Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:33: 7 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: ./BaAsAu.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 23 7 4441 1093 175 Max 60 24 8 4448 1128 180 Sum 2149 847 253 159975 39977 6363 bravais-lattice index = 14 lattice parameter (alat) = 8.5705 a.u. unit-cell volume = 1085.1321 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.570474 celldm(2)= 1.000000 celldm(3)= 1.990387 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.990387 ) 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 0.502415 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) Au 11.00 196.96660 Au( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9951933 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9951933 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9951933 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9951933 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9951933 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9951933 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9951933 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9951933 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9951933 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9951933 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9951933 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9951933 ) 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= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0035088 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0035088 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0035088 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0035088 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0035088 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0035088 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0035088 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0035088 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0035088 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0035088 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0035088 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0035088 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0035088 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0035088 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0035088 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0035088 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0035088 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0035088 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0035088 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0035088 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0035088 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0035088 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0035088 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0035088 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0035088 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0035088 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0035088 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0035088 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0035088 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0035088 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0035088 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0035088 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0035088 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0035088 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0035088 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0035088 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0035088 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0035088 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0035088 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035088 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035088 k( 43) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0035088 k( 44) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0035088 k( 45) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0035088 k( 46) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0035088 k( 47) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0035088 k( 48) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0035088 k( 49) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0035088 k( 50) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0035088 k( 51) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0035088 k( 52) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0035088 k( 53) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0035088 k( 54) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035088 k( 55) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0035088 k( 56) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0035088 k( 57) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0035088 k( 58) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0035088 k( 59) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0035088 k( 60) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0035088 k( 61) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0035088 k( 62) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0035088 k( 63) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0035088 k( 64) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0035088 k( 65) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0035088 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035088 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035088 k( 68) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0035088 k( 69) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0035088 k( 70) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0035088 k( 71) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0035088 k( 72) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0035088 k( 73) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0035088 k( 74) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0035088 k( 75) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0035088 k( 76) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0035088 k( 77) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0035088 k( 78) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0035088 k( 79) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0035088 k( 80) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0035088 k( 81) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0035088 k( 82) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0035088 k( 83) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0035088 k( 84) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0035088 k( 85) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0035088 k( 86) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0035088 k( 87) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0035088 k( 88) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0035088 k( 89) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0035088 k( 90) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0035088 k( 91) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0035088 k( 92) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0035088 k( 93) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0035088 k( 94) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0035088 k( 95) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0035088 k( 96) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0035088 k( 97) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0035088 k( 98) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0035088 k( 99) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0035088 k( 100) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0035088 k( 101) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0035088 k( 102) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0035088 k( 103) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0035088 k( 104) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0035088 k( 105) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0035088 k( 106) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0035088 k( 107) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0035088 k( 108) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0035088 k( 109) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0035088 k( 110) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0035088 k( 111) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0035088 k( 112) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0035088 k( 113) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0035088 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0000000 0.0000000 0.0139560), wk = 0.0035088 k( 117) = ( 0.0000000 0.0000000 0.0279119), wk = 0.0035088 k( 118) = ( 0.0000000 0.0000000 0.0418679), wk = 0.0035088 k( 119) = ( 0.0000000 0.0000000 0.0558239), wk = 0.0035088 k( 120) = ( 0.0000000 0.0000000 0.0697799), wk = 0.0035088 k( 121) = ( 0.0000000 0.0000000 0.0837358), wk = 0.0035088 k( 122) = ( 0.0000000 0.0000000 0.0976918), wk = 0.0035088 k( 123) = ( 0.0000000 0.0000000 0.1116478), wk = 0.0035088 k( 124) = ( 0.0000000 0.0000000 0.1256037), wk = 0.0035088 k( 125) = ( 0.0000000 0.0000000 0.1395597), wk = 0.0035088 k( 126) = ( 0.0000000 0.0000000 0.1535157), wk = 0.0035088 k( 127) = ( 0.0000000 0.0000000 0.1674717), wk = 0.0035088 k( 128) = ( 0.0000000 0.0000000 0.1814276), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.1953836), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.2093396), wk = 0.0035088 k( 131) = ( 0.0000000 0.0000000 0.2232955), wk = 0.0035088 k( 132) = ( 0.0000000 0.0000000 0.2372515), wk = 0.0035088 k( 133) = ( 0.0000000 0.0000000 0.2512075), wk = 0.0035088 k( 134) = ( 0.0000000 0.0000000 0.2512075), wk = 0.0035088 k( 135) = ( 0.0125000 0.0072169 0.2512075), wk = 0.0035088 k( 136) = ( 0.0250000 0.0144338 0.2512075), wk = 0.0035088 k( 137) = ( 0.0375000 0.0216506 0.2512075), wk = 0.0035088 k( 138) = ( 0.0500000 0.0288675 0.2512075), wk = 0.0035088 k( 139) = ( 0.0625000 0.0360844 0.2512075), wk = 0.0035088 k( 140) = ( 0.0750000 0.0433013 0.2512075), wk = 0.0035088 k( 141) = ( 0.0875000 0.0505181 0.2512075), wk = 0.0035088 k( 142) = ( 0.1000000 0.0577350 0.2512075), wk = 0.0035088 k( 143) = ( 0.1125000 0.0649519 0.2512075), wk = 0.0035088 k( 144) = ( 0.1250000 0.0721688 0.2512075), wk = 0.0035088 k( 145) = ( 0.1375000 0.0793857 0.2512075), wk = 0.0035088 k( 146) = ( 0.1500000 0.0866025 0.2512075), wk = 0.0035088 k( 147) = ( 0.1625000 0.0938194 0.2512075), wk = 0.0035088 k( 148) = ( 0.1750000 0.1010363 0.2512075), wk = 0.0035088 k( 149) = ( 0.1875000 0.1082532 0.2512075), wk = 0.0035088 k( 150) = ( 0.2000000 0.1154701 0.2512075), wk = 0.0035088 k( 151) = ( 0.2125000 0.1226869 0.2512075), wk = 0.0035088 k( 152) = ( 0.2250000 0.1299038 0.2512075), wk = 0.0035088 k( 153) = ( 0.2375000 0.1371207 0.2512075), wk = 0.0035088 k( 154) = ( 0.2500000 0.1443376 0.2512075), wk = 0.0035088 k( 155) = ( 0.2625000 0.1515544 0.2512075), wk = 0.0035088 k( 156) = ( 0.2750000 0.1587713 0.2512075), wk = 0.0035088 k( 157) = ( 0.2875000 0.1659882 0.2512075), wk = 0.0035088 k( 158) = ( 0.3000000 0.1732051 0.2512075), wk = 0.0035088 k( 159) = ( 0.3125000 0.1804220 0.2512075), wk = 0.0035088 k( 160) = ( 0.3250000 0.1876388 0.2512075), wk = 0.0035088 k( 161) = ( 0.3375000 0.1948557 0.2512075), wk = 0.0035088 k( 162) = ( 0.3500000 0.2020726 0.2512075), wk = 0.0035088 k( 163) = ( 0.3625000 0.2092895 0.2512075), wk = 0.0035088 k( 164) = ( 0.3750000 0.2165064 0.2512075), wk = 0.0035088 k( 165) = ( 0.3875000 0.2237232 0.2512075), wk = 0.0035088 k( 166) = ( 0.4000000 0.2309401 0.2512075), wk = 0.0035088 k( 167) = ( 0.4125000 0.2381570 0.2512075), wk = 0.0035088 k( 168) = ( 0.4250000 0.2453739 0.2512075), wk = 0.0035088 k( 169) = ( 0.4375000 0.2525907 0.2512075), wk = 0.0035088 k( 170) = ( 0.4500000 0.2598076 0.2512075), wk = 0.0035088 k( 171) = ( 0.4625000 0.2670245 0.2512075), wk = 0.0035088 k( 172) = ( 0.4750000 0.2742414 0.2512075), wk = 0.0035088 k( 173) = ( 0.4875000 0.2814583 0.2512075), wk = 0.0035088 k( 174) = ( 0.5000000 0.2886751 0.2512075), wk = 0.0035088 k( 175) = ( 0.5000000 0.2886751 0.2512075), wk = 0.0035088 k( 176) = ( 0.4930556 0.3007033 0.2512075), wk = 0.0035088 k( 177) = ( 0.4861111 0.3127314 0.2512075), wk = 0.0035088 k( 178) = ( 0.4791667 0.3247595 0.2512075), wk = 0.0035088 k( 179) = ( 0.4722222 0.3367877 0.2512075), wk = 0.0035088 k( 180) = ( 0.4652778 0.3488158 0.2512075), wk = 0.0035088 k( 181) = ( 0.4583333 0.3608439 0.2512075), wk = 0.0035088 k( 182) = ( 0.4513889 0.3728720 0.2512075), wk = 0.0035088 k( 183) = ( 0.4444444 0.3849002 0.2512075), wk = 0.0035088 k( 184) = ( 0.4375000 0.3969283 0.2512075), wk = 0.0035088 k( 185) = ( 0.4305556 0.4089564 0.2512075), wk = 0.0035088 k( 186) = ( 0.4236111 