12.1963 12.2245 12.2245 13.4322 13.4322 13.5012 13.5012 k = 0.2708 0.4691 0.1392 ( 4290 PWs) bands (ev): -44.9831 -44.9831 -44.9831 -44.9831 -22.6921 -22.6921 -22.6560 -22.6560 -20.7024 -20.7024 -20.6400 -20.6400 -20.5336 -20.5336 -20.5208 -20.5208 -2.5544 -2.5544 -2.4920 -2.4920 -2.2179 -2.2179 -2.2176 -2.2176 4.7641 4.7641 4.7775 4.7775 4.9264 4.9264 4.9466 4.9466 6.1252 6.1252 6.1263 6.1263 6.6140 6.6140 6.6725 6.6725 6.9904 6.9904 7.0253 7.0253 8.3301 8.3301 8.3322 8.3322 9.7809 9.7809 9.8681 9.8681 12.2629 12.2629 12.2935 12.2935 13.3934 13.3934 13.4679 13.4679 k = 0.2656 0.4601 0.1392 ( 4294 PWs) bands (ev): -44.9836 -44.9836 -44.9836 -44.9836 -22.6901 -22.6901 -22.6549 -22.6549 -20.6993 -20.6993 -20.6396 -20.6396 -20.5307 -20.5307 -20.5194 -20.5194 -2.5775 -2.5775 -2.5170 -2.5170 -2.2234 -2.2234 -2.2232 -2.2232 4.7922 4.7922 4.8037 4.8037 4.9095 4.9095 4.9290 4.9290 6.1287 6.1287 6.1300 6.1300 6.6747 6.6747 6.7330 6.7330 6.9766 6.9766 7.0079 7.0079 8.3649 8.3649 8.3655 8.3655 9.7353 9.7353 9.8204 9.8204 12.3283 12.3283 12.3608 12.3608 13.3505 13.3505 13.4296 13.4296 k = 0.2604 0.4511 0.1392 ( 4286 PWs) bands (ev): -44.9841 -44.9841 -44.9841 -44.9841 -22.6879 -22.6879 -22.6537 -22.6537 -20.6958 -20.6958 -20.6389 -20.6389 -20.5278 -20.5278 -20.5180 -20.5180 -2.6024 -2.6024 -2.5440 -2.5440 -2.2294 -2.2294 -2.2293 -2.2293 4.8046 4.8046 4.8131 4.8131 4.9149 4.9149 4.9348 4.9348 6.1296 6.1296 6.1314 6.1314 6.7322 6.7322 6.7857 6.7857 6.9719 6.9719 6.9956 6.9956 8.3993 8.3993 8.4001 8.4001 9.6910 9.6910 9.7742 9.7742 12.3916 12.3916 12.4254 12.4254 13.3043 13.3043 13.3870 13.3870 k = 0.2552 0.4420 0.1392 ( 4278 PWs) bands (ev): -44.9847 -44.9847 -44.9847 -44.9847 -22.6856 -22.6856 -22.6524 -22.6524 -20.6921 -20.6921 -20.6380 -20.6380 -20.5249 -20.5249 -20.5165 -20.5165 -2.6292 -2.6292 -2.5728 -2.5728 -2.2359 -2.2359 -2.2358 -2.2358 4.7991 4.7991 4.8048 4.8048 4.9450 4.9450 4.9650 4.9650 6.1279 6.1279 6.1307 6.1307 6.7826 6.7826 6.8221 6.8221 6.9846 6.9846 6.9920 6.9920 8.4333 8.4333 8.4356 8.4356 9.6485 9.6485 9.7299 9.7299 12.4517 12.4517 12.4861 12.4861 13.2557 13.2557 13.3407 13.3407 k = 0.2500 0.4330 0.1392 ( 4274 PWs) bands (ev): -44.9853 -44.9853 -44.9853 -44.9853 -22.6830 -22.6830 -22.6510 -22.6510 -20.6880 -20.6880 -20.6367 -20.6367 -20.5220 -20.5220 -20.5149 -20.5149 -2.6577 -2.6577 -2.6035 -2.6035 -2.2428 -2.2428 -2.2427 -2.2427 4.7866 4.7866 4.7898 4.7898 4.9884 4.9884 5.0084 5.0084 6.1242 6.1242 6.1280 6.1280 6.8195 6.8195 6.8371 6.8371 7.0031 7.0031 7.0196 7.0196 8.4675 8.4675 8.4710 8.4710 9.6082 9.6082 9.6879 9.6879 12.5078 12.5078 12.5417 12.5417 13.2060 13.2060 13.2918 13.2918 k = 0.2448 0.4240 0.1392 ( 4274 PWs) bands (ev): -44.9860 -44.9860 -44.9860 -44.9860 -22.6804 -22.6804 -22.6494 -22.6494 -20.6837 -20.6837 -20.6352 -20.6352 -20.5190 -20.5190 -20.5134 -20.5134 -2.6880 -2.6880 -2.6359 -2.6359 -2.2502 -2.2502 -2.2501 -2.2501 4.7737 4.7737 4.7743 4.7743 5.0384 5.0384 5.0585 5.0585 6.1185 6.1185 6.1235 6.1235 6.8376 6.8376 6.8389 6.8389 7.0329 7.0329 7.0699 7.0699 8.5016 8.5016 8.5064 8.5064 9.5704 9.5704 9.6486 9.6486 12.5588 12.5588 12.5909 12.5909 13.1566 13.1566 13.2415 13.2415 k = 0.2396 0.4150 0.1392 ( 4274 PWs) bands (ev): -44.9868 -44.9868 -44.9868 -44.9868 -22.6775 -22.6775 -22.6477 -22.6477 -20.6790 -20.6790 -20.6335 -20.6335 -20.5161 -20.5161 -20.5117 -20.5117 -2.7199 -2.7199 -2.6700 -2.6700 -2.2580 -2.2580 -2.2579 -2.2579 4.7606 4.7606 4.7627 4.7627 5.0924 5.0924 5.1128 5.1128 6.1111 6.1111 6.1174 6.1174 6.8321 6.8321 6.8444 6.8444 7.0771 7.0771 7.1265 7.1265 8.5354 8.5354 8.5414 8.5414 9.5355 9.5355 9.6122 9.6122 12.6037 12.6037 12.6324 12.6324 13.1092 13.1092 13.1910 13.1910 k = 0.2344 0.4059 0.1392 ( 4284 PWs) bands (ev): -44.9876 -44.9876 -44.9876 -44.9876 -22.6745 -22.6745 -22.6458 -22.6458 -20.6741 -20.6741 -20.6314 -20.6314 -20.5132 -20.5132 -20.5101 -20.5101 -2.7533 -2.7533 -2.7057 -2.7057 -2.2661 -2.2661 -2.2660 -2.2660 4.7495 4.7495 4.7542 4.7542 5.1494 5.1494 5.1702 5.1702 6.1025 6.1025 6.1099 6.1099 6.8250 6.8250 6.8431 6.8431 7.1284 7.1284 7.1849 7.1849 8.5690 8.5690 8.5761 8.5761 9.5039 9.5039 9.5791 9.5791 12.6417 12.6417 12.6643 12.6643 13.0657 13.0657 13.1418 13.1418 k = 0.2292 0.3969 0.1392 ( 4284 PWs) bands (ev): -44.9885 -44.9885 -44.9885 -44.9885 -22.6714 -22.6714 -22.6439 -22.6439 -20.6689 -20.6689 -20.6291 -20.6291 -20.5102 -20.5102 -20.5084 -20.5084 -2.7883 -2.7883 -2.7429 -2.7429 -2.2746 -2.2746 -2.2745 -2.2745 4.7412 4.7412 4.7484 4.7484 5.2087 5.2087 5.2299 5.2299 6.0931 6.0931 6.1016 6.1016 6.8181 6.8181 6.8393 6.8393 7.1821 7.1821 7.2427 7.2427 8.6021 8.6021 8.6103 8.6103 9.4758 9.4758 9.5496 9.5496 12.6715 12.6715 12.6848 12.6848 13.0282 13.0282 13.0954 13.0954 k = 0.2240 0.3879 0.1392 ( 4276 PWs) bands (ev): -44.9893 -44.9893 -44.9893 -44.9893 -22.6681 -22.6681 -22.6417 -22.6417 -20.6635 -20.6635 -20.6264 -20.6264 -20.5073 -20.5073 -20.5067 -20.5067 -2.8247 -2.8247 -2.7815 -2.7815 -2.2835 -2.2835 -2.2833 -2.2833 4.7357 4.7357 4.7454 4.7454 5.2697 5.2697 5.2915 5.2915 6.0833 6.0833 6.0928 6.0928 6.8121 6.8121 6.8352 6.8352 7.2357 7.2357 7.2989 7.2989 8.6346 8.6346 8.6439 8.6439 9.4516 9.4516 9.5240 9.5240 12.6921 12.6921 12.6927 12.6927 12.9983 12.9983 13.0533 13.0533 k = 0.2188 0.3789 0.1392 ( 4276 PWs) bands (ev): -44.9902 -44.9902 -44.9902 -44.9902 -22.6646 -22.6646 -22.6395 -22.6395 -20.6578 -20.6578 -20.6236 -20.6236 -20.5050 -20.5050 -20.5044 -20.5044 -2.8624 -2.8624 -2.8214 -2.8214 -2.2926 -2.2926 -2.2924 -2.2924 4.7329 4.7329 4.7450 4.7450 5.3319 5.3319 5.3541 5.3541 6.0738 6.0738 6.0843 6.0843 6.8075 6.8075 6.8317 6.8317 7.2877 7.2877 7.3526 7.3526 8.6664 8.6664 8.6766 8.6766 9.4316 9.4316 9.5025 9.5025 12.6879 12.6879 12.7029 12.7029 12.9764 12.9764 13.0167 13.0167 k = 0.2135 0.3699 0.1392 ( 4272 PWs) bands (ev): -44.9911 -44.9911 -44.9911 -44.9911 -22.6611 -22.6611 -22.6372 -22.6372 -20.6519 -20.6519 -20.6204 -20.6204 -20.5032 -20.5032 -20.5015 -20.5015 -2.9013 -2.9013 -2.8625 -2.8625 -2.3020 -2.3020 -2.3017 -2.3017 4.7327 4.7327 4.7470 4.7470 5.3944 5.3944 5.4172 5.4172 6.0654 6.0654 6.0769 6.0769 6.8044 6.8044 6.8294 6.8294 7.3371 7.3371 7.4031 7.4031 8.6973 8.6973 8.7085 8.7085 9.4163 9.4163 9.4856 9.4856 12.6729 12.6729 12.7036 12.7036 12.9606 12.9606 12.9862 12.9862 k = 0.2083 0.3608 0.1392 ( 4260 PWs) bands (ev): -44.9920 -44.9920 -44.9920 -44.9920 -22.6574 -22.6574 -22.6347 -22.6347 -20.6458 -20.6458 -20.6171 -20.6171 -20.5014 -20.5014 -20.4985 -20.4985 -2.9413 -2.9413 -2.9047 -2.9047 -2.3116 -2.3116 -2.3113 -2.3113 4.7347 4.7347 4.7511 4.7511 5.4565 5.4565 5.4797 5.4797 6.0594 6.0594 6.0718 6.0718 6.8031 6.8031 6.8286 6.8286 7.3833 7.3833 7.4499 7.4499 8.7271 8.7271 8.7392 8.7392 9.4060 9.4060 9.4736 9.4736 12.6512 12.6512 12.6956 12.6956 12.9477 12.9477 12.9615 12.9615 k = 0.2031 0.3518 0.1392 ( 4254 PWs) bands (ev): -44.9930 -44.9930 -44.9930 -44.9930 -22.6536 -22.6536 -22.6321 -22.6321 -20.6395 -20.6395 -20.6134 -20.6134 -20.4995 -20.4995 -20.4956 -20.4956 -2.9823 -2.9823 -2.9479 -2.9479 -2.3214 -2.3214 -2.3211 -2.3211 4.7386 4.7386 4.7570 4.7570 5.5167 5.5167 5.5404 5.5404 6.0571 6.0571 6.0704 6.0704 6.8035 6.8035 6.8296 6.8296 7.4257 7.4257 7.4924 7.4924 8.7556 8.7556 8.7687 8.7687 9.4012 9.4012 9.4668 9.4668 12.6265 12.6265 12.6809 12.6809 12.9351 12.9351 12.9409 12.9409 k = 0.1979 0.3428 0.1392 ( 4254 PWs) bands (ev): -44.9940 -44.9940 -44.9940 -44.9940 -22.6497 -22.6497 -22.6294 -22.6294 -20.6331 -20.6331 -20.6096 -20.6096 -20.4976 -20.4976 -20.4927 -20.4927 -3.0242 -3.0242 -2.9919 -2.9919 -2.3314 -2.3314 -2.3310 -2.3310 4.7442 4.7442 4.7643 4.7643 5.5735 5.5735 5.5973 5.5973 6.0604 6.0604 6.0748 6.0748 6.8059 6.8059 6.8324 6.8324 7.4636 7.4636 7.5300 7.5300 8.7826 8.7826 8.7967 8.7967 9.4022 9.4022 9.4656 9.4656 12.6016 12.6016 12.6627 12.6627 12.9209 12.9209 12.9224 12.9224 k = 0.1927 0.3338 0.1392 ( 4262 PWs) bands (ev): -44.9952 -44.9952 -44.9951 -44.9951 -22.6457 -22.6457 -22.6266 -22.6266 -20.6265 -20.6265 -20.6056 -20.6056 -20.4956 -20.4956 -20.4897 -20.4897 -3.0668 -3.0668 -3.0366 -3.0366 -2.3415 -2.3415 -2.3411 -2.3411 4.7509 4.7509 4.7724 4.7724 5.6248 5.6248 5.6484 5.6484 6.0717 6.0717 6.0873 6.0873 6.8103 6.8103 6.8372 6.8372 7.4968 7.4968 7.5625 7.5625 8.8078 8.8078 8.8229 8.8229 9.4095 9.4095 9.4704 9.4704 12.5782 12.5782 12.6432 12.6432 12.9044 12.9044 12.9045 12.9045 k = 0.1875 0.3248 0.1392 ( 4278 PWs) bands (ev): -44.9964 -44.9964 -44.9964 -44.9964 -22.6417 -22.6417 -22.6238 -22.6238 -20.6198 -20.6198 -20.6014 -20.6014 -20.4935 -20.4935 -20.4867 -20.4867 -3.1102 -3.1102 -3.0820 -3.0820 -2.3517 -2.3517 -2.3514 -2.3514 4.7583 4.7583 4.7809 4.7809 5.6686 5.6686 5.6915 5.6915 6.0931 6.0931 6.1105 6.1105 6.8169 6.8169 6.8443 6.8443 7.5246 7.5246 7.5894 7.5894 8.8312 8.8312 8.8473 8.8473 9.4234 9.4234 9.4815 9.4815 12.5576 12.5576 12.6247 12.6247 12.8855 12.8855 12.8861 12.8861 k = 0.1823 0.3157 0.1392 ( 4280 PWs) bands (ev): -44.9975 -44.9975 -44.9975 -44.9975 -22.6376 -22.6376 -22.6208 -22.6208 -20.6131 -20.6131 -20.5971 -20.5971 -20.4913 -20.4913 -20.4837 -20.4837 -3.1540 -3.1540 -3.1278 -3.1278 -2.3621 -2.3621 -2.3617 -2.3617 4.7658 4.7658 4.7893 4.7893 5.7040 5.7040 5.7256 5.7256 6.1263 6.1263 6.1456 6.1456 6.8258 6.8258 6.8538 6.8538 7.5471 7.5471 7.6105 7.6105 8.8526 8.8526 8.8697 8.8697 9.4440 9.4440 9.4990 9.4990 12.5405 12.5405 12.6083 12.6083 12.8645 12.8645 12.8668 12.8668 k = 0.1771 0.3067 0.1392 ( 4272 PWs) bands (ev): -44.9986 -44.9986 -44.9986 -44.9986 -22.6335 -22.6335 -22.6178 -22.6178 -20.6063 -20.6063 -20.5926 -20.5926 -20.4889 -20.4889 -20.4806 -20.4806 -3.1983 -3.1983 -3.1740 -3.1740 -2.3724 -2.3724 -2.3720 -2.3720 4.7728 4.7728 4.7969 4.7969 5.7313 5.7313 5.7513 5.7513 6.1709 6.1709 6.1924 6.1924 6.8372 6.8372 6.8658 6.8658 7.5638 7.5638 7.6256 7.6256 8.8720 8.8720 8.8901 8.8901 9.4712 9.4712 9.5230 9.5230 12.5272 12.5272 12.5950 12.5950 12.8420 12.8420 12.8468 12.8468 k = 0.1719 0.2977 0.1392 ( 4272 PWs) bands (ev): -44.9997 -44.9997 -44.9997 -44.9997 -22.6293 -22.6293 -22.6147 -22.6147 -20.5995 -20.5995 -20.5881 -20.5881 -20.4865 -20.4865 -20.4774 -20.4774 -3.2428 -3.2428 -3.2204 -3.2204 -2.3828 -2.3828 -2.3824 -2.3824 4.7788 4.7788 4.8030 4.8030 5.7526 5.7526 5.7707 5.7707 6.2253 6.2253 6.2490 6.2490 6.8513 6.8513 6.8806 6.8806 7.5748 7.5748 7.6347 7.6347 8.8894 8.8894 8.9085 8.9085 9.5049 9.5049 9.5533 9.5533 12.5181 12.5181 12.5851 12.5851 12.8187 12.8187 12.8263 12.8263 k = 0.1667 0.2887 0.1392 ( 4268 PWs) bands (ev): -45.0009 -45.0009 -45.0009 -45.0009 -22.6251 -22.6251 -22.6116 -22.6116 -20.5928 -20.5928 -20.5834 -20.5834 -20.4838 -20.4838 -20.4742 -20.4742 -3.2876 -3.2876 -3.2669 -3.2669 -2.3932 -2.3932 -2.3929 -2.3929 4.7832 4.7832 4.8072 4.8072 5.7706 5.7706 5.7867 5.7867 6.2871 6.2871 6.3129 6.3129 6.8684 6.8684 6.8983 6.8983 7.5802 7.5802 7.6379 7.6379 8.9049 8.9049 8.9248 8.9248 9.5448 9.5448 9.5897 9.5897 12.5131 12.5131 12.5788 12.5788 12.7952 12.7952 12.8058 12.8058 k = 0.1615 0.2797 0.1392 ( 4268 PWs) bands (ev): -45.0021 -45.0021 -45.0021 -45.0021 -22.6209 -22.6209 -22.6084 -22.6084 -20.5862 -20.5862 -20.5788 -20.5788 -20.4810 -20.4810 -20.4708 -20.4708 -3.3324 -3.3324 -3.3134 -3.3134 -2.4036 -2.4036 -2.4032 -2.4032 4.7854 4.7854 4.8087 4.8087 5.7877 5.7877 5.8017 5.8017 6.3540 6.3540 6.3817 6.3817 6.8886 6.8886 6.9192 6.9192 7.5802 7.5802 7.6355 7.6355 8.9187 8.9187 8.9393 8.9393 9.5903 9.5903 9.6318 9.6318 12.5122 12.5122 12.5763 12.5763 12.7721 12.7721 12.7858 12.7858 k = 0.1562 0.2706 0.1392 ( 4268 PWs) bands (ev): -45.0032 -45.0032 -45.0032 -45.0032 -22.6167 -22.6167 -22.6052 -22.6052 -20.5798 -20.5798 -20.5742 -20.5742 -20.4779 -20.4779 -20.4673 -20.4673 -3.3771 -3.3771 -3.3597 -3.3597 -2.4139 -2.4139 -2.4136 -2.4136 4.7849 4.7849 4.8073 4.8073 5.8059 5.8059 5.8177 5.8177 6.4240 6.4240 6.4535 6.4535 6.9123 6.9123 6.9435 6.9435 7.5750 7.5750 7.6279 7.6279 8.9308 8.9308 8.9519 8.9519 9.6410 9.6410 9.6791 9.6791 12.5152 12.5152 12.5772 12.5772 12.7501 12.7501 12.7669 12.7669 k = 0.1510 0.2616 0.1392 ( 4264 PWs) bands (ev): -45.0044 -45.0044 -45.0044 -45.0044 -22.6125 -22.6125 -22.6020 -22.6020 -20.5736 -20.5736 -20.5696 -20.5696 -20.4746 -20.4746 -20.4637 -20.4637 -3.4217 -3.4217 -3.4058 -3.4058 -2.4242 -2.4242 -2.4239 -2.4239 4.7814 4.7814 4.8025 4.8025 5.8267 5.8267 5.8361 5.8361 6.4956 6.4956 6.5266 6.5266 6.9398 6.9398 6.9716 6.9716 7.5651 7.5651 7.6154 7.6154 8.9414 8.9414 8.9628 8.9628 9.6963 9.6963 9.7311 9.7311 12.5217 12.5217 12.5813 12.5813 12.7296 12.7296 12.7497 12.7497 k = 0.1458 0.2526 0.1392 ( 4264 PWs) bands (ev): -45.0056 -45.0056 -45.0056 -45.0056 -22.6083 -22.6083 -22.5987 -22.5987 -20.5677 -20.5677 -20.5651 -20.5651 -20.4710 -20.4710 -20.4599 -20.4599 -3.4659 -3.4659 -3.4515 -3.4515 -2.4344 -2.4344 -2.4340 -2.4340 4.7746 4.7746 4.7942 4.7942 5.8509 5.8509 5.8579 5.8579 6.5676 6.5676 6.5997 6.5997 6.9715 6.9715 7.0035 7.0035 7.5509 7.5509 7.5986 7.5986 8.9503 8.9503 8.9720 8.9720 9.7555 9.7555 9.7873 9.7873 12.5313 12.5313 12.5879 12.5879 12.7114 12.7114 12.7350 12.7350 k = 0.1406 0.2436 0.1392 ( 4264 PWs) bands (ev): -45.0068 -45.0068 -45.0068 -45.0068 -22.6042 -22.6042 -22.5955 -22.5955 -20.5621 -20.5621 -20.5607 -20.5607 -20.4670 -20.4670 -20.4560 -20.4560 -3.5098 -3.5098 -3.4968 -3.4968 -2.4444 -2.4444 -2.4441 -2.4441 4.7644 4.7644 4.7824 4.7824 5.8790 5.8790 5.8836 5.8836 6.6390 6.6390 6.6716 6.6716 7.0079 7.0079 7.0397 7.0397 7.5329 7.5329 7.5780 7.5780 8.9577 8.9577 8.9794 8.9794 9.8183 9.8183 9.8471 9.8471 12.5433 12.5433 12.5961 12.5961 12.6961 12.6961 12.7236 12.7236 k = 0.1354 0.2345 0.1392 ( 4268 PWs) bands (ev): -45.0080 -45.0080 -45.0080 -45.0080 -22.6002 -22.6002 -22.5923 -22.5923 -20.5568 -20.5568 -20.5565 -20.5565 -20.4628 -20.4628 -20.4519 -20.4519 -3.5531 -3.5531 -3.5414 -3.5414 -2.4543 -2.4543 -2.4540 -2.4540 4.7510 4.7510 4.7672 4.7672 5.9111 5.9111 5.9134 5.9134 6.7089 6.7089 6.7413 6.7413 7.0494 7.0494 7.0803 7.0803 7.5117 7.5117 7.5543 7.5543 8.9635 8.9635 8.9852 8.9852 9.8839 9.8839 9.9099 9.9099 12.5566 12.5566 12.6047 12.6047 12.6847 12.6847 12.7170 12.7170 k = 0.1302 0.2255 0.1392 ( 4264 PWs) bands (ev): -45.0092 -45.0092 -45.0092 -45.0092 -22.5962 -22.5962 -22.5891 -22.5891 -20.5524 -20.5524 -20.5519 -20.5519 -20.4582 -20.4582 -20.4476 -20.4476 -3.5958 -3.5958 -3.5853 -3.5853 -2.4641 -2.4641 -2.4638 -2.4638 4.7346 4.7346 4.7490 4.7490 5.9473 5.9473 5.9474 5.9474 6.7767 6.7767 6.8081 6.8081 7.0962 7.0962 7.1252 7.1252 7.4879 7.4879 7.5279 7.5279 8.9676 8.9676 8.9892 8.9892 9.9519 9.9519 9.9753 9.9753 12.5697 12.5697 12.6119 12.6119 12.6786 12.6786 12.7166 12.7166 k = 0.1250 0.2165 0.1392 ( 4266 PWs) bands (ev): -45.0103 -45.0103 -45.0103 -45.0103 -22.5923 -22.5923 -22.5859 -22.5859 -20.5486 -20.5486 -20.5474 -20.5474 -20.4533 -20.4533 -20.4431 -20.4431 -3.6378 -3.6378 -3.6284 -3.6284 -2.4736 -2.4736 -2.4734 -2.4734 4.7153 4.7153 4.7281 4.7281 5.9853 5.9853 5.9873 5.9873 6.8421 6.8421 6.8713 6.8713 7.1483 7.1483 7.1744 7.1744 7.4619 7.4619 7.4994 7.4994 8.9700 8.9700 8.9913 8.9913 10.0217 10.0217 10.0427 10.0427 12.5807 12.5807 12.6167 12.6167 12.6798 12.6798 12.7233 12.7233 k = 0.1198 0.2075 0.1392 ( 4260 PWs) bands (ev): -45.0114 -45.0114 -45.0114 -45.0114 -22.5884 -22.5884 -22.5828 -22.5828 -20.5449 -20.5449 -20.5434 -20.5434 -20.4480 -20.4480 -20.4384 -20.4384 -3.6789 -3.6789 -3.6706 -3.6706 -2.4830 -2.4830 -2.4828 -2.4828 4.6937 4.6937 4.7048 4.7048 6.0269 6.0269 6.0307 6.0307 6.9050 6.9050 6.9312 6.9312 7.2051 7.2051 7.2271 7.2271 7.4347 7.4347 7.4694 7.4694 8.9707 8.9707 8.9916 8.9916 10.0930 10.0930 10.1117 10.1117 12.5880 12.5880 12.6193 12.6193 12.6892 12.6892 12.7368 12.7368 k = 0.1146 0.1985 0.1392 ( 4248 PWs) bands (ev): -45.0125 -45.0125 -45.0125 -45.0125 -22.5847 -22.5847 -22.5797 -22.5797 -20.5415 -20.5415 -20.5397 -20.5397 -20.4425 -20.4425 -20.4336 -20.4336 -3.7190 -3.7190 -3.7117 -3.7117 -2.4921 -2.4921 -2.4919 -2.4919 4.6700 4.6700 4.6797 4.6797 6.0717 6.0717 6.0772 6.0772 