0.4209846 0.2512075), wk = 0.0035088 k( 187) = ( 0.4166667 0.4330127 0.2512075), wk = 0.0035088 k( 188) = ( 0.4097222 0.4450408 0.2512075), wk = 0.0035088 k( 189) = ( 0.4027778 0.4570690 0.2512075), wk = 0.0035088 k( 190) = ( 0.3958333 0.4690971 0.2512075), wk = 0.0035088 k( 191) = ( 0.3888889 0.4811252 0.2512075), wk = 0.0035088 k( 192) = ( 0.3819444 0.4931534 0.2512075), wk = 0.0035088 k( 193) = ( 0.3750000 0.5051815 0.2512075), wk = 0.0035088 k( 194) = ( 0.3680556 0.5172096 0.2512075), wk = 0.0035088 k( 195) = ( 0.3611111 0.5292377 0.2512075), wk = 0.0035088 k( 196) = ( 0.3541667 0.5412659 0.2512075), wk = 0.0035088 k( 197) = ( 0.3472222 0.5532940 0.2512075), wk = 0.0035088 k( 198) = ( 0.3402778 0.5653221 0.2512075), wk = 0.0035088 k( 199) = ( 0.3333333 0.5773503 0.2512075), wk = 0.0035088 k( 200) = ( 0.3333333 0.5773503 0.2512075), wk = 0.0035088 k( 201) = ( 0.3262411 0.5650662 0.2512075), wk = 0.0035088 k( 202) = ( 0.3191489 0.5527822 0.2512075), wk = 0.0035088 k( 203) = ( 0.3120567 0.5404981 0.2512075), wk = 0.0035088 k( 204) = ( 0.3049645 0.5282141 0.2512075), wk = 0.0035088 k( 205) = ( 0.2978723 0.5159300 0.2512075), wk = 0.0035088 k( 206) = ( 0.2907801 0.5036460 0.2512075), wk = 0.0035088 k( 207) = ( 0.2836879 0.4913619 0.2512075), wk = 0.0035088 k( 208) = ( 0.2765957 0.4790779 0.2512075), wk = 0.0035088 k( 209) = ( 0.2695035 0.4667938 0.2512075), wk = 0.0035088 k( 210) = ( 0.2624113 0.4545098 0.2512075), wk = 0.0035088 k( 211) = ( 0.2553191 0.4422257 0.2512075), wk = 0.0035088 k( 212) = ( 0.2482270 0.4299417 0.2512075), wk = 0.0035088 k( 213) = ( 0.2411348 0.4176576 0.2512075), wk = 0.0035088 k( 214) = ( 0.2340425 0.4053736 0.2512075), wk = 0.0035088 k( 215) = ( 0.2269503 0.3930895 0.2512075), wk = 0.0035088 k( 216) = ( 0.2198582 0.3808055 0.2512075), wk = 0.0035088 k( 217) = ( 0.2127660 0.3685215 0.2512075), wk = 0.0035088 k( 218) = ( 0.2056738 0.3562374 0.2512075), wk = 0.0035088 k( 219) = ( 0.1985816 0.3439534 0.2512075), wk = 0.0035088 k( 220) = ( 0.1914894 0.3316693 0.2512075), wk = 0.0035088 k( 221) = ( 0.1843972 0.3193852 0.2512075), wk = 0.0035088 k( 222) = ( 0.1773050 0.3071012 0.2512075), wk = 0.0035088 k( 223) = ( 0.1702128 0.2948172 0.2512075), wk = 0.0035088 k( 224) = ( 0.1631206 0.2825331 0.2512075), wk = 0.0035088 k( 225) = ( 0.1560284 0.2702491 0.2512075), wk = 0.0035088 k( 226) = ( 0.1489362 0.2579650 0.2512075), wk = 0.0035088 k( 227) = ( 0.1418440 0.2456810 0.2512075), wk = 0.0035088 k( 228) = ( 0.1347518 0.2333969 0.2512075), wk = 0.0035088 k( 229) = ( 0.1276596 0.2211129 0.2512075), wk = 0.0035088 k( 230) = ( 0.1205674 0.2088288 0.2512075), wk = 0.0035088 k( 231) = ( 0.1134752 0.1965448 0.2512075), wk = 0.0035088 k( 232) = ( 0.1063830 0.1842607 0.2512075), wk = 0.0035088 k( 233) = ( 0.0992908 0.1719767 0.2512075), wk = 0.0035088 k( 234) = ( 0.0921986 0.1596926 0.2512075), wk = 0.0035088 k( 235) = ( 0.0851064 0.1474086 0.2512075), wk = 0.0035088 k( 236) = ( 0.0780142 0.1351245 0.2512075), wk = 0.0035088 k( 237) = ( 0.0709220 0.1228405 0.2512075), wk = 0.0035088 k( 238) = ( 0.0638298 0.1105564 0.2512075), wk = 0.0035088 k( 239) = ( 0.0567376 0.0982724 0.2512075), wk = 0.0035088 k( 240) = ( 0.0496454 0.0859883 0.2512075), wk = 0.0035088 k( 241) = ( 0.0425532 0.0737043 0.2512075), wk = 0.0035088 k( 242) = ( 0.0354610 0.0614202 0.2512075), wk = 0.0035088 k( 243) = ( 0.0283688 0.0491362 0.2512075), wk = 0.0035088 k( 244) = ( 0.0212766 0.0368522 0.2512075), wk = 0.0035088 k( 245) = ( 0.0141844 0.0245681 0.2512075), wk = 0.0035088 k( 246) = ( 0.0070922 0.0122841 0.2512075), wk = 0.0035088 k( 247) = ( 0.0000000 0.0000000 0.2512075), wk = 0.0035088 k( 248) = ( 0.5000000 0.2886751 0.2512075), wk = 0.0035088 k( 249) = ( 0.5000000 0.2886751 0.2372515), wk = 0.0035088 k( 250) = ( 0.5000000 0.2886751 0.2232955), wk = 0.0035088 k( 251) = ( 0.5000000 0.2886751 0.2093396), wk = 0.0035088 k( 252) = ( 0.5000000 0.2886751 0.1953836), wk = 0.0035088 k( 253) = ( 0.5000000 0.2886751 0.1814276), wk = 0.0035088 k( 254) = ( 0.5000000 0.2886751 0.1674717), wk = 0.0035088 k( 255) = ( 0.5000000 0.2886751 0.1535157), wk = 0.0035088 k( 256) = ( 0.5000000 0.2886751 0.1395597), wk = 0.0035088 k( 257) = ( 0.5000000 0.2886751 0.1256037), wk = 0.0035088 k( 258) = ( 0.5000000 0.2886751 0.1116478), wk = 0.0035088 k( 259) = ( 0.5000000 0.2886751 0.0976918), wk = 0.0035088 k( 260) = ( 0.5000000 0.2886751 0.0837358), wk = 0.0035088 k( 261) = ( 0.5000000 0.2886751 0.0697799), wk = 0.0035088 k( 262) = ( 0.5000000 0.2886751 0.0558239), wk = 0.0035088 k( 263) = ( 0.5000000 0.2886751 0.0418679), wk = 0.0035088 k( 264) = ( 0.5000000 0.2886751 0.0279119), wk = 0.0035088 k( 265) = ( 0.5000000 0.2886751 0.0139560), wk = 0.0035088 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035088 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035088 k( 268) = ( 0.3333333 0.5773503 0.0139560), wk = 0.0035088 k( 269) = ( 0.3333333 0.5773503 0.0279119), wk = 0.0035088 k( 270) = ( 0.3333333 0.5773503 0.0418679), wk = 0.0035088 k( 271) = ( 0.3333333 0.5773503 0.0558239), wk = 0.0035088 k( 272) = ( 0.3333333 0.5773503 0.0697799), wk = 0.0035088 k( 273) = ( 0.3333333 0.5773503 0.0837358), wk = 0.0035088 k( 274) = ( 0.3333333 0.5773503 0.0976918), wk = 0.0035088 k( 275) = ( 0.3333333 0.5773503 0.1116478), wk = 0.0035088 k( 276) = ( 0.3333333 0.5773503 0.1256037), wk = 0.0035088 k( 277) = ( 0.3333333 0.5773503 0.1395597), wk = 0.0035088 k( 278) = ( 0.3333333 0.5773503 0.1535157), wk = 0.0035088 k( 279) = ( 0.3333333 0.5773503 0.1674717), wk = 0.0035088 k( 280) = ( 0.3333333 0.5773503 0.1814276), wk = 0.0035088 k( 281) = ( 0.3333333 0.5773503 0.1953836), wk = 0.0035088 k( 282) = ( 0.3333333 0.5773503 0.2093396), wk = 0.0035088 k( 283) = ( 0.3333333 0.5773503 0.2232955), wk = 0.0035088 k( 284) = ( 0.3333333 0.5773503 0.2372515), wk = 0.0035088 k( 285) = ( 0.3333333 0.5773503 0.2512075), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0035088 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0035088 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0035088 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0035088 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0035088 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0035088 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0035088 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0035088 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0035088 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0035088 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0035088 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0035088 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0035088 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0035088 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0035088 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0035088 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0035088 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0035088 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0035088 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0035088 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0035088 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0035088 k( 24) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0035088 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0035088 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0035088 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0035088 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0035088 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0035088 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0035088 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0035088 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0035088 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0035088 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0035088 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0035088 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0035088 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0035088 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0035088 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0035088 k( 40) = ( 0.4875000 -0.0000000 0.0000000), wk = 0.0035088 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 43) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0035088 k( 44) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0035088 k( 45) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0035088 k( 46) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0035088 k( 47) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0035088 k( 48) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0035088 k( 49) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0035088 k( 50) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0035088 k( 51) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0035088 k( 52) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0035088 k( 53) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0035088 k( 54) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0035088 k( 55) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0035088 k( 56) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0035088 k( 57) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0035088 k( 58) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0035088 k( 59) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0035088 k( 60) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0035088 k( 61) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0035088 k( 62) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0035088 k( 63) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0035088 k( 64) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0035088 k( 65) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0035088 k( 66) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035088 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035088 k( 68) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0035088 k( 69) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0035088 k( 70) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0035088 k( 71) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0035088 k( 72) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0035088 k( 73) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0035088 k( 74) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0035088 k( 75) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0035088 k( 76) = ( 0.2695035 0.2695035 -0.0000000), wk = 0.0035088 k( 77) = ( 0.2624113 0.2624113 -0.0000000), wk = 0.0035088 k( 78) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0035088 k( 79) = ( 0.2482270 0.2482270 0.0000000), wk = 0.0035088 k( 80) = ( 0.2411348 0.2411347 0.0000000), wk = 0.0035088 k( 81) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0035088 k( 82) = ( 0.2269503 0.2269503 0.0000000), wk = 0.0035088 k( 83) = ( 0.2198582 0.2198582 0.0000000), wk = 0.0035088 k( 84) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0035088 k( 85) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0035088 k( 86) = ( 0.1985816 0.1985816 -0.0000000), wk = 0.0035088 k( 87) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0035088 k( 88) = ( 0.1843972 0.1843972 -0.0000000), wk = 0.0035088 k( 89) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0035088 k( 90) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0035088 k( 91) = ( 0.1631206 0.1631206 0.0000000), wk = 0.0035088 k( 92) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0035088 k( 93) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0035088 k( 94) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0035088 k( 95) = ( 0.1347518 0.1347518 -0.0000000), wk = 0.0035088 k( 96) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0035088 k( 97) = ( 0.1205674 0.1205674 -0.0000000), wk = 0.0035088 k( 98) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0035088 k( 99) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0035088 k( 100) = ( 0.0992908 0.0992908 -0.0000000), wk = 0.0035088 k( 101) = ( 0.0921986 0.0921986 -0.0000000), wk = 0.0035088 k( 102) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0035088 k( 103) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0035088 k( 104) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0035088 k( 105) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0035088 k( 106) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0035088 k( 107) = ( 0.0496454 0.0496454 -0.0000000), wk = 0.0035088 k( 108) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0035088 k( 109) = ( 0.0354610 0.0354610 -0.0000000), wk = 0.0035088 k( 110) = ( 0.0283688 0.0283688 0.0000000), wk = 0.0035088 k( 111) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0035088 k( 112) = ( 0.0141844 0.0141844 -0.0000000), wk = 0.0035088 k( 113) = ( 0.0070922 0.0070922 -0.0000000), wk = 0.0035088 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0035088 k( 117) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0035088 k( 118) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0035088 k( 119) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0035088 k( 120) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0035088 k( 121) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035088 k( 122) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0035088 k( 123) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0035088 k( 124) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035088 k( 125) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0035088 k( 126) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0035088 k( 127) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035088 k( 128) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0035088 k( 131) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0035088 k( 132) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0035088 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 135) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0035088 k( 136) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0035088 k( 137) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0035088 k( 138) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0035088 k( 139) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0035088 k( 140) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0035088 k( 141) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0035088 k( 142) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0035088 k( 143) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0035088 k( 144) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0035088 k( 145) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0035088 k( 146) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0035088 k( 147) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0035088 k( 148) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0035088 k( 149) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0035088 k( 150) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0035088 k( 151) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0035088 k( 152) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0035088 k( 153) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0035088 k( 154) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0035088 k( 155) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0035088 k( 156) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0035088 k( 157) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0035088 k( 158) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0035088 k( 159) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0035088 k( 160) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0035088 k( 161) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0035088 k( 162) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0035088 k( 163) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0035088 k( 164) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0035088 k( 165) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0035088 k( 166) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0035088 k( 167) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0035088 k( 168) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0035088 k( 169) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0035088 k( 170) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0035088 k( 171) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0035088 k( 172) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0035088 k( 173) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0035088 k( 174) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035088 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035088 k( 176) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0035088 k( 177) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0035088 k( 178) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0035088 k( 179) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0035088 k( 180) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0035088 k( 181) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0035088 k( 182) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0035088 k( 183) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0035088 k( 184) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0035088 k( 185) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0035088 k( 186) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0035088 k( 187) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035088 k( 188) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0035088 k( 189) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0035088 k( 190) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0035088 k( 191) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0035088 k( 192) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0035088 k( 193) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0035088 k( 194) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0035088 k( 195) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0035088 k( 196) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0035088 k( 197) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0035088 k( 198) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0035088 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035088 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035088 k( 201) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0035088 k( 202) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0035088 k( 203) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0035088 k( 204) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0035088 k( 205) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0035088 k( 206) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0035088 k( 207) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0035088 k( 208) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0035088 k( 209) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0035088 k( 210) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0035088 k( 211) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0035088 k( 212) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0035088 k( 213) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0035088 k( 214) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0035088 k( 215) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0035088 k( 216) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0035088 k( 217) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0035088 k( 218) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0035088 k( 219) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0035088 k( 220) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0035088 k( 221) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0035088 k( 222) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0035088 k( 223) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0035088 k( 224) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0035088 k( 225) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0035088 k( 226) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0035088 k( 227) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0035088 k( 228) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0035088 k( 229) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0035088 k( 230) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0035088 k( 231) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0035088 k( 232) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0035088 k( 233) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0035088 k( 234) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0035088 k( 235) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0035088 k( 236) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0035088 k( 237) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0035088 k( 238) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0035088 k( 239) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0035088 k( 240) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0035088 k( 241) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0035088 k( 242) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0035088 k( 243) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0035088 k( 244) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0035088 k( 245) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0035088 k( 246) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0035088 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035088 k( 249) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0035088 k( 250) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0035088 k( 251) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0035088 k( 252) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0035088 k( 253) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0035088 k( 254) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0035088 k( 255) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0035088 k( 256) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0035088 k( 257) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035088 k( 258) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0035088 k( 259) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0035088 k( 260) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0035088 k( 261) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0035088 k( 262) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0035088 k( 263) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0035088 k( 264) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0035088 k( 265) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0035088 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 267) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035088 k( 268) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0035088 k( 269) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0035088 k( 270) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0035088 k( 271) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0035088 k( 272) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0035088 k( 273) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0035088 k( 274) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0035088 k( 275) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0035088 k( 276) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0035088 k( 277) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0035088 k( 278) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0035088 k( 279) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035088 k( 280) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0035088 k( 281) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0035088 k( 282) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0035088 k( 283) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0035088 k( 284) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0035088 k( 285) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035088 Dense grid: 159975 G-vectors FFT dimensions: ( 60, 60, 120) Smooth grid: 39977 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 282, 62) NL pseudopotentials 0.36 Mb ( 141, 166) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.03 Mb ( 4444) G-vector shells 0.02 Mb ( 2020) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 282, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 166, 2, 62) The potential is recalculated from file : ./BaAsAu.