6.9656 6.9656 6.9882 6.9882 7.2654 7.2654 7.2819 7.2819 7.4076 7.4076 7.4387 7.4387 8.9695 8.9695 8.9900 8.9900 10.1652 10.1652 10.1818 10.1818 12.5922 12.5922 12.6208 12.6208 12.7062 12.7062 12.7555 12.7555 k = 0.1094 0.1894 0.1392 ( 4248 PWs) bands (ev): -45.0136 -45.0136 -45.0136 -45.0136 -22.5811 -22.5811 -22.5767 -22.5767 -20.5383 -20.5383 -20.5364 -20.5364 -20.4369 -20.4369 -20.4286 -20.4286 -3.7582 -3.7582 -3.7518 -3.7518 -2.5010 -2.5010 -2.5008 -2.5008 4.6448 4.6448 4.6530 4.6530 6.1193 6.1193 6.1262 6.1262 7.0242 7.0242 7.0429 7.0429 7.3271 7.3271 7.3310 7.3310 7.3879 7.3879 7.4086 7.4086 8.9664 8.9664 8.9864 8.9864 10.2378 10.2378 10.2525 10.2525 12.5952 12.5952 12.6226 12.6226 12.7284 12.7284 12.7779 12.7779 k = 0.1042 0.1804 0.1392 ( 4250 PWs) bands (ev): -45.0147 -45.0147 -45.0147 -45.0147 -22.5776 -22.5776 -22.5738 -22.5738 -20.5354 -20.5354 -20.5334 -20.5334 -20.4310 -20.4310 -20.4235 -20.4235 -3.7962 -3.7962 -3.7906 -3.7906 -2.5096 -2.5096 -2.5094 -2.5094 4.6183 4.6183 4.6253 4.6253 6.1693 6.1693 6.1774 6.1774 7.0812 7.0812 7.0959 7.0959 7.3333 7.3333 7.3654 7.3654 7.4034 7.4034 7.4162 7.4162 8.9613 8.9613 8.9806 8.9806 10.3106 10.3106 10.3234 10.3234 12.5985 12.5985 12.6255 12.6255 12.7539 12.7539 12.8026 12.8026 k = 0.0990 0.1714 0.1392 ( 4254 PWs) bands (ev): -45.0158 -45.0158 -45.0158 -45.0158 -22.5742 -22.5742 -22.5709 -22.5709 -20.5327 -20.5327 -20.5308 -20.5308 -20.4250 -20.4250 -20.4183 -20.4183 -3.8329 -3.8329 -3.8281 -3.8281 -2.5179 -2.5179 -2.5178 -2.5178 4.5910 4.5910 4.5970 4.5970 6.2212 6.2212 6.2303 6.2303 7.1364 7.1364 7.1469 7.1469 7.3088 7.3088 7.3416 7.3416 7.4620 7.4620 7.4730 7.4730 8.9542 8.9542 8.9728 8.9728 10.3830 10.3830 10.3942 10.3942 12.6030 12.6030 12.6298 12.6298 12.7813 12.7813 12.8287 12.8287 k = 0.0938 0.1624 0.1392 ( 4242 PWs) bands (ev): -45.0167 -45.0167 -45.0167 -45.0167 -22.5710 -22.5710 -22.5682 -22.5682 -20.5303 -20.5303 -20.5285 -20.5285 -20.4190 -20.4190 -20.4131 -20.4131 -3.8684 -3.8684 -3.8643 -3.8643 -2.5259 -2.5259 -2.5258 -2.5258 4.5633 4.5633 4.5683 4.5683 6.2745 6.2745 6.2843 6.2843 7.1875 7.1875 7.1937 7.1937 7.2851 7.2851 7.3171 7.3171 7.5254 7.5254 7.5328 7.5328 8.9450 8.9450 8.9627 8.9627 10.4547 10.4547 10.4644 10.4644 12.6091 12.6091 12.6359 12.6359 12.8097 12.8097 12.8557 12.8557 k = 0.0885 0.1534 0.1392 ( 4252 PWs) bands (ev): -45.0177 -45.0177 -45.0177 -45.0177 -22.5679 -22.5679 -22.5655 -22.5655 -20.5281 -20.5281 -20.5264 -20.5264 -20.4130 -20.4130 -20.4079 -20.4079 -3.9024 -3.9024 -3.8989 -3.8989 -2.5336 -2.5336 -2.5335 -2.5335 4.5355 4.5355 4.5396 4.5396 6.3287 6.3287 6.3391 6.3391 7.2163 7.2163 7.2233 7.2233 7.2833 7.2833 7.3100 7.3100 7.5879 7.5879 7.5922 7.5922 8.9336 8.9336 8.9504 8.9504 10.5253 10.5253 10.5336 10.5336 12.6168 12.6168 12.6436 12.6436 12.8383 12.8383 12.8827 12.8827 k = 0.0833 0.1443 0.1392 ( 4244 PWs) bands (ev): -45.0186 -45.0186 -45.0186 -45.0186 -22.5650 -22.5650 -22.5630 -22.5630 -20.5261 -20.5261 -20.5246 -20.5246 -20.4070 -20.4070 -20.4026 -20.4026 -3.9350 -3.9350 -3.9321 -3.9321 -2.5410 -2.5410 -2.5409 -2.5409 4.5078 4.5078 4.5112 4.5112 6.3834 6.3834 6.3942 6.3942 7.2031 7.2031 7.2173 7.2173 7.3245 7.3245 7.3398 7.3398 7.6484 7.6484 7.6503 7.6503 8.9199 8.9199 8.9357 8.9357 10.5945 10.5945 10.6015 10.6015 12.6260 12.6260 12.6527 12.6527 12.8664 12.8664 12.9092 12.9092 k = 0.0781 0.1353 0.1392 ( 4236 PWs) bands (ev): -45.0195 -45.0195 -45.0195 -45.0195 -22.5622 -22.5622 -22.5605 -22.5605 -20.5243 -20.5243 -20.5230 -20.5230 -20.4012 -20.4012 -20.3975 -20.3975 -3.9660 -3.9660 -3.9636 -3.9636 -2.5480 -2.5480 -2.5479 -2.5479 4.4806 4.4806 4.4834 4.4834 6.4380 6.4380 6.4490 6.4490 7.1782 7.1782 7.1944 7.1944 7.3785 7.3785 7.3883 7.3883 7.7064 7.7064 7.7065 7.7065 8.9040 8.9040 8.9186 8.9186 10.6619 10.6619 10.6677 10.6677 12.6364 12.6364 12.6629 12.6629 12.8932 12.8932 12.9342 12.9342 k = 0.0729 0.1263 0.1392 ( 4228 PWs) bands (ev): -45.0203 -45.0203 -45.0203 -45.0203 -22.5596 -22.5596 -22.5582 -22.5582 -20.5226 -20.5226 -20.5216 -20.5216 -20.3955 -20.3955 -20.3924 -20.3924 -3.9953 -3.9953 -3.9933 -3.9933 -2.5547 -2.5547 -2.5546 -2.5546 4.4542 4.4542 4.4563 4.4563 6.4922 6.4922 6.5031 6.5031 7.1520 7.1520 7.1680 7.1680 7.4355 7.4355 7.4422 7.4422 7.7601 7.7601 7.7617 7.7617 8.8857 8.8857 8.8991 8.8991 10.7271 10.7271 10.7319 10.7319 12.6475 12.6475 12.6736 12.6736 12.9173 12.9173 12.9561 12.9561 k = 0.0677 0.1173 0.1392 ( 4224 PWs) bands (ev): -45.0210 -45.0210 -45.0210 -45.0210 -22.5571 -22.5571 -22.5560 -22.5560 -20.5212 -20.5212 -20.5203 -20.5203 -20.3900 -20.3900 -20.3875 -20.3875 -4.0230 -4.0230 -4.0214 -4.0214 -2.5609 -2.5609 -2.5609 -2.5609 4.4286 4.4286 4.4304 4.4304 6.5453 6.5453 6.5562 6.5562 7.1263 7.1263 7.1415 7.1415 7.4937 7.4937 7.4983 7.4983 7.8108 7.8108 7.8137 7.8137 8.8650 8.8650 8.8772 8.8772 10.7899 10.7899 10.7938 10.7938 12.6590 12.6590 12.6844 12.6844 12.9364 12.9364 12.9707 12.9707 k = 0.0625 0.1083 0.1392 ( 4222 PWs) bands (ev): -45.0218 -45.0218 -45.0218 -45.0218 -22.5548 -22.5548 -22.5540 -22.5540 -20.5199 -20.5199 -20.5192 -20.5192 -20.3848 -20.3848 -20.3828 -20.3828 -4.0488 -4.0488 -4.0476 -4.0476 -2.5668 -2.5668 -2.5667 -2.5667 4.4042 4.4042 4.4056 4.4056 6.5971 6.5971 6.6076 6.6076 7.1016 7.1016 7.1158 7.1158 7.5527 7.5527 7.5556 7.5556 7.8584 7.8584 7.8623 7.8623 8.8419 8.8419 8.8528 8.8528 10.8498 10.8498 10.8530 10.8530 12.6701 12.6701 12.6947 12.6947 12.9464 12.9464 12.9705 12.9705 k = 0.0573 0.0992 0.1392 ( 4222 PWs) bands (ev): -45.0225 -45.0225 -45.0225 -45.0225 -22.5527 -22.5527 -22.5520 -22.5520 -20.5188 -20.5188 -20.5182 -20.5182 -20.3798 -20.3798 -20.3783 -20.3783 -4.0729 -4.0729 -4.0719 -4.0719 -2.5722 -2.5722 -2.5722 -2.5722 4.3811 4.3811 4.3822 4.3822 6.6469 6.6469 6.6570 6.6570 7.0784 7.0784 7.0914 7.0914 7.6122 7.6122 7.6138 7.6138 7.9026 7.9026 7.9072 7.9072 8.8164 8.8164 8.8260 8.8260 10.9066 10.9066 10.9091 10.9091 12.6805 12.6805 12.7039 12.7039 12.9432 12.9432 12.9547 12.9547 k = 0.0521 0.0902 0.1392 ( 4228 PWs) bands (ev): -45.0232 -45.0232 -45.0232 -45.0232 -22.5508 -22.5508 -22.5503 -22.5503 -20.5178 -20.5178 -20.5173 -20.5173 -20.3752 -20.3752 -20.3741 -20.3741 -4.0950 -4.0950 -4.0943 -4.0943 -2.5772 -2.5772 -2.5772 -2.5772 4.3596 4.3596 4.3603 4.3603 6.6943 6.6943 6.7039 6.7039 7.0568 7.0568 7.0687 7.0687 7.6718 7.6718 7.6724 7.6724 7.9434 7.9434 7.9483 7.9483 8.7884 8.7884 8.7967 8.7967 10.9600 10.9600 10.9618 10.9618 12.6897 12.6897 12.7115 12.7115 12.9276 12.9276 12.9297 12.9297 k = 0.0469 0.0812 0.1392 ( 4236 PWs) bands (ev): -45.0239 -45.0239 -45.0239 -45.0239 -22.5490 -22.5490 -22.5487 -22.5487 -20.5169 -20.5169 -20.5166 -20.5166 -20.3710 -20.3710 -20.3701 -20.3701 -4.1153 -4.1153 -4.1147 -4.1147 -2.5818 -2.5818 -2.5817 -2.5817 4.3396 4.3396 4.3402 4.3402 6.7389 6.7389 6.7479 6.7479 7.0370 7.0370 7.0476 7.0476 7.7310 7.7310 7.7313 7.7313 7.9805 7.9805 7.9856 7.9856 8.7582 8.7582 8.7652 8.7652 11.0095 11.0095 11.0109 11.0109 12.6972 12.6972 12.7172 12.7172 12.9005 12.9005 12.9043 12.9043 k = 0.0417 0.0722 0.1392 ( 4232 PWs) bands (ev): -45.0244 -45.0244 -45.0244 -45.0244 -22.5475 -22.5475 -22.5472 -22.5472 -20.5161 -20.5161 -20.5159 -20.5159 -20.3671 -20.3671 -20.3665 -20.3665 -4.1335 -4.1335 -4.1331 -4.1331 -2.5859 -2.5859 -2.5859 -2.5859 4.3214 4.3214 4.3218 4.3218 6.7802 6.7802 6.7885 6.7885 7.0192 7.0192 7.0285 7.0285 7.7893 7.7893 7.7902 7.7902 8.0141 8.0141 8.0191 8.0191 8.7258 8.7258 8.7315 8.7315 11.0549 11.0549 11.0559 11.0559 12.7030 12.7030 12.7207 12.7207 12.8706 12.8706 12.8775 12.8775 k = 0.0365 0.0631 0.1392 ( 4224 PWs) bands (ev): -45.0248 -45.0248 -45.0248 -45.0248 -22.5461 -22.5461 -22.5459 -22.5459 -20.5155 -20.5155 -20.5154 -20.5154 -20.3636 -20.3636 -20.3632 -20.3632 -4.1497 -4.1497 -4.1494 -4.1494 -2.5895 -2.5895 -2.5895 -2.5895 4.3051 4.3051 4.3054 4.3054 6.8179 6.8179 6.8253 6.8253 7.0033 7.0033 7.0115 7.0115 7.8467 7.8467 7.8481 7.8481 8.0440 8.0440 8.0488 8.0488 8.6916 8.6916 8.6961 8.6961 11.0959 11.0959 11.0966 11.0966 12.7070 12.7070 12.7220 12.7220 12.8424 12.8424 12.8505 12.8505 k = 0.0312 0.0541 0.1392 ( 4224 PWs) bands (ev): -45.0252 -45.0252 -45.0252 -45.0252 -22.5449 -22.5449 -22.5448 -22.5448 -20.5150 -20.5150 -20.5149 -20.5149 -20.3606 -20.3606 -20.3603 -20.3603 -4.1638 -4.1638 -4.1636 -4.1636 -2.5927 -2.5927 -2.5927 -2.5927 4.2908 4.2908 4.2910 4.2910 6.8514 6.8514 6.8579 6.8579 6.9895 6.9895 6.9965 6.9965 7.9025 7.9025 7.9042 7.9042 8.0705 8.0705 8.0748 8.0748 8.6558 8.6558 8.6592 8.6592 11.1321 11.1321 11.1325 11.1325 12.7090 12.7090 12.7210 12.7210 12.8175 12.8175 12.8253 12.8253 k = 0.0260 0.0451 0.1392 ( 4228 PWs) bands (ev): -45.0256 -45.0256 -45.0256 -45.0256 -22.5439 -22.5439 -22.5438 -22.5438 -20.5145 -20.5145 -20.5145 -20.5145 -20.3580 -20.3580 -20.3578 -20.3578 -4.1758 -4.1758 -4.1757 -4.1757 -2.5954 -2.5954 -2.5954 -2.5954 4.2785 4.2785 4.2786 4.2786 6.8805 6.8805 6.8859 6.8859 6.9780 6.9780 6.9837 6.9837 7.9558 7.9558 7.9575 7.9575 8.0937 8.0937 8.0974 8.0974 8.6191 8.6191 8.6215 8.6215 11.1633 11.1633 11.1635 11.1635 12.7092 12.7092 12.7178 12.7178 12.7973 12.7973 12.8036 12.8036 k = 0.0208 0.0361 0.1392 ( 4218 PWs) bands (ev): -45.0258 -45.0258 -45.0258 -45.0258 -22.5430 -22.5430 -22.5430 -22.5430 -20.5142 -20.5142 -20.5141 -20.5141 -20.3558 -20.3558 -20.3558 -20.3558 -4.1857 -4.1857 -4.1856 -4.1856 -2.5977 -2.5977 -2.5977 -2.5977 4.2684 4.2684 4.2685 4.2685 6.9046 6.9046 6.9090 6.9090 6.9688 6.9688 6.9733 6.9733 8.0047 8.0047 8.0064 8.0064 8.1143 8.1143 8.1172 8.1172 8.5825 8.5825 8.5840 8.5840 11.1892 11.1892 11.1893 11.1893 12.7075 12.7075 12.7128 12.7128 12.7822 12.7822 12.7863 12.7863 k = 0.0156 0.0271 0.1392 ( 4210 PWs) bands (ev): -45.0260 -45.0260 -45.0260 -45.0260 -22.5424 -22.5424 -22.5424 -22.5424 -20.5139 -20.5139 -20.5139 -20.5139 -20.3541 -20.3541 -20.3541 -20.3541 -4.1933 -4.1933 -4.1933 -4.1933 -2.5994 -2.5994 -2.5994 -2.5994 4.2605 4.2605 4.2605 4.2605 6.9234 6.9234 6.9265 6.9265 6.9623 6.9623 6.9655 6.9655 8.0468 8.0468 8.0480 8.0480 8.1331 8.1331 8.1350 8.1350 8.5477 8.5477 8.5485 8.5485 11.2096 11.2096 11.2096 11.2096 12.7044 12.7044 12.7069 12.7069 12.7718 12.7718 12.7738 12.7738 k = 0.0104 0.0180 0.1392 ( 4210 PWs) bands (ev): -45.0262 -45.0262 -45.0262 -45.0262 -22.5419 -22.5419 -22.5419 -22.5419 -20.5137 -20.5137 -20.5137 -20.5137 -20.3529 -20.3529 -20.3529 -20.3529 -4.1989 -4.1989 -4.1989 -4.1989 -2.6006 -2.6006 -2.6006 -2.6006 4.2548 4.2548 4.2548 4.2548 6.9361 6.9361 6.9376 6.9376 6.9592 6.9592 6.9608 6.9608 8.0783 8.0783 8.0788 8.0788 8.1510 8.1510 8.1518 8.1518 8.5174 8.5174 8.5177 8.5177 11.2243 11.2243 11.2243 11.2243 12.7008 12.7008 12.7016 12.7016 