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.5 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.7 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.4 secs Computing kpt #: 14 total cpu time spent up to now is 17.6 secs Computing kpt #: 15 total cpu time spent up to now is 18.7 secs Computing kpt #: 16 total cpu time spent up to now is 19.9 secs Computing kpt #: 17 total cpu time spent up to now is 21.0 secs Computing kpt #: 18 total cpu time spent up to now is 22.1 secs Computing kpt #: 19 total cpu time spent up to now is 23.3 secs Computing kpt #: 20 total cpu time spent up to now is 24.3 secs Computing kpt #: 21 total cpu time spent up to now is 25.4 secs Computing kpt #: 22 total cpu time spent up to now is 26.2 secs Computing kpt #: 23 total cpu time spent up to now is 27.0 secs Computing kpt #: 24 total cpu time spent up to now is 27.8 secs Computing kpt #: 25 total cpu time spent up to now is 28.5 secs Computing kpt #: 26 total cpu time spent up to now is 29.2 secs Computing kpt #: 27 total cpu time spent up to now is 30.0 secs Computing kpt #: 28 total cpu time spent up to now is 30.7 secs Computing kpt #: 29 total cpu time spent up to now is 31.4 secs Computing kpt #: 30 total cpu time spent up to now is 32.1 secs Computing kpt #: 31 total cpu time spent up to now is 32.9 secs Computing kpt #: 32 total cpu time spent up to now is 33.6 secs Computing kpt #: 33 total cpu time spent up to now is 34.3 secs Computing kpt #: 34 total cpu time spent up to now is 35.0 secs Computing kpt #: 35 total cpu time spent up to now is 35.6 secs Computing kpt #: 36 total cpu time spent up to now is 36.3 secs Computing kpt #: 37 total cpu time spent up to now is 37.0 secs Computing kpt #: 38 total cpu time spent up to now is 37.6 secs Computing kpt #: 39 total cpu time spent up to now is 38.2 secs Computing kpt #: 40 total cpu time spent up to now is 38.8 secs Computing kpt #: 41 total cpu time spent up to now is 39.4 secs Computing kpt #: 42 total cpu time spent up to now is 40.1 secs Computing kpt #: 43 total cpu time spent up to now is 40.7 secs Computing kpt #: 44 total cpu time spent up to now is 41.4 secs Computing kpt #: 45 total cpu time spent up to now is 42.1 secs Computing kpt #: 46 total cpu time spent up to now is 42.8 secs Computing kpt #: 47 total cpu time spent up to now is 43.5 secs Computing kpt #: 48 total cpu time spent up to now is 44.8 secs Computing kpt #: 49 total cpu time spent up to now is 45.5 secs Computing kpt #: 50 total cpu time spent up to now is 46.2 secs Computing kpt #: 51 total cpu time spent up to now is 46.9 secs Computing kpt #: 52 total cpu time spent up to now is 47.6 secs Computing kpt #: 53 total cpu time spent up to now is 48.3 secs Computing kpt #: 54 total cpu time spent up to now is 49.0 secs Computing kpt #: 55 total cpu time spent up to now is 49.8 secs Computing kpt #: 56 total cpu time spent up to now is 50.5 secs Computing kpt #: 57 total cpu time spent up to now is 51.5 secs Computing kpt #: 58 total cpu time spent up to now is 52.4 secs Computing kpt #: 59 total cpu time spent up to now is 53.2 secs Computing kpt #: 60 total cpu time spent up to now is 54.0 secs Computing kpt #: 61 total cpu time spent up to now is 54.8 secs Computing kpt #: 62 total cpu time spent up to now is 55.6 secs Computing kpt #: 63 total cpu time spent up to now is 56.3 secs Computing kpt #: 64 total cpu time spent up to now is 57.1 secs Computing kpt #: 65 total cpu time spent up to now is 57.9 secs Computing kpt #: 66 total cpu time spent up to now is 58.6 secs Computing kpt #: 67 total cpu time spent up to now is 59.4 secs Computing kpt #: 68 total cpu time spent up to now is 60.2 secs Computing kpt #: 69 total cpu time spent up to now is 61.0 secs Computing kpt #: 70 total cpu time spent up to now is 61.7 secs Computing kpt #: 71 total cpu time spent up to now is 62.5 secs Computing kpt #: 72 total cpu time spent up to now is 63.2 secs Computing kpt #: 73 total cpu time spent up to now is 64.0 secs Computing kpt #: 74 total cpu time spent up to now is 64.7 secs Computing kpt #: 75 total cpu time spent up to now is 65.4 secs Computing kpt #: 76 total cpu time spent up to now is 66.0 secs Computing kpt #: 77 total cpu time spent up to now is 66.7 secs Computing kpt #: 78 total cpu time spent up to now is 67.3 secs Computing kpt #: 79 total cpu time spent up to now is 67.9 secs Computing kpt #: 80 total cpu time spent up to now is 68.6 secs Computing kpt #: 81 total cpu time spent up to now is 69.2 secs Computing kpt #: 82 total cpu time spent up to now is 69.9 secs Computing kpt #: 83 total cpu time spent up to now is 70.5 secs Computing kpt #: 84 total cpu time spent up to now is 71.1 secs Computing kpt #: 85 total cpu time spent up to now is 71.8 secs Computing kpt #: 86 total cpu time spent up to now is 72.4 secs Computing kpt #: 87 total cpu time spent up to now is 73.1 secs Computing kpt #: 88 total cpu time spent up to now is 73.8 secs Computing kpt #: 89 total cpu time spent up to now is 74.5 secs Computing kpt #: 90 total cpu time spent up to now is 75.2 secs Computing kpt #: 91 total cpu time spent up to now is 76.0 secs Computing kpt #: 92 total cpu time spent up to now is 76.8 secs Computing kpt #: 93 total cpu time spent up to now is 77.6 secs Computing kpt #: 94 total cpu time spent up to now is 78.4 secs Computing kpt #: 95 total cpu time spent up to now is 80.5 secs Computing kpt #: 96 total cpu time spent up to now is 81.5 secs Computing kpt #: 97 total cpu time spent up to now is 82.5 secs Computing kpt #: 98 total cpu time spent up to now is 83.5 secs Computing kpt #: 99 total cpu time spent up to now is 84.6 secs Computing kpt #: 100 total cpu time spent up to now is 85.7 secs Computing kpt #: 101 total cpu time spent up to now is 86.9 secs Computing kpt #: 102 total cpu time spent up to now is 88.1 secs Computing kpt #: 103 total cpu time spent up to now is 89.4 secs Computing kpt #: 104 total cpu time spent up to now is 90.9 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.8 secs Computing kpt #: 106 total cpu time spent up to now is 94.1 secs Computing kpt #: 107 total cpu time spent up to now is 95.0 secs Computing kpt #: 108 total cpu time spent up to now is 95.8 secs Computing kpt #: 109 total cpu time spent up to now is 96.6 secs Computing kpt #: 110 total cpu time spent up to now is 97.5 secs Computing kpt #: 111 total cpu time spent up to now is 98.3 secs Computing kpt #: 112 total cpu time spent up to now is 99.1 secs Computing kpt #: 113 total cpu time spent up to now is 99.8 secs Computing kpt #: 114 total cpu time spent up to now is 100.6 secs Computing kpt #: 115 total cpu time spent up to now is 101.4 secs Computing kpt #: 116 total cpu time spent up to now is 102.2 secs Computing kpt #: 117 total cpu time spent up to now is 102.9 secs Computing kpt #: 118 total cpu time spent up to now is 103.7 secs Computing kpt #: 119 total cpu time spent up to now is 104.5 secs Computing kpt #: 120 total cpu time spent up to now is 105.2 secs Computing kpt #: 121 total cpu time spent up to now is 106.0 secs Computing kpt #: 122 total cpu time spent up to now is 106.9 secs Computing kpt #: 123 total cpu time spent up to now is 107.7 secs Computing kpt #: 124 total cpu time spent up to now is 108.6 secs Computing kpt #: 125 total cpu time spent up to now is 109.5 secs Computing kpt #: 126 total cpu time spent up to now is 110.4 secs Computing kpt #: 127 total cpu time spent up to now is 111.5 secs Computing kpt #: 128 total cpu time spent up to now is 112.8 secs Computing kpt #: 129 total cpu time spent up to now is 113.8 secs Computing kpt #: 130 total cpu time spent up to now is 114.7 secs Computing kpt #: 131 total cpu time spent up to now is 115.7 secs Computing kpt #: 132 total cpu time spent up to now is 116.7 secs Computing kpt #: 133 total cpu time spent up to now is 117.7 secs Computing kpt #: 134 total cpu time spent up to now is 118.7 secs Computing kpt #: 135 total cpu time spent up to now is 119.6 secs Computing kpt #: 136 total cpu time spent up to now is 120.5 secs Computing kpt #: 137 total cpu time spent up to now is 121.5 secs Computing kpt #: 138 total cpu time spent up to now is 122.5 secs Computing kpt #: 139 total cpu time spent up to now is 123.6 secs Computing kpt #: 140 total cpu time spent up to now is 124.4 secs Computing kpt #: 141 total cpu time spent up to now is 125.4 secs Computing kpt #: 142 total cpu time spent up to now is 126.4 secs Computing kpt #: 143 total cpu time spent up to now is 127.2 secs Computing kpt #: 144 total cpu time spent up to now is 128.1 secs Computing kpt #: 145 total cpu time spent up to now is 128.9 secs Computing kpt #: 146 total cpu time spent up to now is 129.6 secs Computing kpt #: 147 total cpu time spent up to now is 130.4 secs Computing kpt #: 148 total cpu time spent up to now is 131.2 secs Computing kpt #: 149 total cpu time spent up to now is 132.0 secs Computing kpt #: 150 total cpu time spent up to now is 132.7 secs Computing kpt #: 151 total cpu time spent up to now is 133.5 secs Computing kpt #: 152 total cpu time spent up to now is 134.2 secs Computing kpt #: 153 total cpu time spent up to now is 135.0 secs Computing kpt #: 154 total cpu time spent up to now is 135.8 secs Computing kpt #: 155 total cpu time spent up to now is 136.5 secs Computing kpt #: 156 total cpu time spent up to now is 137.3 secs Computing kpt #: 157 total cpu time spent up to now is 138.1 secs Computing kpt #: 158 total cpu time spent up to now is 138.9 secs Computing kpt #: 159 total cpu time spent up to now is 139.8 secs Computing kpt #: 160 total cpu time spent up to now is 140.7 secs Computing kpt #: 161 total cpu time spent up to now is 141.6 secs Computing kpt #: 162 total cpu time spent up to now is 142.4 secs Computing kpt #: 163 total cpu time spent up to now is 143.4 secs Computing kpt #: 164 total cpu time spent up to now is 144.3 secs Computing kpt #: 165 total cpu time spent up to now is 145.2 secs Computing kpt #: 166 total cpu time spent up to now is 146.2 secs Computing kpt #: 167 total cpu time spent up to now is 147.1 secs Computing kpt #: 168 total cpu time spent up to now is 148.0 secs Computing kpt #: 169 total cpu time spent up to now is 149.0 secs Computing kpt #: 170 total cpu time spent up to now is 149.8 secs Computing kpt #: 171 total cpu time spent up to now is 150.7 secs Computing kpt #: 172 total cpu time spent up to now is 151.6 secs Computing kpt #: 173 total cpu time spent up to now is 152.4 secs Computing kpt #: 174 total cpu time spent up to now is 153.2 secs Computing kpt #: 175 total cpu time spent up to now is 154.1 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.9 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.8 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.6 secs Computing kpt #: 179 total cpu time spent up to now is 160.4 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.2 secs Computing kpt #: 181 total cpu time spent up to now is 163.9 secs Computing kpt #: 182 total cpu time spent up to now is 165.0 secs Computing kpt #: 183 total cpu time spent up to now is 166.1 secs Computing kpt #: 184 total cpu time spent up to now is 167.1 secs Computing kpt #: 185 total cpu time spent up to now is 168.3 secs Computing kpt #: 186 total cpu time spent up to now is 169.8 secs Computing kpt #: 187 total cpu time spent up to now is 171.5 secs Computing kpt #: 188 total cpu time spent up to now is 173.0 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.8 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.6 secs Computing kpt #: 191 total cpu time spent up to now is 177.4 secs Computing kpt #: 192 total cpu time spent up to now is 178.1 secs Computing kpt #: 193 total cpu time spent up to now is 178.9 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.7 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.6 secs Computing kpt #: 196 total cpu time spent up to now is 184.4 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.0 secs Computing kpt #: 199 total cpu time spent up to now is 189.3 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.1 secs Computing kpt #: 201 total cpu time spent up to now is 192.0 secs Computing kpt #: 202 total cpu time spent up to now is 193.0 secs Computing kpt #: 203 total cpu time spent up to now is 193.9 secs Computing kpt #: 204 total cpu time spent up to now is 194.8 secs Computing kpt #: 205 total cpu time spent up to now is 195.8 secs Computing kpt #: 206 total cpu time spent up to now is 196.8 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.7 secs Computing kpt #: 208 total cpu time spent up to now is 199.5 secs Computing kpt #: 209 total cpu time spent up to now is 200.5 secs Computing kpt #: 210 total cpu time spent up to now is 201.4 secs Computing kpt #: 211 total cpu time spent up to now is 202.2 secs Computing kpt #: 212 total cpu time spent up to now is 203.0 secs Computing kpt #: 213 total cpu time spent up to now is 203.7 secs Computing kpt #: 214 total cpu time spent up to now is 204.5 secs Computing kpt #: 215 total cpu time spent up to now is 205.2 secs Computing kpt #: 216 total cpu time spent up to now is 206.0 secs Computing kpt #: 217 total cpu time spent up to now is 206.7 secs Computing kpt #: 218 total cpu time spent up to now is 207.4 secs Computing kpt #: 219 total cpu time spent up to now is 208.2 secs Computing kpt #: 220 total cpu time spent up to now is 208.9 secs Computing kpt #: 221 total cpu time spent up to now is 209.6 secs Computing kpt #: 222 total cpu time spent up to now is 210.4 secs Computing kpt #: 223 total cpu time spent up to now is 211.2 secs Computing kpt #: 224 total cpu time spent up to now is 211.9 secs Computing kpt #: 225 total cpu time spent up to now is 212.7 secs Computing kpt #: 226 total cpu time spent up to now is 213.4 secs Computing kpt #: 227 total cpu time spent up to now is 214.2 secs Computing kpt #: 228 total cpu time spent up to now is 215.0 secs Computing kpt #: 229 total cpu time spent up to now is 215.7 secs Computing kpt #: 230 total cpu time spent up to