12.7653 12.7653 12.7659 12.7659 k = 0.0052 0.0090 0.1392 ( 4214 PWs) bands (ev): -45.0263 -45.0263 -45.0263 -45.0263 -22.5416 -22.5416 -22.5416 -22.5416 -20.5136 -20.5136 -20.5136 -20.5136 -20.3522 -20.3522 -20.3522 -20.3522 -4.2022 -4.2022 -4.2022 -4.2022 -2.6014 -2.6014 -2.6014 -2.6014 4.2513 4.2513 4.2513 4.2513 6.9420 6.9420 6.9423 6.9423 6.9594 6.9594 6.9597 6.9597 8.0965 8.0965 8.0966 8.0966 8.1659 8.1659 8.1660 8.1660 8.4958 8.4958 8.4959 8.4959 11.2331 11.2331 11.2331 11.2331 12.6979 12.6979 12.6980 12.6980 12.7617 12.7617 12.7617 12.7617 k = 0.0000 0.0000 0.1392 ( 4202 PWs) bands (ev): -45.0262 -45.0262 -45.0262 -45.0262 -22.5415 -22.5415 -22.5415 -22.5415 -20.5136 -20.5136 -20.5136 -20.5136 -20.3520 -20.3520 -20.3520 -20.3520 -4.2033 -4.2033 -4.2033 -4.2033 -2.6016 -2.6016 -2.6016 -2.6016 4.2502 4.2502 4.2502 4.2502 6.9432 6.9432 6.9432 6.9432 6.9602 6.9602 6.9602 6.9602 8.1022 8.1022 8.1022 8.1022 8.1719 8.1719 8.1719 8.1719 8.4878 8.4878 8.4878 8.4878 11.2361 11.2361 11.2361 11.2361 12.6967 12.6967 12.6967 12.6967 12.7605 12.7605 12.7605 12.7605 k = 0.5000 0.2887 0.1392 ( 4304 PWs) bands (ev): -44.9855 -44.9855 -44.9855 -44.9855 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6966 -20.6966 -20.4748 -20.4748 -20.4748 -20.4748 -2.6186 -2.6186 -2.6186 -2.6186 -2.2716 -2.2716 -2.2716 -2.2716 4.2431 4.2431 4.2431 4.2431 5.2403 5.2403 5.2403 5.2403 5.9608 5.9608 5.9608 5.9608 6.5679 6.5679 6.5679 6.5679 8.2732 8.2732 8.2732 8.2732 8.4263 8.4263 8.4263 8.4263 9.6772 9.6772 9.6772 9.6772 12.7359 12.7359 12.7359 12.7359 13.2142 13.2142 13.2142 13.2142 k = 0.5000 0.2887 0.1293 ( 4292 PWs) bands (ev): -44.9855 -44.9855 -44.9854 -44.9854 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6231 -2.6231 -2.6138 -2.6138 -2.2794 -2.2794 -2.2640 -2.2640 4.2328 4.2328 4.2530 4.2530 5.2179 5.2179 5.2652 5.2652 5.9591 5.9591 5.9612 5.9612 6.5614 6.5614 6.5746 6.5746 8.2114 8.2114 8.3321 8.3321 8.4103 8.4103 8.4463 8.4463 9.6640 9.6640 9.6891 9.6891 12.7322 12.7322 12.7396 12.7396 13.2132 13.2132 13.2155 13.2155 k = 0.5000 0.2887 0.1193 ( 4296 PWs) bands (ev): -44.9857 -44.9857 -44.9853 -44.9853 -22.6726 -22.6726 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6274 -2.6274 -2.6089 -2.6089 -2.2873 -2.2873 -2.2567 -2.2567 4.2220 4.2220 4.2623 4.2623 5.1979 5.1979 5.2925 5.2925 5.9561 5.9561 5.9601 5.9601 6.5550 6.5550 6.5812 6.5812 8.1494 8.1494 8.3784 8.3784 8.4002 8.4002 8.4752 8.4752 9.6492 9.6492 9.6996 9.6996 12.7288 12.7288 12.7433 12.7433 13.2124 13.2124 13.2169 13.2169 k = 0.5000 0.2887 0.1094 ( 4296 PWs) bands (ev): -44.9857 -44.9857 -44.9853 -44.9853 -22.6726 -22.6726 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6315 -2.6315 -2.6039 -2.6039 -2.2952 -2.2952 -2.2497 -2.2497 4.2111 4.2111 4.2708 4.2708 5.1803 5.1803 5.3220 5.3220 5.9520 5.9520 5.9577 5.9577 6.5488 6.5488 6.5878 6.5878 8.0888 8.0888 8.3780 8.3780 8.4224 8.4224 8.5192 8.5192 9.6329 9.6329 9.7088 9.7088 12.7254 12.7254 12.7471 12.7471 13.2119 13.2119 13.2184 13.2184 k = 0.5000 0.2887 0.0994 ( 4288 PWs) bands (ev): -44.9856 -44.9856 -44.9852 -44.9852 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6352 -2.6352 -2.5988 -2.5988 -2.3031 -2.3031 -2.2431 -2.2431 4.2002 4.2002 4.2785 4.2785 5.1650 5.1650 5.3536 5.3536 5.9466 5.9466 5.9539 5.9539 6.5429 6.5429 6.5942 6.5942 8.0306 8.0306 8.3660 8.3660 8.4440 8.4440 8.5751 8.5751 9.6150 9.6150 9.7169 9.7169 12.7223 12.7223 12.7508 12.7508 13.2117 13.2117 13.2200 13.2200 k = 0.5000 0.2887 0.0895 ( 4290 PWs) bands (ev): -44.9856 -44.9856 -44.9853 -44.9853 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6387 -2.6387 -2.5938 -2.5938 -2.3108 -2.3108 -2.2370 -2.2370 4.1894 4.1894 4.2854 4.2854 5.1519 5.1519 5.3871 5.3871 5.9393 5.9393 5.9494 5.9494 6.5374 6.5374 6.6003 6.6003 7.9754 7.9754 8.3541 8.3541 8.4600 8.4600 8.6357 8.6357 9.5954 9.5954 9.7239 9.7239 12.7194 12.7194 12.7544 12.7544 13.2119 13.2119 13.2215 13.2215 k = 0.5000 0.2887 0.0795 ( 4284 PWs) bands (ev): -44.9855 -44.9855 -44.9853 -44.9853 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6418 -2.6418 -2.5888 -2.5888 -2.3182 -2.3182 -2.2313 -2.2313 4.1792 4.1792 4.2914 4.2914 5.1408 5.1408 5.4221 5.4221 5.9296 5.9296 5.9446 5.9446 6.5323 6.5323 6.6060 6.6060 7.9240 7.9240 8.3430 8.3430 8.4730 8.4730 8.6969 8.6969 9.5743 9.5743 9.7300 9.7300 12.7167 12.7167 12.7579 12.7579 13.2124 13.2124 13.2229 13.2229 k = 0.5000 0.2887 0.0696 ( 4280 PWs) bands (ev): -44.9855 -44.9855 -44.9852 -44.9852 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4747 -20.4747 -2.6446 -2.6446 -2.5840 -2.5840 -2.3253 -2.3253 -2.2262 -2.2262 4.1695 4.1695 4.2967 4.2967 5.1315 5.1315 5.4583 5.4583 5.9174 5.9174 5.9399 5.9399 6.5276 6.5276 6.6114 6.6114 7.8770 7.8770 8.3329 8.3329 8.4841 8.4841 8.7568 8.7568 9.5518 9.5518 9.7351 9.7351 12.7143 12.7143 12.7611 12.7611 13.2133 13.2133 13.2242 13.2242 k = 0.5000 0.2887 0.0597 ( 4284 PWs) bands (ev): -44.9856 -44.9856 -44.9852 -44.9852 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4747 -20.4747 -2.6471 -2.6471 -2.5795 -2.5795 -2.3317 -2.3317 -2.2217 -2.2217 4.1607 4.1607 4.3011 4.3011 5.1238 5.1238 5.4951 5.4951 5.9025 5.9025 5.9356 5.9356 6.5235 6.5235 6.6162 6.6162 7.8349 7.8349 8.3238 8.3238 8.4935 8.4935 8.8142 8.8142 9.5283 9.5283 9.7394 9.7394 12.7122 12.7122 12.7640 12.7640 13.2145 13.2145 13.2253 13.2253 k = 0.5000 0.2887 0.0497 ( 4288 PWs) bands (ev): -44.9856 -44.9856 -44.9853 -44.9853 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4747 -20.4747 -2.6491 -2.6491 -2.5754 -2.5754 -2.3376 -2.3376 -2.2178 -2.2178 4.1529 4.1529 4.3048 4.3048 5.1177 5.1177 5.5320 5.5320 5.8850 5.8850 5.9316 5.9316 6.5200 6.5200 6.6204 6.6204 7.7983 7.7983 8.3159 8.3159 8.5015 8.5015 8.8679 8.8679 9.5041 9.5041 9.7430 9.7430 12.7104 12.7104 12.7666 12.7666 13.2159 13.2159 13.2262 13.2262 k = 0.5000 0.2887 0.0398 ( 4292 PWs) bands (ev): -44.9856 -44.9856 -44.9853 -44.9853 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6508 -2.6508 -2.5718 -2.5718 -2.3426 -2.3426 -2.2146 -2.2146 4.1463 4.1463 4.3077 4.3077 5.1129 5.1129 5.5683 5.5683 5.8654 5.8654 5.9282 5.9282 6.5170 6.5170 6.6239 6.6239 7.7677 7.7677 8.3093 8.3093 8.5081 8.5081 8.9166 8.9166 9.4802 9.4802 9.7458 9.7458 12.7090 12.7090 12.7687 12.7687 13.2174 13.2174 13.2268 13.2268 k = 0.5000 0.2887 0.0298 ( 4292 PWs) bands (ev): -44.9856 -44.9856 -44.9853 -44.9853 -22.6725 -22.6725 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4747 -20.4747 -2.6522 -2.6522 -2.5689 -2.5689 -2.3467 -2.3467 -2.2121 -2.2121 4.1411 4.1411 4.3099 4.3099 5.1093 5.1093 5.6027 5.6027 5.8443 5.8443 5.9255 5.9255 6.5147 6.5147 6.6267 6.6267 7.7435 7.7435 8.3041 8.3041 8.5132 8.5132 8.9587 8.9587 9.4578 9.4578 9.7479 9.7479 12.7078 12.7078 12.7705 12.7705 13.2189 13.2189 13.2272 13.2272 k = 0.5000 0.2887 0.0199 ( 4286 PWs) bands (ev): -44.9857 -44.9857 -44.9851 -44.9851 -22.6726 -22.6726 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6531 -2.6531 -2.5667 -2.5667 -2.3497 -2.3497 -2.2103 -2.2103 4.1372 4.1372 4.3115 4.3115 5.1068 5.1068 5.6334 5.6334 5.8233 5.8233 5.9235 5.9235 6.5131 6.5131 6.6288 6.6288 7.7259 7.7259 8.3003 8.3003 8.5169 8.5169 8.9917 8.9917 9.4389 9.4389 9.7494 9.7494 12.7070 12.7070 12.7718 12.7718 13.2201 13.2201 13.2274 13.2274 k = 0.5000 0.2887 0.0099 ( 4304 PWs) bands (ev): -44.9858 -44.9858 -44.9853 -44.9853 -22.6726 -22.6726 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6537 -2.6537 -2.5653 -2.5653 -2.3516 -2.3516 -2.2092 -2.2092 4.1349 4.1349 4.3124 4.3124 5.1053 5.1053 5.6567 5.6567 5.8060 5.8060 5.9222 5.9222 6.5121 6.5121 6.6300 6.6300 7.7153 7.7153 8.2980 8.2980 8.5191 8.5191 9.0133 9.0133 9.4260 9.4260 9.7503 9.7503 12.7065 12.7065 12.7726 12.7726 13.2210 13.2210 13.2274 13.2274 k = 0.5000 0.2887-0.0000 ( 4302 PWs) bands (ev): -44.9858 -44.9858 -44.9853 -44.9853 -22.6726 -22.6726 -22.6725 -22.6725 -20.6966 -20.6966 -20.6965 -20.6965 -20.4748 -20.4748 -20.4748 -20.4748 -2.6539 -2.6539 -2.5649 -2.5649 -2.3522 -2.3522 -2.2088 -2.2088 4.1341 4.1341 4.3128 4.3128 5.1049 5.1049 5.6660 5.6660 5.7987 5.7987 5.9218 5.9218 6.5117 6.5117 6.6304 6.6304 7.7117 7.7117 8.2972 8.2972 8.5198 8.5198 9.0208 9.0208 9.4213 9.4213 9.7506 9.7506 12.7063 12.7063 12.7729 12.7729 13.2213 13.2213 13.2274 13.2274 k = 0.3333 0.5774-0.0000 ( 4281 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5497 4.5497 4.5653 4.5653 5.2713 5.2713 5.6279 5.6279 5.6470 5.6470 5.7012 5.7012 6.3548 6.3548 6.4001 6.4001 6.9024 6.9024 7.4755 7.4755 8.0179 8.0179 8.0333 8.0333 10.1529 10.1529 10.2698 10.2698 11.7010 11.7010 11.7183 11.7183 13.8965 13.8965 13.9230 13.9230 k = 0.3333 0.5774 0.0099 ( 4287 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5494 4.5494 4.5650 4.5650 5.2722 5.2722 5.6263 5.6263 5.6486 5.6486 5.7028 5.7028 6.3530 6.3530 6.3982 6.3982 6.9046 6.9046 7.4739 7.4739 8.0185 8.0185 8.0339 8.0339 10.1531 10.1531 10.2701 10.2701 11.7011 11.7011 11.7182 11.7182 13.8893 13.8893 13.9108 13.9108 k = 0.3333 0.5774 0.0199 ( 4287 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5487 4.5487 4.5642 4.5642 5.2747 5.2747 5.6217 5.6217 5.6531 5.6531 5.7076 5.7076 6.3476 6.3476 6.3924 6.3924 6.9111 6.9111 7.4692 7.4692 8.0202 8.0202 8.0359 8.0359 10.1539 10.1539 10.2708 10.2708 11.7012 11.7012 11.7181 11.7181 13.8699 13.8699 13.8812 13.8812 k = 0.3333 0.5774 0.0298 ( 4287 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5475 4.5475 4.5630 4.5630 5.2789 5.2789 5.6142 5.6142 5.6605 5.6605 5.7154 5.7154 6.3390 6.3390 6.3829 6.3829 6.9218 6.9218 7.4614 7.4614 8.0231 8.0231 8.0390 8.0390 10.1551 10.1551 10.2720 10.2720 11.7015 11.7015 11.7179 11.7179 13.8425 13.8425 13.8443 13.8443 k = 0.3333 0.5774 0.0398 ( 4293 PWs) bands (ev): -44.9804 -44.9804 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5459 4.5459 4.5613 4.5613 5.2848 5.2848 5.6040 5.6040 5.6707 5.6707 5.7260 5.7260 6.3272 6.3272 6.3701 6.3701 6.9363 6.9363 7.4507 7.4507 8.0269 8.0269 8.0431 8.0431 10.1568 10.1568 10.2736 10.2736 11.7018 11.7018 11.7175 11.7175 13.8055 13.8055 13.8112 13.8112 k = 0.3333 0.5774 0.0497 ( 4284 PWs) bands (ev): -44.9802 -44.9802 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5441 4.5441 4.5593 4.5593 5.2923 5.2923 5.5914 5.5914 5.6832 5.6832 5.7392 5.7392 6.3127 6.3127 6.3543 6.3543 6.9544 6.9544 7.4370 7.4370 8.0314 8.0314 8.0480 8.0480 10.1588 10.1588 10.2756 10.2756 11.7023 11.7023 11.7171 11.7171 13.7673 13.7673 13.7786 13.7786 k = 0.3333 0.5774 0.0597 ( 4290 PWs) bands (ev): -44.9803 -44.9803 -44.9801 -44.9801 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1889 -2.1889 -2.1865 -2.1865 4.5420 4.5420 4.5572 4.5572 5.3013 5.3013 