now is 216.5 secs Computing kpt #: 231 total cpu time spent up to now is 217.3 secs Computing kpt #: 232 total cpu time spent up to now is 218.1 secs Computing kpt #: 233 total cpu time spent up to now is 218.9 secs Computing kpt #: 234 total cpu time spent up to now is 219.7 secs Computing kpt #: 235 total cpu time spent up to now is 220.6 secs Computing kpt #: 236 total cpu time spent up to now is 221.4 secs Computing kpt #: 237 total cpu time spent up to now is 222.7 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.6 secs Computing kpt #: 239 total cpu time spent up to now is 226.3 secs Computing kpt #: 240 total cpu time spent up to now is 227.2 secs Computing kpt #: 241 total cpu time spent up to now is 228.4 secs Computing kpt #: 242 total cpu time spent up to now is 229.5 secs Computing kpt #: 243 total cpu time spent up to now is 230.5 secs Computing kpt #: 244 total cpu time spent up to now is 231.6 secs Computing kpt #: 245 total cpu time spent up to now is 233.1 secs Computing kpt #: 246 total cpu time spent up to now is 234.1 secs Computing kpt #: 247 total cpu time spent up to now is 235.0 secs Computing kpt #: 248 total cpu time spent up to now is 235.8 secs Computing kpt #: 249 total cpu time spent up to now is 237.0 secs Computing kpt #: 250 total cpu time spent up to now is 238.0 secs Computing kpt #: 251 total cpu time spent up to now is 238.8 secs Computing kpt #: 252 total cpu time spent up to now is 239.7 secs Computing kpt #: 253 total cpu time spent up to now is 240.5 secs Computing kpt #: 254 total cpu time spent up to now is 241.3 secs Computing kpt #: 255 total cpu time spent up to now is 242.2 secs Computing kpt #: 256 total cpu time spent up to now is 243.0 secs Computing kpt #: 257 total cpu time spent up to now is 243.8 secs Computing kpt #: 258 total cpu time spent up to now is 244.6 secs Computing kpt #: 259 total cpu time spent up to now is 245.4 secs Computing kpt #: 260 total cpu time spent up to now is 246.1 secs Computing kpt #: 261 total cpu time spent up to now is 246.8 secs Computing kpt #: 262 total cpu time spent up to now is 247.5 secs Computing kpt #: 263 total cpu time spent up to now is 248.2 secs Computing kpt #: 264 total cpu time spent up to now is 248.9 secs Computing kpt #: 265 total cpu time spent up to now is 249.8 secs Computing kpt #: 266 total cpu time spent up to now is 250.7 secs Computing kpt #: 267 total cpu time spent up to now is 251.5 secs Computing kpt #: 268 total cpu time spent up to now is 252.2 secs Computing kpt #: 269 total cpu time spent up to now is 253.0 secs Computing kpt #: 270 total cpu time spent up to now is 253.8 secs Computing kpt #: 271 total cpu time spent up to now is 254.6 secs Computing kpt #: 272 total cpu time spent up to now is 255.4 secs Computing kpt #: 273 total cpu time spent up to now is 256.2 secs Computing kpt #: 274 total cpu time spent up to now is 257.1 secs Computing kpt #: 275 total cpu time spent up to now is 257.9 secs Computing kpt #: 276 total cpu time spent up to now is 258.8 secs Computing kpt #: 277 total cpu time spent up to now is 259.7 secs Computing kpt #: 278 total cpu time spent up to now is 260.6 secs Computing kpt #: 279 total cpu time spent up to now is 261.6 secs Computing kpt #: 280 total cpu time spent up to now is 262.8 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.7 secs Computing kpt #: 282 total cpu time spent up to now is 265.7 secs Computing kpt #: 283 total cpu time spent up to now is 266.4 secs Computing kpt #: 284 total cpu time spent up to now is 267.4 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.2 secs ethr = 1.92E-08, avg # of iterations = 40.4 total cpu time spent up to now is 269.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5009 PWs) bands (ev): -17.6721 -17.6721 -17.6539 -17.6539 -4.4735 -4.4735 -4.2735 -4.2735 -2.8777 -2.8777 -2.2783 -2.2783 -2.2256 -2.2256 -2.1788 -2.1788 -1.2588 -1.2588 -0.2092 -0.2092 3.8387 3.8387 4.0189 4.0189 4.6672 4.6672 4.7319 4.7319 4.9003 4.9003 4.9502 4.9502 5.8947 5.8947 6.0031 6.0031 6.1605 6.1605 6.4483 6.4483 6.6142 6.6142 8.9005 8.9005 9.4890 9.4890 9.7749 9.7749 9.8497 9.8497 9.8831 9.8831 10.5821 10.5821 10.6936 10.6936 11.3914 11.3914 12.3952 12.3952 12.4359 12.4359 k = 0.0125 0.0072-0.0000 ( 5011 PWs) bands (ev): -17.6720 -17.6720 -17.6539 -17.6539 -4.4734 -4.4734 -4.2737 -4.2737 -2.8775 -2.8775 -2.2786 -2.2786 -2.2268 -2.2268 -2.1792 -2.1792 -1.2565 -1.2565 -0.2100 -0.2100 3.8396 3.8396 4.0189 4.0189 4.6674 4.6674 4.7323 4.7323 4.9003 4.9003 4.9500 4.9500 5.8948 5.8948 6.0035 6.0035 6.1578 6.1578 6.4457 6.4457 6.6219 6.6219 8.8996 8.8996 9.4774 9.4774 9.6913 9.6913 9.8137 9.8137 10.0011 10.0011 10.5784 10.5784 10.6930 10.6930 11.3931 11.3931 12.4056 12.4056 12.4453 12.4453 k = 0.0250 0.0144-0.0000 ( 5019 PWs) bands (ev): -17.6719 -17.6719 -17.6538 -17.6538 -4.4731 -4.4731 -4.2745 -4.2745 -2.8766 -2.8766 -2.2798 -2.2798 -2.2304 -2.2304 -2.1805 -2.1805 -1.2495 -1.2495 -0.2122 -0.2122 3.8423 3.8423 4.0188 4.0188 4.6681 4.6681 4.7336 4.7336 4.9003 4.9003 4.9496 4.9496 5.8951 5.8951 6.0046 6.0046 6.1500 6.1500 6.4394 6.4394 6.6435 6.6435 8.8968 8.8968 9.4429 9.4429 9.5526 9.5526 9.8063 9.8063 10.1427 10.1427 10.5643 10.5643 10.6948 10.6948 11.3984 11.3984 12.4361 12.4361 12.4730 12.4730 k = 0.0375 0.0217-0.0000 ( 5005 PWs) bands (ev): -17.6717 -17.6717 -17.6536 -17.6536 -4.4725 -4.4725 -4.2757 -4.2757 -2.8752 -2.8752 -2.2820 -2.2820 -2.2358 -2.2358 -2.1828 -2.1828 -1.2381 -1.2381 -0.2158 -0.2158 3.8467 3.8467 4.0186 4.0186 4.6693 4.6693 4.7355 4.7355 4.9005 4.9005 4.9488 4.9488 5.8956 5.8956 6.0064 6.0064 6.1378 6.1378 6.4316 6.4316 6.6758 6.6758 8.8923 8.8923 9.3801 9.3801 9.4182 9.4182 9.7993 9.7993 10.2822 10.2822 10.5366 10.5366 10.7047 10.7047 11.4068 11.4068 12.4847 12.4847 12.5183 12.5183 k = 0.0500 0.0289-0.0000 ( 5001 PWs) bands (ev): -17.6714 -17.6714 -17.6533 -17.6533 -4.4717 -4.4717 -4.2774 -4.2774 -2.8733 -2.8733 -2.2859 -2.2859 -2.2424 -2.2424 -2.1859 -2.1859 -1.2224 -1.2224 -0.2209 -0.2209 3.8528 3.8528 4.0183 4.0183 4.6708 4.6708 4.7380 4.7380 4.9010 4.9010 4.9478 4.9478 5.8963 5.8963 6.0088 6.0088 6.1225 6.1225 6.4239 6.4239 6.7161 6.7161 8.8862 8.8862 9.2542 9.2542 9.3295 9.3295 9.7906 9.7906 10.3965 10.3965 10.5163 10.5163 10.7238 10.7238 11.4180 11.4180 12.5482 12.5482 12.5807 12.5807 k = 0.0625 0.0361-0.0000 ( 4997 PWs) bands (ev): -17.6710 -17.6710 -17.6530 -17.6530 -4.4707 -4.4707 -4.2796 -4.2796 -2.8708 -2.8708 -2.2922 -2.2922 -2.2490 -2.2490 -2.1898 -2.1898 -1.2029 -1.2029 -0.2274 -0.2274 3.8607 3.8607 4.0180 4.0180 4.6728 4.6728 4.7408 4.7408 4.9021 4.9021 4.9467 4.9467 5.8971 5.8971 6.0117 6.0117 6.1051 6.1051 6.4168 6.4168 6.7627 6.7627 8.8786 8.8786 9.1105 9.1105 9.2454 9.2454 9.7800 9.7800 10.3898 10.3898 10.5992 10.5992 10.7521 10.7521 11.4317 11.4317 12.6216 12.6216 12.6600 12.6600 k = 0.0750 0.0433-0.0000 ( 4993 PWs) bands (ev): -17.6705 -17.6705 -17.6526 -17.6526 -4.4695 -4.4695 -4.2823 -4.2823 -2.8677 -2.8677 -2.3016 -2.3016 -2.2546 -2.2546 -2.1945 -2.1945 -1.1799 -1.1799 -0.2352 -0.2352 3.8702 3.8702 4.0176 4.0176 4.6751 4.6751 4.7437 4.7437 4.9039 4.9039 4.9456 4.9456 5.8980 5.8980 6.0146 6.0146 6.0871 6.0871 6.4104 6.4104 6.8145 6.8145 8.8696 8.8696 8.9656 8.9656 9.1530 9.1530 9.7674 9.7674 10.3236 10.3236 10.7093 10.7093 10.8051 10.8051 11.4475 11.4475 12.6756 12.6756 12.7072 12.7072 k = 0.0875 0.0505-0.0000 ( 4985 PWs) bands (ev): -17.6700 -17.6700 -17.6521 -17.6521 -4.4681 -4.4681 -4.2854 -4.2854 -2.8641 -2.8641 -2.3142 -2.3142 -2.2587 -2.2587 -2.1999 -2.1999 -1.1537 -1.1537 -0.2442 -0.2442 3.8813 3.8813 4.0172 4.0172 4.6777 4.6777 4.7462 4.7462 4.9069 4.9069 4.9447 4.9447 5.8989 5.8989 6.0167 6.0167 6.0701 6.0701 6.4046 6.4046 6.8707 6.8707 8.8188 8.8188 8.8616 8.8616 9.0538 9.0538 9.7525 9.7525 10.2437 10.2437 10.7667 10.7667 10.9175 10.9175 11.4651 11.4651 12.6163 12.6163 12.7903 12.7903 k = 0.1000 0.0577-0.0000 ( 4981 PWs) bands (ev): -17.6693 -17.6693 -17.6516 -17.6516 -4.4666 -4.4666 -4.2889 -4.2889 -2.8599 -2.8599 -2.3294 -2.3294 -2.2616 -2.2616 -2.2061 -2.2061 -1.1248 -1.1248 -0.2543 -0.2543 3.8940 3.8940 4.0168 4.0168 4.6805 4.6805 4.7481 4.7481 4.9112 4.9112 4.9441 4.9441 5.8998 5.8998 6.0154 6.0154 6.0570 6.0570 6.3991 6.3991 6.9308 6.9308 8.6751 8.6751 8.8501 8.8501 8.9495 8.9495 9.7353 9.7353 10.1568 10.1568 10.7992 10.7992 11.0561 11.0561 11.4842 11.4842 12.5468 12.5468 12.8801 12.8801 k = 0.1125 0.0650-0.0000 ( 4975 PWs) bands (ev): -17.6686 -17.6686 -17.6510 -17.6510 -4.4650 -4.4650 -4.2929 -4.2929 -2.8551 -2.8551 -2.3465 -2.3465 -2.2638 -2.2638 -2.2129 -2.2129 -1.0936 -1.0936 -0.2655 -0.2655 3.9081 3.9081 4.0163 4.0163 4.6834 4.6834 4.7490 4.7490 4.9171 4.9171 4.9441 4.9441 5.9005 5.9005 6.0071 6.0071 6.0519 6.0519 6.3940 6.3940 6.9942 6.9942 8.5315 8.5315 8.8329 8.8329 8.8478 8.8478 9.7154 9.7154 10.0654 10.0654 10.8265 10.8265 11.1995 11.1995 11.5046 11.5046 12.4714 12.4714 12.9724 12.9724 k = 0.1250 0.0722-0.0000 ( 4979 PWs) bands (ev): -17.6679 -17.6679 -17.6503 -17.6503 -4.4633 -4.4633 -4.2972 -4.2972 -2.8497 -2.8497 -2.3649 -2.3649 -2.2655 -2.2655 -2.2203 -2.2203 -1.0603 -1.0603 -0.2777 -0.2777 3.9236 3.9236 4.0158 4.0158 4.6865 4.6865 4.7489 4.7489 4.9240 4.9240 4.9454 4.9454 5.9008 5.9008 5.9933 5.9933 6.0536 6.0536 6.3890 6.3890 7.0607 7.0607 8.3892 8.3892 8.7298 8.7298 8.8295 8.8295 9.6925 9.6925 9.9712 9.9712 10.8516 10.8516 11.3432 11.3432 11.5260 11.5260 12.3917 12.3917 13.0416 13.0418 k = 0.1375 0.0794-0.0000 ( 4983 PWs) bands (ev): -17.6671 -17.6671 -17.6496 -17.6496 -4.4615 -4.4615 -4.3019 -4.3019 -2.8438 -2.8438 -2.3842 -2.3842 -2.2670 -2.2670 -2.2282 -2.2282 -1.0254 -1.0254 -0.2908 -0.2908 3.9403 3.9403 4.0155 4.0155 4.6895 4.6895 4.7476 4.7476 4.9307 4.9307 4.9495 4.9495 5.9006 5.9006 5.9779 5.9779 6.0587 6.0587 6.3841 6.3841 7.1299 7.1299 8.2486 8.2486 8.6180 8.6180 8.8186 8.8186 9.6660 9.6660 9.8759 9.8759 10.8751 10.8751 11.4855 11.4855 11.5486 11.5486 12.3090 12.3090 13.0787 13.0787 k = 0.1500 0.0866-0.0000 ( 4983 PWs) bands (ev): -17.6662 -17.6662 -17.6488 -17.6488 -4.4597 -4.4597 -4.3070 -4.3070 -2.8373 -2.8373 -2.4039 -2.4039 -2.2683 -2.2683 -2.2365 -2.2365 -0.9892 -0.9892 -0.3045 -0.3045 3.9582 3.9582 4.0153 4.0153 4.6923 4.6923 4.7453 4.7453 4.9354 4.9354 4.9581 4.9581 5.8993 5.8993 5.9630 5.9630 6.0652 6.0652 6.3793 6.3793 7.2015 7.2015 8.1102 8.1102 8.5052 8.5052 8.8082 8.8082 9.6344 9.6344 9.7816 9.7816 10.8971 10.8971 11.5702 11.5702 11.6270 11.6270 12.2245 12.2245 13.1188 13.1188 k = 0.1625 0.0938-0.0000 ( 4973 PWs) bands (ev): -17.6652 -17.6652 -17.6480 -17.6480 -4.4579 -4.4579 -4.3123 -4.3123 -2.8303 -2.8303 -2.4238 -2.4238 -2.2696 -2.2696 -2.2450 -2.2450 -0.9520 -0.9520 -0.3188 -0.3188 3.9770 3.9770 4.0155 4.0155 4.6947 4.6947 4.7424 4.7424 4.9384 4.9384 4.9708 4.9708 5.8962 5.8962 5.9500 5.9500 6.0726 6.0726 6.3744 6.3744 7.2751 7.2751 7.9744 7.9744 8.3921 8.3921 8.7985 8.7985 9.5933 9.5933 9.6936 9.6936 10.9172 10.9172 11.5938 11.5938 11.7635 11.7635 12.1393 12.1393 13.1620 13.1620 k = 0.1750 0.1010-0.0000 ( 4975 PWs) bands (ev): -17.6643 -17.6643 -17.6472 -17.6472 -4.4562 -4.4562 -4.3180 -4.3180 -2.8227 -2.8227 -2.4438 -2.4438 -2.2710 -2.2710 -2.2536 -2.2536 -0.9142 -0.9142 -0.3334 -0.3334 3.9958 3.9958 4.0170 4.0170 4.6964 4.6964 4.7391 4.7391 4.9410 4.9410 4.9862 4.9862 5.8905 5.8905 5.9401 5.9401 6.0803 6.0803 6.3696 6.3696 7.3503 7.3503 7.8419 7.8419 8.2791 8.2791 8.7896 8.7896 9.5314 9.5314 9.6236 9.6236 10.9352 10.9352 11.6173 11.6173 11.8950 11.8950 12.0551 12.0551 13.2081 13.2081 k = 0.1875 0.1083-0.0000 ( 4979 PWs) bands (ev): -17.6632 -17.6632 -17.6463 -17.6463 -4.4544 -4.4544 -4.3239 -4.3239 -2.8147 -2.8147 -2.4635 -2.4635 -2.2733 -2.2733 -2.2616 -2.2616 -0.8760 -0.8760 -0.3483 -0.3483 4.0094 4.0094 4.0250 4.0250 4.6970 4.6970 4.7361 4.7361 4.9436 4.9436 5.0035 5.0035 5.8817 5.8817 5.9337 5.9337 6.0882 6.0882 6.3649 6.3649 7.4262 7.4262 7.7134 7.7134 8.1667 8.1667 8.7817 8.7817 9.4472 9.4472 9.5737 9.5737 10.9505 10.9505 11.6409 11.6409 11.9617 11.9617 12.0310 12.0310 13.2568 13.2568 k = 0.2000 0.1155-0.0000 ( 4985 PWs) bands (ev): -17.6622 -17.6622 -17.6454 -17.6454 -4.4528 -4.4528 -4.3299 -4.3299 -2.8061 -2.8061 -2.4830 -2.4830 -2.2781 -2.2781 -2.2672 -2.2672 -0.8378 -0.8378 -0.3631 -0.3631 4.0132 4.0132 4.0438 4.0438 4.6960 4.6960 4.7341 4.7341 4.9465 4.9465 5.0220 5.0220 5.8708 5.8708 5.9300 5.9300 6.0961 6.0961 6.3602 6.3602 7.4978 7.4978 7.5940 7.5940 8.0556 8.0556 8.7749 8.7749 9.3539 9.3539 9.5313 9.5313 10.9625 10.9625 11.6642 11.6642 11.8830 11.8830 12.1479 12.1479 13.3080 13.3080 k = 0.2125 0.1227-0.0000 ( 4985 PWs) bands (ev): -17.6611 -17.6611 -17.6445 -17.6445 -4.4512 -4.4512 -4.3362 -4.3362 -2.7972 -2.7972 -2.5020 -2.5020 -2.2859 -2.2859 -2.2699 -2.2699 -0.8001 -0.8001 -0.3776 -0.3776 4.0152 4.0152 4.0657 4.0657 4.6931 4.6931 4.7333 4.7333 4.9497 4.9497 5.0416 5.0416 5.8588 5.8588 5.9280 5.9280 6.1038 6.1038 6.3557 6.3557 7.4576 7.4576 7.5902 7.5902 7.9472 7.9472 8.7694 8.7694 9.2581 9.2581 9.4900 9.4900 10.9707 10.9707 11.6847 11.6847 11.8051 11.8051 12.2620 12.2620 13.3613 13.3613 k = 0.2250 0.1299-0.0000 ( 4985 PWs) bands (ev): -17.6600 -17.6600 -17.6435 -17.6435 -4.4498 -4.4498 -4.3426 -4.3426 -2.7879 -2.7879 -2.5204 -2.5204 -2.2948 -2.2948 -2.2713 -2.2713 -0.7632 -0.7632 -0.3914 -0.3914 4.0174 4.0174 4.0886 4.0886 4.6885 4.6885 4.7337 4.7337 4.9530 4.9530 5.0619 5.0619 5.8465 5.8465 5.9267 5.9267 6.1112 6.1112 6.3513 6.3513 7.3449 7.3449 7.6569 7.6569 7.8476 7.8476 8.7650 8.7650 9.1621 9.1621 9.4482 9.4482 10.9747 10.9747 11.6811 11.6811 11.7536 11.7536 12.3696 12.3696 13.4160 13.4160 k = 0.2375 0.1371-0.0000 ( 4989 PWs) bands (ev): -17.6589 -17.6589 -17.6426 -17.6426 -4.4485 -4.4485 -4.3491 -4.3491 -2.7784 -2.7784 -2.5382 -2.5382 -2.3041 -2.3041 -2.2723 -2.2723 -0.7279 -0.7279 -0.4039 -0.4039 4.0202 4.0202 4.1121 4.1121 4.6828 4.6828 4.7349 4.7349 4.9562 4.9562 5.0826 5.0826 5.8344 5.8344 5.9259 5.9259 6.1180 6.1180 6.3472 6.3472 7.2349 7.2349 7.6730 7.6730 7.8033 7.8033 8.7619 8.7619 9.0670 9.0670 9.4054 9.4054 10.9740 10.9740 11.6198 11.6198 11.7630 11.7630 12.4710 12.4710 13.4691 13.4691 k = 0.2500 0.1443-0.0000 ( 4989 PWs) bands (ev): -17.6577 -17.6577 -17.6416 -17.6416 -4.4473 -4.4473 -4.3556 -4.3556 -2.7687 -2.7687 -2.5553 -2.5553 -2.3133 -2.3133 -2.2732 -2.2732 -0.6951 -0.6951 -0.4144 -0.4144 4.0239 4.0239 4.1358 4.1358 4.6764 4.6764 4.7365 4.7365 4.9592 4.9592 5.1036 5.1036 5.8227 5.8227 5.9252 5.9252 6.1241 6.1241 6.3434 6.3434 7.1302 7.1302 7.5923 7.5923 7.8582 7.8582 8.7600 8.7600 8.9732 8.9732 9.3617 9.3617 10.9685 10.9685 11.5442 11.5442 11.7906 11.7906 12.5668 12.5668 13.4875 13.4875 k = 0.2625 0.1516-0.0000 ( 4983 PWs) bands (ev): -17.6566 -17.6566 -17.6406 -17.6406 -4.4463 -4.4463 -4.3622 -4.3622 -2.7589 -2.7589 -2.5714 -2.5714 -2.3223 -2.3223 -2.2739 -2.2739 -0.6658 -0.6658 -0.4217 -0.4217 4.0285 4.0285 4.1595 4.1595 4.6697 4.6697 4.7382 4.7382 4.9618 4.9618 5.1247 5.1247 5.8116 5.8116 5.9245 5.9245 6.1293 6.1293 6.3400 6.3400 7.0317 7.0317 7.4920 7.4920 7.9348 7.9348 8.7591 8.7591 8.8815 8.8815 9.3171 9.3171 10.9583 10.9583 11.4676 11.4676 11.8236 11.8236 12.6581 12.6581 13.4665 13.4665 k = 0.2750 0.1588-0.0000 ( 4979 PWs) bands (ev): -17.6555 -17.6555 -17.6397 -17.6397 -4.4455 -4.4455 -4.3687 -4.3687 -2.7492 -2.7492 -2.5867 -2.5867 -2.3310 -2.3310 -2.2746 -2.2746 -0.6417 -0.6417 -0.4242 -0.4242 4.0341 4.0341 4.1832 4.1832 4.6631 4.6631 4.7397 4.7397 4.9636 4.9636 5.1455 5.1455 5.8013 5.8013 5.9238 5.9238 6.1336 6.1336 6.3370 6.3370 6.9399 6.9399 7.3900 7.3900 8.0149 8.0149 8.7561 8.7561 8.7949 8.7949 9.2720 9.2720 10.9436 10.9436 11.3919 11.3919 11.8603 11.8603 12.7462 12.7462 13.4425 13.4425 k = 0.2875 0.1660-0.0000 ( 4983 PWs) bands (ev): -17.6544 -17.6544 -17.6387 -17.6387 -4.4448 -4.4448 -4.3752 -4.3752 -2.7397 -2.7397 -2.6008 -2.6008 -2.3394 -2.3394 -2.2752 -2.2752 -0.6245 -0.6245 -0.4206 -0.4206 4.0410 4.0410 4.2066 4.2066 4.6567 4.6567 4.7407 4.7407 4.9643 4.9643 5.1661 5.1661 5.7917 5.7917 5.9231 5.9231 6.1368 6.1368 6.3343 6.3343 6.8552 6.8552 7.2892 7.2892 8.0957 8.0957 8.6985 8.6985 8.7667 8.7667 9.2267 9.2267 10.9247 10.9247 11.3178 11.3178 11.9004 11.9004 12.8318 12.8318 13.4195 13.4195 k = 0.3000 0.1732-0.0000 ( 4987 PWs) bands (ev): -17.6533 -17.6533 -17.6378 -17.6378 -4.4442 -4.4442 -4.3815 -4.3815 -2.7308 -2.7308 -2.6138 -2.6138 -2.3473 -2.3473 -2.2758 -2.2758 -0.6150 -0.6150 -0.4099 -0.4099 4.0491 4.0491 4.2294 4.2294 4.6509 4.6509 4.7412 4.7412 4.9635 4.9635 5.1862 5.1862 5.7830 5.7830 5.9225 5.9225 6.1389 6.1389 6.3319 6.3319 6.7779 6.7779 7.1907 7.1907 8.1760 8.1760 8.6144 8.6144 8.7690 8.7690 9.1814 9.1814 10.9021 10.9021 11.2456 11.2456 11.9436 11.9436 12.9153 12.9153 13.3990 13.3990 k = 0.3125 0.1804-0.0000 ( 4979 PWs) bands (ev): -17.6522 -17.6522 -17.6369 -17.6369 -4.4438 -4.4438 -4.3877 -4.3877 -2.7227 -2.7227 -2.6252 -2.6252 -2.3547 -2.3547 -2.2763 -2.2763 -0.6125 -0.6125 -0.3929 -0.3929 4.0586 4.0586 4.2515 4.2515 4.6458 4.6458 4.7409 4.7409 4.9610 4.9610 5.2058 5.2058 5.7751 5.7751 5.9221 5.9221 6.1399 6.1399 6.3296 6.3296 6.7083 6.7083 7.0952 7.0952 8.2547 8.2547 8.5320 8.5320 8.7741 8.7741 9.1367 9.1367 10.8759 10.8759 11.1758 11.1758 11.9898 11.9898 12.9962 12.9962 13.3823 13.3823 k = 0.3250 0.1876-0.0000 ( 4979 PWs) bands (ev): -17.6512 -17.6512 -17.6360 -17.6360 -4.4436 -4.4436 -4.3937 -4.3937 -2.7160 -2.7160 -2.6347 -2.6347 -2.3614 -2.3614 -2.2768 -2.2768 -0.6153 -0.6153 -0.3715 -0.3715 4.0693 4.0693 4.2726 4.2726 4.6417 4.6417 4.7396 4.7396 4.9565 4.9565 5.2248 5.2248 5.7681 5.7681 5.9221 5.9221 6.1399 6.1399 6.3270 6.3270 6.6463 6.6463 7.0033 7.0033 8.3303 8.3303 8.4531 8.4531 8.7816 8.7816 9.0927 9.0927 10.8461 10.8461 11.1091 11.1091 12.0386 12.0386 13.0732 13.0732 13.3705 13.3705 k = 0.3375 0.1949-0.0000 ( 4983 PWs) bands (ev): -17.6502 -17.6502 -17.6351 -17.6351 -4.4435 -4.4435 -4.3995 -4.3995 -2.7113 -2.7113 -2.6418 -2.6418 -2.3675 -2.3675 -2.2772 -2.2772 -0.6215 -0.6215 -0.3476 -0.3476 4.0814 4.0814 4.2926 4.2926 4.6388 4.6388 4.7372 4.7372 4.9498 4.9498 5.2434 5.2434 5.7620 5.7620 5.9227 5.9227 6.1390 6.1390 6.3237 6.3237 6.5918 6.5918 6.9159 6.9159 8.3685 8.3685 8.4112 8.4112 8.7920 8.7920 9.0501 9.0501 10.8123 10.8123 11.0465 11.0465 12.0898 12.0898 13.1434 13.1434 13.3649 13.3649 k = 0.3500 0.2021-0.0000 ( 4962 PWs) bands (ev): -17.6493 -17.6493 -17.6343 -17.6343 -4.4435 -4.4435 -4.4050 -4.4050 -2.7092 -2.7092 -2.6458 -2.6458 -2.3729 -2.3729 -2.2776 -2.2776 -0.6297 -0.6297 -0.3226 -0.3226 4.0946 4.0946 4.3114 4.3114 4.6373 4.6373 4.7334 4.7334 4.9407 4.9407 5.2616 5.2616 5.7567 5.7567 5.9242 5.9242 6.1373 6.1373 6.3190 6.3190 6.5444 6.5444 6.8340 6.8340 8.3000 8.3000 8.4742 8.4742 8.8065 8.8065 9.0094 9.0094 10.7738 10.7738 10.9893 10.9893 12.1429 12.1429 13.2026 13.2026 13.3671 13.3671 k = 0.3625 0.2093-0.0000 ( 4976 PWs) bands (ev): -17.6484 -17.6484 -17.6335 -17.6335 -4.4436 -4.4436 -4.4102 -4.4102 -2.7100 -2.7100 -2.6467 -2.6467 -2.3776 -2.3776 -2.2779 -2.2779 -0.6389 -0.6389 -0.2978 -0.2978 4.1089 4.1089 4.3289 4.3289 4.6374 4.6374 4.7280 4.7280 4.9293 4.9293 5.2795 5.2795 5.7523 5.7523 5.9265 5.9265 6.1349 6.1349 6.3120 6.3120 6.5037 6.5037 6.7587 6.7587 8.2311 8.2311 8.5336 8.5336 8.8264 8.8264 8.9717 8.9717 10.7298 10.7298 10.9389 10.9389 12.1977 12.1977 13.2463 13.2463 13.3771 13.3771 k = 0.3750 0.2165-0.0000 ( 4974 PWs) bands (ev): -17.6476 -17.6476 -17.6328 -17.6328 -4.4438 -4.4438 -4.4150 -4.4150 -2.7130 -2.7130 -2.6452 -2.6452 -2.3816 -2.3816 -2.2782 -2.2782 -0.6483 -0.6483 -0.2737 -0.2737 4.1239 4.1239 4.3451 4.3451 4.6392 4.6392 4.7209 4.7209 4.9160 4.9160 5.2971 5.2971 5.7487 5.7487 5.9300 5.9300 6.1318 6.1318 6.3018 6.3018 6.4690 6.4690 6.6916 6.6916 8.1660 8.1660 8.5830 8.5830 8.8509 8.8509 8.9402 8.9402 10.6802 10.6802 10.8959 10.8959 12.2536 12.2536 13.2748 13.2748 13.3905 13.3905 k = 0.3875 0.2237-0.0000 ( 4980 PWs) bands (ev): -17.6468 -17.6468 -17.6322 -17.6322 -4.4440 -4.4440 -4.4195 -4.4195 -2.7174 -2.7174 -2.6422 -2.6422 -2.3848 -2.3848 -2.2785 -2.2785 -0.6577 -0.6577 -0.2510 -0.2510 4.1393 4.1393 4.3604 4.3604 4.6426 4.6426 4.7117 4.7117 4.9011 4.9011 5.3146 5.3146 5.7457 5.7457 5.9344 5.9344 6.1280 6.1280 6.2871 6.2871 6.4396 6.4396 6.6344 6.6344 8.1054 8.1054 8.6206 8.6206 8.8648 8.8648 8.9316 8.9316 10.6259 10.6259 10.8601 10.8601 12.3103 12.3103 13.2931 13.2931 13.3993 13.3993 k = 0.4000 0.2309-0.0000 ( 4990 PWs) bands (ev): -17.6461 -17.6461 -17.6316 -17.6316 -4.4443 -4.4443 -4.4235 -4.4235 -2.7223 -2.7223 -2.6386 -2.6386 -2.3874 -2.3874 -2.2787 -2.2787 -0.6666 -0.6666 -0.2299 -0.2299 4.1548 4.1548 4.3750 4.3750 4.6475 4.6475 4.7004 4.7004 4.8852 4.8852 5.3320 5.3320 5.7435 5.7435 5.9396 5.9396 6.1231 6.1231 6.2675 6.2675 6.4150 6.4150 6.5883 6.5883 8.0496 8.0496 8.6472 8.6472 8.8481 8.8481 8.9648 8.9648 10.5686 10.5686 10.8305 10.8305 12.3673 12.3673 13.3055 13.3055 13.3998 13.3998 k = 0.4125 0.2382-0.0000 ( 4988 PWs) bands (ev): -17.6455 -17.6455 -17.6310 -17.6310 -4.4447 -4.4447 -4.4271 -4.4271 -2.7271 -2.7271 -2.6350 -2.6350 -2.3894 -2.3894 -2.2789 -2.2789 -0.6748 -0.6748 -0.2108 -0.2108 4.1698 4.1698 4.3896 4.3896 4.6534 4.6534 4.6870 4.6870 4.8688 4.8688 5.3492 5.3492 5.7418 5.7418 5.9455 5.9455 6.1166 6.1166 6.2438 6.2438 6.3946 6.3946 6.5537 6.5537 7.9991 7.9991 8.6652 8.6652 8.8227 8.8227 9.0149 9.0149 10.5103 10.5103 10.8060 10.8060 12.4239 12.4239 13.3111 13.3111 13.3953 13.3953 k = 0.4250 0.2454-0.0000 ( 4990 PWs) bands (ev): -17.6449 -17.6449 -17.6305 -17.6305 -4.4451 -4.4451 -4.4303 -4.4303 -2.7317 -2.7317 -2.6316 -2.6316 -2.3908 -2.3908 -2.2791 -2.2791 -0.6823 -0.6823 -0.1938 -0.1938 4.1837 4.1837 4.4047 4.4047 4.6575 4.6575 4.6739 4.6739 4.8527 4.8527 5.3660 5.3660 5.7405 5.7405 5.9517 5.9517 6.1071 6.1071 6.2188 6.2188 6.3781 6.3781 6.5293 6.5293 7.9542 7.9542 8.6773 8.6773 8.7982 8.7982 9.0692 9.0692 10.4528 10.4528 10.7858 10.7858 12.4793 12.4793 13.3055 13.3055 13.3936 13.3936 k = 0.4375 0.2526-0.0000 ( 4994 PWs) bands (ev): -17.6445 -17.6445 -17.6301 -17.6301 -4.4455 -4.4455 -4.4329 -4.4329 -2.7357 -2.7357 -2.6286 -2.6286 -2.3917 -2.3917 -2.2793 -2.2793 -0.6887 -0.6887 -0.1792 -0.1792 4.1961 4.1961 4.4210 4.4210 4.6467 4.6467 4.6742 4.6742 4.8374 4.8374 5.3821 5.3821 5.7397 5.7397 5.9578 5.9578 6.0934 6.0934 6.1967 6.1967 6.3649 6.3649 6.5128 6.5128 7.9154 7.9154 8.6855 8.6855 8.7764 8.7764 9.1230 9.1230 10.3981 10.3981 10.7692 10.7692 12.5326 12.5326 13.2870 13.2870 13.3990 13.3990 k = 0.4500 0.2598-0.0000 ( 4998 PWs) bands (ev): -17.6441 -17.6441 -17.6298 -17.6298 -4.4459 -4.4459 -4.4350 -4.4350 -2.7390 -2.7390 -2.6262 -2.6262 -2.3923 -2.3923 -2.2794 -2.2794 -0.6942 -0.6942 -0.1670 -0.1670 4.2064 4.2064 4.4390 4.4390 4.6266 4.6266 4.6817 4.6817 4.8234 4.8234 5.3968 5.3968 5.7391 5.7391 5.9635 5.9635 6.0755 6.0755 6.1806 6.1806 6.3548 6.3548 6.5020 6.5020 7.8831 7.8831 8.6911 8.6911 8.7580 8.7580 9.1730 9.1730 10.3481 10.3481 10.7560 10.7560 12.5822 12.5822 13.2605 13.2605 13.4088 13.4088 k = 0.4625 0.2670-0.0000 ( 4996 PWs) bands (ev): -17.6438 -17.6438 -17.6295 -17.6295 -4.4463 -4.4463 -4.4366 -4.4366 -2.7417 -2.7417 -2.6244 -2.6244 -2.3927 -2.3927 -2.2795 -2.2795 -0.6985 -0.6985 -0.1575 -0.1575 4.2145 4.2145 4.4589 4.4589 4.6038 4.6038 4.6899 4.6899 4.8111 4.8111 5.4096 5.4096 5.7387 5.7387 5.9685 5.9685 6.0560 6.0560 6.1704 6.1704 6.3472 6.3472 6.4951 6.4951 7.8575 7.8575 8.6948 8.6948 8.7434 8.7434 9.2163 9.2163 10.3052 10.3052 10.7459 10.7459 12.6261 12.6261 13.2322 13.2322 13.4192 13.4192 k = 0.4750 0.2742-0.0000 ( 4984 PWs) bands (ev): -17.6435 -17.6435 -17.6293 -17.6293 -4.4466 -4.4466 -4.4378 -4.4378 -2.7436 -2.7436 -2.6230 -2.6230 -2.3929 -2.3929 -2.2795 -2.2795 -0.7016 -0.7016 -0.1506 -0.1506 4.2202 4.2202 4.4807 4.4807 4.5795 4.5795 4.6973 4.6973 4.8011 4.8011 5.4196 5.4196 5.7385 5.7385 5.9726 5.9726 6.0388 6.0388 6.1645 6.1645 6.3420 6.3420 6.4909 6.4909 7.8390 7.8390 8.6972 8.6972 8.7329 8.7329 9.2500 9.2500 10.2719 10.2719 10.7387 10.7387 12.6616 12.6616 13.2068 13.2068 13.4280 13.4280 k = 0.4875 0.2815-0.0000 ( 4984 PWs) bands (ev): -17.6434 -17.6434 -17.6292 -17.6292 -4.4468 -4.4468 -4.4384 -4.4384 -2.7448 -2.7448 -2.6222 -2.6222 -2.3930 -2.3930 -2.2796 -2.2796 -0.7034 -0.7034 -0.1464 -0.1464 4.2236 4.2236 4.5038 4.5038 4.5548 4.5548 4.7025 4.7025 4.7945 4.7945 5.4260 5.4260 5.7384 5.7384 5.9753 5.9753 6.0270 6.0270 6.1615 6.1615 6.3390 6.3390 6.4887 6.4887 7.8278 7.8278 8.6986 8.6986 8.7264 8.7264 9.2716 9.2716 10.2507 10.2507 10.7344 10.7344 12.6852 12.6852 13.1890 13.1890 13.4338 13.4338 k = 0.5000 0.2887-0.0000 ( 4980 PWs) bands (ev): -17.6434 -17.6434 -17.6292 -17.6292 -4.4469 -4.4469 -4.4386 -4.4386 -2.7452 -2.7452 -2.6220 -2.6220 -2.3930 -2.3930 -2.2796 -2.2796 -0.7041 -0.7041 -0.1450 -0.1450 4.2247 4.2247 4.5234 4.5234 4.5346 4.5346 4.7044 4.7044 4.7921 4.7921 5.4282 5.4282 5.7384 5.7384 5.9763 5.9763 6.0227 6.0227 6.1606 6.1606 6.3380 6.3380 6.4880 6.4880 7.8240 7.8240 8.6990 8.6990 8.7243 8.7243 9.2790 9.2790 10.2434 10.2434 10.7330 10.7330 12.6935 12.6935 13.1825 13.1825 13.4359 13.4359 k = 0.5000 0.2887-0.0000 ( 4980 PWs) bands (ev): -17.6434 -17.6434 -17.6292 -17.6292 -4.4469 -4.4469 -4.4386 -4.4386 -2.7452 -2.7452 -2.6220 -2.6220 -2.3930 -2.3930 -2.2796 -2.2796 -0.7041 -0.7041 -0.1450 -0.1450 4.2247 4.2247 4.5234 4.5234 4.5346 4.5346 4.7044 4.7044 4.7921 4.7921 5.4282 5.4282 5.7384 5.7384 5.9763 5.9763 6.0227 6.0227 6.1606 6.1606 6.3380 6.3380 6.4880 6.4880 7.8240 7.8240 8.6990 8.6990 8.7243 8.7243 9.2790 9.2790 10.2434 10.2434 10.7330 10.7330 12.6935 12.6935 13.1825 13.1825 13.4359 13.4359 k = 0.4931 0.3007-0.0000 ( 4980 PWs) bands (ev): -17.6433 -17.6433 -17.6292 -17.6292 -4.4469 -4.4469 -4.4387 -4.4387 -2.7451 -2.7451 -2.6218 -2.6218 -2.3933 -2.3933 -2.2801 -2.2801 -0.7032 -0.7032 -0.1454 -0.1454 4.2249 4.2249 4.5229 4.5229 4.5336 4.5336 4.7067 4.7067 4.7927 4.7927 5.4266 5.4266 5.7390 5.7390 5.9749 5.9749 6.0240 