5.5767 5.5767 5.6977 5.6977 5.7547 5.7547 6.2959 6.2959 6.3360 6.3360 6.9757 6.9757 7.4205 7.4205 8.0364 8.0364 8.0534 8.0534 10.1610 10.1610 10.2777 10.2777 11.7028 11.7028 11.7166 11.7166 13.7309 13.7309 13.7465 13.7465 k = 0.3333 0.5774 0.0696 ( 4275 PWs) bands (ev): -44.9802 -44.9802 -44.9800 -44.9800 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1888 -2.1888 -2.1865 -2.1865 4.5399 4.5399 4.5549 4.5549 5.3118 5.3118 5.5604 5.5604 5.7139 5.7139 5.7719 5.7719 6.2775 6.2775 6.3158 6.3158 6.9997 6.9997 7.4015 7.4015 8.0416 8.0416 8.0590 8.0590 10.1633 10.1633 10.2800 10.2800 11.7035 11.7035 11.7160 11.7160 13.6972 13.6972 13.7162 13.7162 k = 0.3333 0.5774 0.0795 ( 4275 PWs) bands (ev): -44.9802 -44.9802 -44.9800 -44.9800 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3497 -2.3497 -2.1888 -2.1888 -2.1865 -2.1865 4.5378 4.5378 4.5526 4.5526 5.3238 5.3238 5.5427 5.5427 5.7310 5.7310 5.7904 5.7904 6.2581 6.2581 6.2943 6.2943 7.0259 7.0259 7.3802 7.3802 8.0467 8.0467 8.0645 8.0645 10.1657 10.1657 10.2823 10.2823 11.7042 11.7042 11.7154 11.7154 13.6669 13.6669 13.6884 13.6884 k = 0.3333 0.5774 0.0895 ( 4278 PWs) bands (ev): -44.9802 -44.9802 -44.9800 -44.9800 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3498 -2.3498 -2.1888 -2.1888 -2.1865 -2.1865 4.5358 4.5358 4.5505 4.5505 5.3371 5.3371 5.5241 5.5241 5.7483 5.7483 5.8094 5.8094 6.2386 6.2386 6.2726 6.2726 7.0540 7.0540 7.3567 7.3567 8.0515 8.0515 8.0698 8.0698 10.1679 10.1679 10.2845 10.2845 11.7049 11.7049 11.7147 11.7147 13.6405 13.6405 13.6640 13.6640 k = 0.3333 0.5774 0.0994 ( 4272 PWs) bands (ev): -44.9802 -44.9802 -44.9800 -44.9800 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3498 -2.3498 -2.1888 -2.1888 -2.1865 -2.1865 4.5340 4.5340 4.5486 4.5486 5.3515 5.3515 5.5050 5.5050 5.7650 5.7650 5.8279 5.8279 6.2200 6.2200 6.2516 6.2516 7.0834 7.0834 7.3313 7.3313 8.0558 8.0558 8.0744 8.0744 10.1699 10.1699 10.2865 10.2865 11.7057 11.7057 11.7139 11.7139 13.6183 13.6183 13.6433 13.6433 k = 0.3333 0.5774 0.1094 ( 4272 PWs) bands (ev): -44.9802 -44.9802 -44.9800 -44.9800 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3498 -2.3498 -2.1888 -2.1888 -2.1864 -2.1864 4.5326 4.5326 4.5471 4.5471 5.3669 5.3669 5.4858 5.4858 5.7800 5.7800 5.8448 5.8448 6.2034 6.2034 6.2327 6.2327 7.1135 7.1135 7.3046 7.3046 8.0594 8.0594 8.0783 8.0783 10.1716 10.1716 10.2882 10.2882 11.7065 11.7065 11.7132 11.7132 13.6007 13.6007 13.6268 13.6268 k = 0.3333 0.5774 0.1193 ( 4290 PWs) bands (ev): -44.9803 -44.9803 -44.9802 -44.9802 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3498 -2.3498 -2.1888 -2.1888 -2.1864 -2.1864 4.5315 4.5315 4.5459 4.5459 5.3827 5.3827 5.4670 5.4670 5.7920 5.7920 5.8586 5.8586 6.1902 6.1902 6.2174 6.2174 7.1434 7.1434 7.2771 7.2771 8.0621 8.0621 8.0811 8.0811 10.1729 10.1729 10.2894 10.2894 11.7072 11.7072 11.7125 11.7125 13.5880 13.5880 13.6149 13.6149 k = 0.3333 0.5774 0.1293 ( 4290 PWs) bands (ev): -44.9803 -44.9803 -44.9802 -44.9802 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3498 -2.3498 -2.1888 -2.1888 -2.1864 -2.1864 4.5308 4.5308 4.5452 4.5452 5.3977 5.3977 5.4503 5.4503 5.7999 5.7999 5.8677 5.8677 6.1816 6.1816 6.2073 6.2073 7.1712 7.1712 7.2508 7.2508 8.0637 8.0637 8.0829 8.0829 10.1737 10.1737 10.2902 10.2902 11.7078 11.7078 11.7119 11.7119 13.5802 13.5802 13.6076 13.6076 k = 0.3333 0.5774 0.1392 ( 4284 PWs) bands (ev): -44.9802 -44.9802 -44.9802 -44.9802 -22.7029 -22.7029 -22.6608 -22.6608 -20.7187 -20.7187 -20.6355 -20.6355 -20.5562 -20.5562 -20.5307 -20.5307 -2.4265 -2.4265 -2.3498 -2.3498 -2.1888 -2.1888 -2.1864 -2.1864 4.5305 4.5305 4.5449 4.5449 5.4056 5.4056 5.4418 5.4418 5.8026 5.8026 5.8710 5.8710 6.1786 6.1786 6.2038 6.2038 7.1866 7.1866 7.2359 7.2359 8.0643 8.0643 8.0835 8.0835 10.1740 10.1740 10.2905 10.2905 11.7081 11.7081 11.7117 11.7117 13.5777 13.5777 13.6052 13.6052 Writing output data file NbS2.save init_run : 0.22s CPU 0.35s WALL ( 1 calls) electrons : 194.93s CPU 197.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 194.93s CPU 197.76s 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 : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 353 calls) cegterg : 175.77s CPU 178.08s WALL ( 428 calls) Called by sum_band: Called by *egterg: h_psi : 88.97s CPU 90.56s WALL ( 7588 calls) s_psi : 9.36s CPU 9.40s WALL ( 7588 calls) g_psi : 0.30s CPU 0.29s WALL ( 6807 calls) cdiaghg : 69.76s CPU 70.47s WALL ( 7160 calls) cegterg:over : 8.05s CPU 8.24s WALL ( 6807 calls) cegterg:upda : 6.70s CPU 6.91s WALL ( 6807 calls) cegterg:last : 3.62s CPU 3.59s WALL ( 1134 calls) cdiaghg:chol : 4.00s CPU 3.98s WALL ( 7160 calls) cdiaghg:inve : 2.58s CPU 2.76s WALL ( 7160 calls) cdiaghg:para : 4.72s CPU 4.63s WALL ( 14320 calls) Called by h_psi: h_psi:vloc : 68.74s CPU 70.26s WALL ( 7588 calls) h_psi:vnl : 19.89s CPU 20.01s WALL ( 7588 calls) add_vuspsi : 11.19s CPU 11.18s WALL ( 7588 calls) General routines calbec : 8.66s CPU 8.81s WALL ( 7588 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.28s CPU 65.88s WALL ( 938932 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.29s WALL ( 706 calls) Parallel routines fft_scatter : 25.98s CPU 26.74s WALL ( 938955 calls) PWSCF : 3m34.34s CPU 3m49.93s WALL This run was terminated on: 20:59: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=