6.0240 6.1610 6.1610 6.3388 6.3388 6.4870 6.4870 7.8246 7.8246 8.6992 8.6992 8.7143 8.7143 9.2781 9.2781 10.2463 10.2463 10.7430 10.7430 12.6941 12.6941 13.1870 13.1870 13.4184 13.4184 k = 0.4861 0.3127-0.0000 ( 4980 PWs) bands (ev): -17.6433 -17.6433 -17.6291 -17.6291 -4.4469 -4.4469 -4.4387 -4.4387 -2.7448 -2.7448 -2.6212 -2.6212 -2.3943 -2.3943 -2.2817 -2.2817 -0.7005 -0.7005 -0.1466 -0.1466 4.2255 4.2255 4.5211 4.5211 4.5308 4.5308 4.7135 4.7135 4.7945 4.7945 5.4219 5.4219 5.7407 5.7407 5.9711 5.9711 6.0275 6.0275 6.1623 6.1623 6.3411 6.3411 6.4841 6.4841 7.8264 7.8264 8.6802 8.6802 8.7044 8.7044 9.2755 9.2755 10.2550 10.2550 10.7725 10.7725 12.6960 12.6960 13.2004 13.2004 13.3705 13.3705 k = 0.4792 0.3248-0.0000 ( 4992 PWs) bands (ev): -17.6432 -17.6432 -17.6291 -17.6291 -4.4469 -4.4469 -4.4387 -4.4387 -2.7442 -2.7442 -2.6202 -2.6202 -2.3960 -2.3960 -2.2842 -2.2842 -0.6960 -0.6960 -0.1485 -0.1485 4.2264 4.2264 4.5171 4.5171 4.5278 4.5278 4.7243 4.7243 4.7974 4.7974 5.4142 5.4142 5.7435 5.7435 5.9658 5.9658 6.0322 6.0322 6.1645 6.1645 6.3450 6.3450 6.4794 6.4794 7.8291 7.8291 8.6307 8.6307 8.7082 8.7082 9.2713 9.2713 10.2692 10.2692 10.8194 10.8194 12.6989 12.6989 13.2205 13.2205 13.3026 13.3026 k = 0.4722 0.3368-0.0000 ( 4988 PWs) bands (ev): -17.6431 -17.6431 -17.6290 -17.6290 -4.4468 -4.4468 -4.4387 -4.4387 -2.7434 -2.7434 -2.6189 -2.6189 -2.3983 -2.3983 -2.2877 -2.2877 -0.6899 -0.6899 -0.1511 -0.1511 4.2278 4.2278 4.5103 4.5103 4.5256 4.5256 4.7386 4.7386 4.8015 4.8015 5.4038 5.4038 5.7471 5.7471 5.9595 5.9595 6.0377 6.0377 6.1676 6.1676 6.3503 6.3503 6.4731 6.4731 7.8323 7.8323 8.5649 8.5649 8.7143 8.7143 9.2657 9.2657 10.2885 10.2885 10.8813 10.8813 12.7028 12.7028 13.2021 13.2021 13.2679 13.2679 k = 0.4653 0.3488-0.0000 ( 4988 PWs) bands (ev): -17.6430 -17.6430 -17.6289 -17.6289 -4.4468 -4.4468 -4.4388 -4.4388 -2.7424 -2.7424 -2.6172 -2.6172 -2.4012 -2.4012 -2.2921 -2.2921 -0.6820 -0.6820 -0.1546 -0.1546 4.2295 4.2295 4.5014 4.5014 4.5239 4.5239 4.7559 4.7559 4.8067 4.8067 5.3912 5.3912 5.7512 5.7512 5.9528 5.9528 6.0435 6.0435 6.1716 6.1716 6.3570 6.3570 6.4653 6.4653 7.8355 7.8355 8.4866 8.4866 8.7221 8.7221 9.2589 9.2589 10.3127 10.3127 10.9551 10.9551 12.7071 12.7071 13.1136 13.1136 13.3037 13.3037 k = 0.4583 0.3608-0.0000 ( 4992 PWs) bands (ev): -17.6429 -17.6429 -17.6288 -17.6288 -4.4467 -4.4467 -4.4388 -4.4388 -2.7413 -2.7413 -2.6151 -2.6151 -2.4046 -2.4046 -2.2973 -2.2973 -0.6726 -0.6726 -0.1588 -0.1588 4.2317 4.2317 4.4911 4.4911 4.5224 4.5224 4.7757 4.7757 4.8129 4.8129 5.3765 5.3765 5.7556 5.7556 5.9459 5.9459 6.0495 6.0495 6.1767 6.1767 6.3649 6.3649 6.4564 6.4564 7.8379 7.8379 8.3992 8.3992 8.7316 8.7316 9.2509 9.2509 10.3415 10.3415 11.0382 11.0382 12.7112 12.7112 13.0159 13.0159 13.3529 13.3529 k = 0.4514 0.3729-0.0000 ( 5000 PWs) bands (ev): -17.6427 -17.6427 -17.6286 -17.6286 -4.4466 -4.4466 -4.4389 -4.4389 -2.7400 -2.7400 -2.6127 -2.6127 -2.4086 -2.4086 -2.3032 -2.3032 -0.6617 -0.6617 -0.1638 -0.1638 4.2342 4.2342 4.4797 4.4797 4.5211 4.5211 4.7974 4.7974 4.8205 4.8205 5.3602 5.3602 5.7601 5.7601 5.9390 5.9390 6.0557 6.0557 6.1826 6.1826 6.3737 6.3737 6.4468 6.4468 7.8384 7.8384 8.3061 8.3061 8.7427 8.7427 9.2419 9.2419 10.3747 10.3747 11.1281 11.1281 12.7135 12.7135 12.9168 12.9168 13.4108 13.4108 k = 0.4444 0.3849-0.0000 ( 4994 PWs) bands (ev): -17.6425 -17.6425 -17.6285 -17.6285 -4.4466 -4.4466 -4.4390 -4.4390 -2.7385 -2.7385 -2.6099 -2.6099 -2.4131 -2.4131 -2.3097 -2.3097 -0.6494 -0.6494 -0.1695 -0.1695 4.2372 4.2372 4.4677 4.4677 4.5198 4.5198 4.8191 4.8191 4.8307 4.8307 5.3427 5.3427 5.7644 5.7644 5.9322 5.9322 6.0622 6.0622 6.1893 6.1893 6.3831 6.3831 6.4370 6.4370 7.8347 7.8347 8.2113 8.2113 8.7553 8.7553 9.2320 9.2320 10.4122 10.4122 11.2227 11.2227 12.7075 12.7075 12.8243 12.8243 13.4765 13.4765 k = 0.4375 0.3969-0.0000 ( 4994 PWs) bands (ev): -17.6423 -17.6423 -17.6283 -17.6283 -4.4465 -4.4465 -4.4391 -4.4391 -2.7370 -2.7370 -2.6068 -2.6068 -2.4180 -2.4180 -2.3166 -2.3166 -0.6358 -0.6358 -0.1761 -0.1761 4.2406 4.2406 4.4552 4.4552 4.5185 4.5185 4.8334 4.8334 4.8507 4.8507 5.3242 5.3242 5.7683 5.7683 5.9257 5.9257 6.0690 6.0690 6.1969 6.1969 6.3917 6.3917 6.4285 6.4285 7.8230 7.8230 8.1202 8.1202 8.7693 8.7693 9.2214 9.2214 10.4537 10.4537 11.3204 11.3204 12.6645 12.6645 12.7678 12.7678 13.5491 13.5491 k = 0.4306 0.4090-0.0000 ( 4988 PWs) bands (ev): -17.6421 -17.6421 -17.6281 -17.6281 -4.4464 -4.4464 -4.4393 -4.4393 -2.7353 -2.7353 -2.6035 -2.6035 -2.4233 -2.4233 -2.3238 -2.3238 -0.6211 -0.6211 -0.1834 -0.1834 4.2444 4.2444 4.4423 4.4423 4.5173 4.5173 4.8437 4.8437 4.8768 4.8768 5.3051 5.3051 5.7716 5.7716 5.9195 5.9195 6.0765 6.0765 6.2050 6.2050 6.3956 6.3956 6.4255 6.4255 7.7954 7.7954 8.0419 8.0419 8.7846 8.7846 9.2100 9.2100 10.4990 10.4990 11.4200 11.4200 12.5769 12.5769 12.7553 12.7553 13.6274 13.6274 k = 0.4236 0.4210-0.0000 ( 4990 PWs) bands (ev): -17.6419 -17.6419 -17.6279 -17.6279 -4.4464 -4.4464 -4.4395 -4.4395 -2.7336 -2.7336 -2.5999 -2.5999 -2.4289 -2.4289 -2.3312 -2.3312 -0.6053 -0.6053 -0.1915 -0.1915 4.2487 4.2487 4.4293 4.4293 4.5159 4.5159 4.8539 4.8539 4.9044 4.9044 5.2857 5.2857 5.7742 5.7742 5.9137 5.9137 6.0848 6.0848 6.2136 6.2136 6.3909 6.3909 6.4317 6.4317 7.7425 7.7425 7.9867 7.9867 8.8011 8.8011 9.1982 9.1982 10.5479 10.5479 11.5205 11.5205 12.4784 12.4784 12.7532 12.7532 13.7099 13.7099 k = 0.4167 0.4330-0.0000 ( 5003 PWs) bands (ev): -17.6417 -17.6417 -17.6277 -17.6277 -4.4463 -4.4463 -4.4397 -4.4397 -2.7319 -2.7319 -2.5960 -2.5960 -2.4347 -2.4347 -2.3386 -2.3386 -0.5887 -0.5887 -0.2004 -0.2004 4.2535 4.2535 4.4164 4.4164 4.5145 4.5145 4.8644 4.8644 4.9327 4.9327 5.2662 5.2662 5.7759 5.7759 5.9084 5.9084 6.0942 6.0942 6.2227 6.2227 6.3818 6.3818 6.4432 6.4432 7.6647 7.6647 7.9552 7.9552 8.8186 8.8186 9.1859 9.1859 10.6001 10.6001 11.6210 11.6210 12.3787 12.3787 12.7517 12.7517 13.7945 13.7945 k = 0.4097 0.4450-0.0000 ( 5005 PWs) bands (ev): -17.6415 -17.6415 -17.6275 -17.6275 -4.4463 -4.4463 -4.4399 -4.4399 -2.7303 -2.7303 -2.5919 -2.5919 -2.4408 -2.4408 -2.3460 -2.3460 -0.5714 -0.5714 -0.2100 -0.2100 4.2586 4.2586 4.4038 4.4038 4.5128 4.5128 4.8753 4.8753 4.9613 4.9613 5.2470 5.2470 5.7767 5.7767 5.9035 5.9035 6.1048 6.1048 6.2320 6.2320 6.3718 6.3718 6.4567 6.4567 7.5727 7.5727 7.9377 7.9377 8.8370 8.8370 9.1734 9.1734 10.6553 10.6553 11.7207 11.7207 12.2801 12.2801 12.7487 12.7487 13.8764 13.8764 k = 0.4028 0.4571-0.0000 ( 5005 PWs) bands (ev): -17.6412 -17.6412 -17.6273 -17.6273 -4.4462 -4.4462 -4.4402 -4.4402 -2.7287 -2.7287 -2.5876 -2.5876 -2.4469 -2.4469 -2.3531 -2.3531 -0.5535 -0.5535 -0.2202 -0.2202 4.2642 4.2642 4.3916 4.3916 4.5109 4.5109 4.8866 4.8866 4.9895 4.9895 5.2281 5.2281 5.7767 5.7767 5.8989 5.8989 6.1167 6.1167 6.2416 6.2416 6.3621 6.3621 6.4709 6.4709 7.4750 7.4750 7.9263 7.9263 8.8560 8.8560 9.1607 9.1607 10.7132 10.7132 11.8186 11.8186 12.1840 12.1840 12.7433 12.7433 13.9423 13.9423 k = 0.3958 0.4691-0.0000 ( 5013 PWs) bands (ev): -17.6410 -17.6410 -17.6271 -17.6271 -4.4462 -4.4462 -4.4405 -4.4405 -2.7272 -2.7272 -2.5832 -2.5832 -2.4530 -2.4530 -2.3600 -2.3600 -0.5352 -0.5352 -0.2312 -0.2312 4.2702 4.2702 4.3800 4.3800 4.5086 4.5086 4.8980 4.8980 5.0168 5.0168 5.2100 5.2100 5.7760 5.7760 5.8947 5.8947 6.1297 6.1297 6.2515 6.2515 6.3531 6.3531 6.4855 6.4855 7.3764 7.3764 7.9172 7.9172 8.8755 8.8755 9.1481 9.1481 10.7734 10.7734 11.9113 11.9113 12.0938 12.0938 12.7352 12.7352 13.9555 13.9555 k = 0.3889 0.4811-0.0000 ( 5011 PWs) bands (ev): -17.6408 -17.6408 -17.6270 -17.6270 -4.4462 -4.4462 -4.4408 -4.4408 -2.7259 -2.7259 -2.5787 -2.5787 -2.4590 -2.4590 -2.3663 -2.3663 -0.5167 -0.5167 -0.2427 -0.2427 4.2765 4.2765 4.3693 4.3693 4.5060 4.5060 4.9096 4.9096 5.0429 5.0429 5.1927 5.1927 5.7747 5.7747 5.8909 5.8909 6.1436 6.1436 6.2618 6.2618 6.3455 6.3455 6.5001 6.5001 7.2794 7.2794 7.9089 7.9089 8.8952 8.8952 9.1356 9.1356 10.8355 10.8355 11.9590 11.9590 12.0489 12.0489 12.7243 12.7243 13.9171 13.9171 k = 0.3819 0.4932-0.0000 ( 4999 PWs) bands (ev): -17.6406 -17.6406 -17.6268 -17.6268 -4.4462 -4.4462 -4.4411 -4.4411 -2.7247 -2.7247 -2.5742 -2.5742 -2.4649 -2.4649 -2.3722 -2.3722 -0.4982 -0.4982 -0.2547 -0.2547 4.2830 4.2830 4.3596 4.3596 4.5029 4.5029 4.9212 4.9212 5.0669 5.0669 5.1765 5.1765 5.7729 5.7729 5.8872 5.8872 6.1578 6.1578 6.2725 6.2725 6.3398 6.3398 6.5143 6.5143 7.1858 7.1858 7.9008 7.9008 8.9147 8.9147 9.1234 9.1234 10.8992 10.8992 11.8910 11.8910 12.1194 12.1194 12.7109 12.7109 13.8645 13.8645 k = 0.3750 0.5052-0.0000 ( 4991 PWs) bands (ev): -17.6404 -17.6404 -17.6266 -17.6266 -4.4462 -4.4462 -4.4414 -4.4414 -2.7237 -2.7237 -2.5698 -2.5698 -2.4706 -2.4706 -2.3773 -2.3773 -0.4799 -0.4799 -0.2671 -0.2671 4.2895 4.2895 4.3513 4.3513 4.4994 4.4994 4.9325 4.9325 5.0883 5.0883 5.1619 5.1619 5.7710 5.7710 5.8839 5.8839 6.1715 6.1715 6.2832 6.2832 6.3373 6.3373 6.5277 6.5277 7.0971 7.0971 7.8926 7.8926 8.9338 8.9338 9.1117 9.1117 10.9640 10.9640 11.8070 11.8070 12.2049 12.2049 12.6954 12.6954 13.8109 13.8109 k = 0.3681 0.5172-0.0000 ( 4995 PWs) bands (ev): -17.6402 -17.6402 -17.6265 -17.6265 -4.4462 -4.4462 -4.4418 -4.4418 -2.7229 -2.7229 -2.5655 -2.5655 -2.4758 -2.4758 -2.3818 -2.3818 -0.4622 -0.4622 -0.2796 -0.2796 4.2957 4.2957 4.3445 4.3445 4.4956 4.4956 4.9432 4.9432 5.1061 5.1061 5.1496 5.1496 5.7689 5.7689 5.8808 5.8808 6.1835 6.1835 6.2927 6.2927 6.3399 6.3399 6.5398 6.5398 7.0148 7.0148 7.8845 7.8845 8.9520 8.9520 9.1006 9.1006 11.0295 11.0295 11.7238 11.7238 12.2872 12.2872 12.6783 12.6783 13.7609 13.7609 k = 0.3611 0.5292-0.0000 ( 4985 PWs) bands (ev): -17.6401 -17.6401 -17.6263 -17.6263 -4.4462 -4.4462 -4.4421 -4.4421 -2.7224 -2.7224 -2.5616 -2.5616 -2.4806 -2.4806 -2.3855 -2.3855 -0.4455 -0.4455 -0.2920 -0.2920 4.3011 4.3011 4.3396 4.3396 4.4916 4.4916 4.9531 4.9531 5.1175 5.1175 5.1421 5.1421 5.7670 5.7670 5.8780 5.8780 6.1932 6.1932 6.2990 6.2990 6.3498 6.3498 6.5499 6.5499 6.9408 6.9408 7.8769 7.8769 8.9688 8.9688 9.0904 9.0904 11.0954 11.0954 11.6434 11.6434 12.3625 12.3625 12.6605 12.6605 13.7170 13.7170 k = 0.3542 0.5413-0.0000 ( 4979 PWs) bands (ev): -17.6399 -17.6399 -17.6262 -17.6262 -4.4462 -4.4462 -4.4424 -4.4424 -2.7220 -2.7220 -2.5581 -2.5581 -2.4846 -2.4846 -2.3884 -2.3884 -0.4303 -0.4303 -0.3036 -0.3036 4.3051 4.3051 4.3369 4.3369 4.4876 4.4876 4.9617 4.9617 5.1179 5.1179 5.1444 5.1444 5.7653 5.7653 5.8756 5.8756 6.2000 6.2000 6.3021 6.3021 6.3661 6.3661 6.5571 6.5571 6.8775 6.8775 7.8701 7.8701 8.9835 8.9835 9.0815 9.0815 11.1612 11.1612 11.5663 11.5663 12.4277 12.4277 12.6431 12.6431 13.6813 13.6813 k = 0.3472 0.5533-0.0000 ( 4983 PWs) bands (ev): -17.6398 -17.6398 -17.6261 -17.6261 -4.4462 -4.4462 -4.4426 -4.4426 -2.7218 -2.7218 -2.5554 -2.5554 -2.4877 -2.4877 -2.3905 -2.3905 -0.4175 -0.4175 -0.3138 -0.3138 4.3073 4.3073 4.3365 4.3365 4.4840 4.4840 4.9684 4.9684 5.1131 5.1131 5.1506 5.1506 5.7640 5.7640 5.8738 5.8738 6.2042 6.2042 6.3038 6.3038 6.3846 6.3846 6.5604 6.5604 6.8286 6.8286 7.8645 7.8645 8.9951 8.9951 9.0746 9.0746 11.2265 11.2265 11.4928 11.4928 12.4788 12.4788 12.6280 12.6280 13.6557 13.6557 k = 0.3403 0.5653-0.0000 ( 4985 PWs) bands (ev): -17.6398 -17.6398 -17.6261 -17.6261 -4.4462 -4.4462 -4.4428 -4.4428 -2.7217 -2.7217 -2.5536 -2.5536 -2.4897 -2.4897 -2.3917 -2.3917 -0.4087 -0.4087 -0.3210 -0.3210 4.3081 4.3081 4.3374 4.3374 4.4814 4.4814 4.9727 4.9727 5.1094 5.1094 5.1550 5.1550 5.7632 5.7632 5.8725 5.8725 6.2063 6.2063 6.3047 6.3047 6.4001 6.4001 6.5599 6.5599 6.7979 6.7979 7.8608 7.8608 9.0025 9.0025 9.0703 9.0703 11.2908 11.2908 11.4237 11.4237 12.5107 12.5107 12.6186 12.6186 13.6411 13.6411 k = 0.3333 0.5774-0.0000 ( 4989 PWs) bands (ev): -17.6398 -17.6398 -17.6261 -17.6261 -4.4462 -4.4462 -4.4428 -4.4428 -2.7216 -2.7216 -2.5530 -2.5530 -2.4903 -2.4903 -2.3921 -2.3921 -0.4055 -0.4055 -0.3237 -0.3237 4.3083 4.3083 4.3380 4.3380 4.4804 4.4804 4.9742 4.9742 5.1081 5.1081 5.1564 5.1564 5.7629 5.7629 5.8721 5.8721 6.2069 6.2069 6.3051 6.3051 6.4063 6.4063 6.5586 6.5586 6.7877 6.7877 7.8595 7.8595 9.0049 9.0049 9.0691 9.0691 11.3426 11.3426 11.3702 11.3702 12.5204 12.5204 12.6164 12.6164 13.6368 13.6368 k = 0.3333 0.5774-0.0000 ( 4989 PWs) bands (ev): -17.6398 -17.6398 -17.6261 -17.6261 -4.4462 -4.4462 -4.4428 -4.4428 -2.7216 -2.7216 -2.5530 -2.5530 -2.4903 -2.4903 -2.3921 -2.3921 -0.4055 -0.4055 -0.3237 -0.3237 4.3083 4.3083 4.3380 4.3380 4.4804 4.4804 4.9742 4.9742 5.1081 5.1081 5.1564 5.1564 5.7629 5.7629 5.8721 5.8721 6.2069 6.2069 6.3051 6.3051 6.4063 6.4063 6.5586 6.5586 6.7877 6.7877 7.8595 7.8595 9.0049 9.0049 9.0691 9.0691 11.3426 11.3426 11.3702 11.3702 12.5204 12.5204 12.6164 12.6164 13.6368 13.6368 k = 0.3262 0.5651-0.0000 ( 4993 PWs) bands (ev): -17.6398 -17.6398 -17.6261 -17.6261 -4.4462 -4.4462 -4.4427 -4.4427 -2.7216 -2.7216 -2.5536 -2.5536 -2.4896 -2.4896 -2.3917 -2.3917 -0.4086 -0.4086 -0.3212 -0.3212 4.3081 4.3081 4.3371 4.3371 4.4817 4.4817 4.9727 4.9727 5.1094 5.1094 5.1550 5.1550 5.7632 5.7632 5.8726 5.8726 6.2064 6.2064 6.3045 6.3045 6.3997 6.3997 6.5608 6.5608 6.7976 6.7976 7.8610 7.8610 9.0028 9.0028 9.0698 9.0698 11.2921 11.2921 11.4225 11.4225 12.5138 12.5138 12.6154 12.6154 13.6397 13.6397 k = 0.3191 0.5528-0.0000 ( 4985 PWs) bands (ev): -17.6399 -17.6399 -17.6262 -17.6262 -4.4461 -4.4461 -4.4425 -4.4425 -2.7216 -2.7216 -2.5555 -2.5555 -2.4877 -2.4877 -2.3905 -2.3905 -0.4165 -0.4165 -0.3150 -0.3150 4.3074 4.3074 4.3344 4.3344 4.4857 4.4857 4.9682 4.9682 5.1127 5.1127 5.1512 5.1512 5.7641 5.7641 5.8743 5.8743 6.2053 6.2053 6.3018 6.3018 6.3836 6.3836 6.5660 6.5660 6.8251 6.8251 7.8661 7.8661 8.9976 8.9976 9.0707 9.0707 11.2347 11.2347 11.4854 11.4854 12.4996 12.4996 12.6080 12.6080 13.6435 13.6435 k = 0.3121 0.5405-0.0000 ( 4993 PWs) bands (ev): -17.6400 -17.6400 -17.6263 -17.6263 -4.4461 -4.4461 -4.4422 -4.4422 -2.7215 -2.7215 -2.5584 -2.5584 -2.4846 -2.4846 -2.3886 -2.3886 -0.4271 -0.4271 -0.3074 -0.3074 4.3048 4.3048 4.3311 4.3311 4.4926 4.4926 4.9612 4.9612 5.1174 5.1174 5.1458 5.1458 5.7657 5.7657 5.8774 5.8774 6.2038 6.2038 6.2954 6.2954 6.3660 6.3660 6.5710 6.5710 6.8669 6.8669 7.8751 7.8751 8.9905 8.9905 9.0699 9.0699 11.1816 11.1816 11.5478 11.5478 12.4827 12.4827 12.5919 12.5919 13.6399 13.6399 k = 0.3050 0.5282-0.0000 ( 4991 PWs) bands (ev): -17.6401 -17.6401 -17.6264 -17.6264 -4.4460 -4.4460 -4.4416 -4.4416 -2.7211 -2.7211 -2.5621 -2.5621 -2.4808 -2.4808 -2.3860 -2.3860 -0.4388 -0.4388 -0.2999 -0.2999 4.2981 4.2981 4.3293 4.3293 4.5021 4.5021 4.9519 4.9519 5.1222 5.1222 5.1399 5.1399 5.7677 5.7677 5.8819 5.8819 6.2021 6.2021 6.2836 6.2836 6.3530 6.3530 6.5740 6.5740 6.9199 6.9199 7.8884 7.8884 8.9822 8.9822 9.0664 9.0664 11.1335 11.1335 11.6095 11.6095 12.4648 12.4648 12.5683 12.5683 13.6209 13.6209 k = 0.2979 0.5159-0.0000 ( 4997 PWs) bands (ev): -17.6404 -17.6404 -17.6266 -17.6266 -4.4459 -4.4459 -4.4408 -4.4408 -2.7206 -2.7206 -2.5665 -2.5665 -2.4764 -2.4764 -2.3828 -2.3828 -0.4509 -0.4509 -0.2932 -0.2932 4.2869 4.2869 4.3299 4.3299 4.5136 4.5136 4.9405 4.9405 5.1253 5.1253 5.1358 5.1358 5.7701 5.7701 5.8880 5.8880 6.2003 6.2003 6.2678 6.2678 6.3463 6.3463 6.5745 6.5745 6.9815 6.9815 7.9061 7.9061 8.9731 8.9731 9.0592 9.0592 11.0907 11.0907 11.6707 11.6707 12.4464 12.4464 12.5395 12.5395 13.5828 13.5828 k = 0.2908 0.5036-0.0000 ( 5005 PWs) bands (ev): -17.6406 -17.6406 -17.6268 -17.6268 -4.4458 -4.4458 -4.4399 -4.4399 -2.7197 -2.7197 -2.5714 -2.5714 -2.4716 -2.4716 -2.3790 -2.3790 -0.4627 -0.4627 -0.2880 -0.2880 4.2722 4.2722 4.3321 4.3321 4.5265 4.5265 4.9271 4.9271 5.1235 5.1235 5.1369 5.1369 5.7727 5.7727 5.8956 5.8956 6.1985 6.1985 6.2513 6.2513 6.3440 6.3440 6.5732 6.5732 7.0498 7.0498 7.9285 7.9285 8.9632 8.9632 9.0480 9.0480 11.0533 11.0533 11.7316 11.7316 12.4269 12.4269 12.5083 12.5083 13.5265 13.5265 k = 0.2837 0.4914-0.0000 ( 5001 PWs) bands (ev): -17.6410 -17.6410 -17.6271 -17.6271 -4.4456 -4.4456 -4.4387 -4.4387 -2.7185 -2.7185 -2.5767 -2.5767 -2.4664 -2.4664 -2.3748 -2.3748 -0.4740 -0.4740 -0.2846 -0.2846 4.2552 4.2552 4.3350 4.3350 4.5405 4.5405 4.9121 4.9121 5.1198 5.1198 5.1402 5.1402 5.7753 5.7753 5.9044 5.9044 6.1970 6.1970 6.2368 6.2368 6.3445 6.3445 6.5706 6.5706 7.1234 7.1234 7.9556 7.9556 8.9524 8.9524 9.0326 9.0326 11.0215 11.0215 11.7926 11.7926 12.4047 12.4047 12.4783 12.4783 13.4556 13.4556 k = 0.2766 0.4791-0.0000 ( 4997 PWs) bands (ev): -17.6414 -17.6414 -17.6275 -17.6275 -4.4454 -4.4454 -4.4372 -4.4372 -2.7169 -2.7169 -2.5824 -2.5824 -2.4610 -2.4610 -2.3703 -2.3703 -0.4845 -0.4845 -0.2832 -0.2832 4.2368 4.2368 4.3380 4.3380 4.5549 4.5549 4.8956 4.8956 5.1171 5.1171 5.1433 5.1433 5.7777 5.7777 5.9137 5.9137 6.1962 6.1962 6.2256 6.2256 6.3472 6.3472 6.5677 6.5677 7.2012 7.2012 7.9874 7.9874 8.9402 8.9402 9.0131 9.0131 10.9954 10.9954 11.8538 11.8538 12.3774 12.3774 12.4532 12.4532 13.3741 13.3741 k = 0.2695 0.4668-0.0000 ( 5001 PWs) bands (ev): -17.6418 -17.6418 -17.6279 -17.6279 -4.4451 -4.4451 -4.4354 -4.4354 -2.7148 -2.7148 -2.5885 -2.5885 -2.4554 -2.4554 -2.3654 -2.3654 -0.4939 -0.4939 -0.2840 -0.2840 4.2175 4.2175 4.3407 4.3407 4.5695 4.5695 4.8782 4.8782 5.1156 5.1156 5.1458 5.1458 5.7797 5.7797 5.9229 5.9229 6.1966 6.1966 6.2180 6.2180 6.3523 6.3523 6.5653 6.5653 7.2824 7.2824 8.0239 8.0239 8.9259 8.9259 8.9903 8.9903 10.9753 10.9753 11.9155 11.9155 12.3442 12.3442 12.4348 12.4348 13.2856 13.2856 k = 0.2624 0.4545-0.0000 ( 4995 PWs) bands (ev): -17.6423 -17.6423 -17.6283 -17.6283 -4.4448 -4.4448 -4.4333 -4.4333 -2.7123 -2.7123 -2.5949 -2.5949 -2.4496 -2.4496 -2.3603 -2.3603 -0.5022 -0.5022 -0.2871 -0.2871 4.1977 4.1977 4.3428 4.3428 4.5839 4.5839 4.8602 4.8602 5.1151 5.1151 5.1479 5.1479 5.7814 5.7814 5.9308 5.9308 6.1988 6.1988 6.2138 6.2138 6.3605 6.3605 6.5642 6.5642 7.3664 7.3664 8.0650 8.0650 8.9077 8.9077 8.9658 8.9658 10.9612 10.9612 11.9778 11.9778 12.3070 12.3070 12.4221 12.4221 13.1924 13.1924 k = 0.2553 0.4422-0.0000 ( 5007 PWs) bands (ev): -17.6429 -17.6429 -17.6288 -17.6288 -4.4445 -4.4445 -4.4309 -4.4309 -2.7093 -2.7093 -2.6016 -2.6016 -2.4436 -2.4436 -2.3551 -2.3551 -0.5091 -0.5091 -0.2927 -0.2927 4.1780 4.1780 4.3440 4.3440 4.5976 4.5976 4.8421 4.8421 5.1147 5.1147 5.1500 5.1500 5.7825 5.7825 5.9369 5.9369 6.2017 6.2017 6.2137 6.2137 6.3730 6.3730 6.5654 6.5654 7.4527 7.4527 8.1105 8.1105 8.8826 8.8826 8.9426 8.9426 10.9531 10.9531 12.0405 12.0405 12.2679 12.2679 12.4139 12.4139 13.0965 13.0965 k = 0.2482 0.4299-0.0000 ( 5001 PWs) bands (ev): -17.6435 -17.6435 -17.6293 -17.6293 -4.4442 -4.4442 -4.4282 -4.4282 -2.7059 -2.7059 -2.6086 -2.6086 -2.4374 -2.4374 -2.3498 -2.3498 -0.5147 -0.5147 -0.3007 -0.3007 4.1585 4.1585 4.3439 4.3439 4.6106 4.6106 4.8243 4.8243 5.1136 5.1136 5.1527 5.1527 5.7831 5.7831 5.9407 5.9407 6.2029 6.2029 6.2186 6.2186 6.3915 6.3915 6.5697 6.5697 7.5407 7.5407 8.1603 8.1603 8.8485 8.8485 8.9231 8.9231 10.9511 10.9511 12.1031 12.1031 12.2282 12.2282 12.4095 12.4095 12.9994 12.9994 k = 0.2411 0.4177-0.0000 ( 4993 PWs) bands (ev): -17.6442 -17.6442 -17.6299 -17.6299 -4.4439 -4.4439 -4.4252 -4.4252 -2.7020 -2.7020 -2.6158 -2.6158 -2.4310 -2.4310 -2.3444 -2.3444 -0.5187 -0.5187 -0.3113 -0.3113 4.1397 4.1397 4.3424 4.3424 4.6227 4.6227 4.8074 4.8074 5.1110 5.1110 5.1565 5.1565 5.7832 5.7832 5.9422 5.9422 6.2030 6.2030 6.2261 6.2261 6.4175 6.4175 6.5779 6.5779 7.6301 7.6301 8.2143 8.2143 8.8063 8.8063 8.9065 8.9065 10.9551 10.9551 12.1626 12.1626 12.1904 12.1904 12.4091 12.4091 12.9025 12.9025 k = 0.2340 0.4054-0.0000 ( 4999 PWs) bands (ev): -17.6450 -17.6450 -17.6306 -17.6306 -4.4436 -4.4436 -4.4218 -4.4218 -2.6980 -2.6980 -2.6230 -2.6230 -2.4243 -2.4243 -2.3391 -2.3391 -0.5212 -0.5212 -0.3243 -0.3243 4.1218 4.1218 4.3391 4.3391 4.6336 4.6336 4.7916 4.7916 5.1065 5.1065 5.1611 5.1611 5.7830 5.7830 5.9418 5.9418 6.2029 6.2029 6.2340 6.2340 6.4518 6.4518 6.5909 6.5909 7.7204 7.7204 8.2722 8.2722 8.7578 8.7578 8.8917 8.8917 10.9650 10.9650 12.1478 12.1478 12.2234 12.2234 12.4140 12.4140 12.8075 12.8075 k = 0.2270 0.3931-0.0000 ( 4991 PWs) bands (ev): -17.6457 -17.6457 -17.6312 -17.6312 -4.4434 -4.4434 -4.4180 -4.4180 -2.6939 -2.6939 -2.6299 -2.6299 -2.4173 -2.4173 -2.3338 -2.3338 -0.5222 -0.5222 -0.3399 -0.3399 4.1050 4.1050 4.3338 4.3338 4.6434 4.6434 4.7773 4.7773 5.1005 5.1005 5.1659 5.1659 5.7827 5.7827 5.9402 5.9402 6.2026 6.2026 6.2411 6.2411 6.4941 6.4941 6.6099 6.6099 7.8114 7.8114 8.3338 8.3338 8.7044 8.7044 8.8777 8.8777 10.9808 10.9808 12.1097 12.1097 12.2708 12.2708 12.4266 12.4266 12.7178 12.7178 k = 0.2199 0.3808-0.0000 ( 4991 PWs) bands (ev): -17.6466 -17.6466 -17.6320 -17.6320 -4.4432 -4.4432 -4.4140 -4.4140 -2.6905 -2.6905 -2.6358 -2.6358 -2.4100 -2.4100 -2.3286 -2.3286 -0.5216 -0.5216 -0.3578 -0.3578 4.0895 4.0895 4.3265 4.3265 4.6521 4.6521 4.7647 4.7647 5.0931 5.0931 5.1701 5.1701 5.7825 5.7825 5.9377 5.9377 6.2018 6.2018 6.2476 6.2476 6.5433 6.5433 6.6361 6.6361 7.9027 7.9027 8.3981 8.3981 8.6474 8.6474 8.8643 8.8643 11.0023 11.0023 12.0721 12.0721 12.3013 12.3013 12.4448 12.4448 12.6433 12.6433 k = 0.2128 0.3685-0.0000 ( 4987 PWs) bands (ev): -17.6475 -17.6475 -17.6327 -17.6327 -4.4430 -4.4430 -4.4096 -4.4096 -2.6887 -2.6887 -2.6397 -2.6397 -2.4024 -2.4024 -2.3236 -2.3236 -0.5196 -0.5196 -0.3781 -0.3781 4.0753 4.0753 4.3169 4.3169 4.6596 4.6596 4.7538 4.7538 5.0846 5.0846 5.1729 5.1729 5.7828 5.7828 5.9347 5.9347 6.2002 6.2002 6.2539 6.2539 6.5967 6.5967 6.6717 6.6717 7.9940 7.9940 8.4616 8.4616 8.5909 8.5909 8.8514 8.8514 11.0294 11.0294 12.0352 12.0352 12.3098 12.3098 12.4435 12.4435 12.6134 12.6134 k = 0.2057 0.3562-0.0000 ( 4985 PWs) bands (ev): -17.6484 -17.6484 -17.6335 -17.6335 -4.4430 -4.4430 -4.4049 -4.4049 -2.6899 -2.6899 -2.6402 -2.6402 -2.3946 -2.3946 -2.3187 -2.3187 -0.5163 -0.5163 -0.4004 -0.4004 4.0626 4.0626 4.3052 4.3052 4.6662 4.6662 4.7448 4.7448 5.0753 5.0753 5.1738 5.1738 5.7839 5.7839 5.9316 5.9316 6.1977 6.1977 6.2602 6.2602 6.6511 6.6511 6.7198 6.7198 8.0850 8.0850 8.4876 8.4876 8.5718 8.5718 8.8392 8.8392 11.0617 11.0617 11.9991 11.9991 12.2899 12.2899 12.4121 12.4121 12.6449 12.6449 k = 0.1986 0.3440-0.0000 ( 4983 PWs) bands (ev): -17.6494 -17.6494 -17.6344 -17.6344 -4.4430 -4.4430 -4.3999 -4.3999 -2.6943 -2.6943 -2.6369 -2.6369 -2.3864 -2.3864 -2.3141 -2.3141 -0.5119 -0.5119 -0.4244 -0.4244 4.0513 4.0513 4.2914 4.2914 4.6720 4.6720 4.7374 4.7374 5.0654 5.0654 5.1724 5.1724 5.7861 5.7861 5.9285 5.9285 6.1940 6.1940 6.2668 6.2668 6.7047 6.7047 6.7815 6.7815 8.1755 8.1755 8.4350 8.4350 8.6316 8.6316 8.8277 8.8277 11.0992 11.0992 11.9634 11.9634 12.2347 12.2347 12.3898 12.3898 12.7050 12.7050 k = 0.1915 0.3317-0.0000 ( 4995 PWs) bands (ev): -17.6504 -17.6504 -17.6353 -17.6353 -4.4431 -4.4431 -4.3946 -4.3946 -2.7014 -2.7014 -2.6304 -2.6304 -2.3779 -2.3779 -2.3096 -2.3096 -0.5076 -0.5076 -0.4490 -0.4490 4.0416 4.0416 4.2756 4.2756 4.6772 4.6772 4.7316 4.7316 5.0551 5.0551 5.1684 5.1684 5.7894 5.7894 5.9256 5.9256 6.1893 6.1893 6.2737 6.2737 6.7598 6.7598 6.8542 6.8542 8.2639 8.2639 8.3680 8.3680 8.7069 8.7069 8.8175 8.8175 11.1414 11.1414 11.9276 11.9276 12.1596 12.1596 12.3794 12.3794 12.7749 12.7749 k = 0.1844 0.3194-0.0000 ( 4995 PWs) bands (ev): -17.6514 -17.6514 -17.6362 -17.6362 -4.4433 -4.4433 -4.3891 -4.3891 -2.7100 -2.7100 -2.6218 -2.6218 -2.3692 -2.3692 -2.3054 -2.3054 -0.5080 -0.5080 -0.4695 -0.4695 4.0332 4.0332 4.2580 4.2580 4.6819 4.6819 4.7270 4.7270 5.0445 5.0445 5.1617 5.1617 5.7941 5.7941 5.9228 5.9228 6.1836 6.1836 6.2808 6.2808 6.8190 6.8190 6.9349 6.9349 8.2861 8.2861 8.3624 8.3624 8.7816 8.7816 8.8133 8.8133 11.1881 11.1881 11.8907 11.8907 12.0797 12.0797 12.3715 12.3715 12.8488 12.8488 k = 0.1773 0.3071-0.0000 ( 4999 PWs) bands (ev): -17.6525 -17.6525 -17.6371 -17.6371 -4.4437 -4.4437 -4.3834 -4.3834 -2.7195 -2.7195 -2.6114 -2.6114 -2.3601 -2.3601 -2.3014 -2.3014 -0.5246 -0.5246 -0.4743 -0.4743 4.0263 4.0263 4.2390 4.2390 4.6865 4.6865 4.7234 4.7234 5.0339 5.0339 5.1525 5.1525 5.8001 5.8001 5.9204 5.9204 6.1770 6.1770 6.2882 6.2882 6.8837 6.8837 7.0216 7.0216 8.2136 8.2136 8.4487 8.4487 8.7948 8.7948 8.8743 8.8743 11.2388 11.2388 11.8506 11.8506 12.0028 12.0028 12.3617 12.3617 12.9240 12.9240 k = 0.1702 0.2948-0.0000 ( 4991 PWs) bands (ev): -17.6536 -17.6536 -17.6380 -17.6380 -4.4442 -4.4442 -4.3775 -4.3775 -2.7295 -2.7295 -2.5998 -2.5998 -2.3509 -2.3509 -2.2976 -2.2976 -0.5530 -0.5530 -0.4678 -0.4678 4.0206 4.0206 4.2186 4.2186 4.6910 4.6910 4.7206 4.7206 5.0234 5.0234 5.1410 5.1410 5.8074 5.8074 5.9182 5.9182 6.1698 6.1698 6.2957 6.2957 6.9542 6.9542 7.1133 7.1133 8.1364 8.1364 8.5372 8.5372 8.7887 8.7887 8.9576 8.9576 11.2928 11.2928 11.8038 11.8038 11.9346 11.9346 12.3478 12.3478 12.9989 12.9989 k = 0.1631 0.2825-0.0000 ( 4987 PWs) bands (ev): -17.6547 -17.6547 -17.6390 -17.6390 -4.4448 -4.4448 -4.3715 -4.3715 -2.7398 -2.7398 -2.5871 -2.5871 -2.3415 -2.3415 -2.2941 -2.2941 -0.5855 -0.5855 -0.4576 -0.4576 4.0160 4.0160 4.1973 4.1973 4.6956 4.6956 4.7182 4.7182 5.0130 5.0130 5.1275 5.1275 5.8157 5.8157 5.9163 5.9163 6.1619 6.1619 6.3032 6.3032 7.0306 7.0306 7.2093 7.2093 8.0576 8.0576 8.6253 8.6253 8.7835 8.7835 9.0426 9.0426 11.3489 11.3489 11.7476 11.7476 11.8797 11.8797 12.3278 12.3278 13.0719 13.0719 k = 0.1560 0.2702-0.0000 ( 4985 PWs) bands (ev): -17.6558 -17.6558 -17.6399 -17.6399 -4.4456 -4.4456 -4.3653 -4.3653 -2.7502 -2.7502 -2.5734 -2.5734 -2.3319 -2.3319 -2.2907 -2.2907 -0.6199 -0.6199 -0.4458 -0.4458 4.0125 4.0125 4.1753 4.1753 4.7003 4.7003 4.7161 4.7161 5.0031 5.0031 5.1123 5.1123 5.8251 5.8251 5.9148 5.9148 6.1535 6.1535 6.3107 6.3107 7.1129 7.1129 7.3091 7.3091 7.9780 7.9780 8.7110 8.7110 8.7818 8.7818 9.1281 9.1281 11.4040 11.4040 11.6863 11.6863 11.8371 11.8371 12.3006 12.3006 13.1416 13.1416 k = 0.1489 0.2580-0.0000 ( 4971 PWs) bands (ev): -17.6570 -17.6570 -17.6409 -17.6409 -4.4465 -4.4465 -4.3590 -4.3590 -2.7605 -2.7605 -2.5588 -2.5588 -2.3221 -2.3221 -2.2876 -2.2876 -0.6558 -0.6558 -0.4328 -0.4328 4.0099 4.0099 4.1529 4.1529 4.7051 4.7051 4.7142 4.7142 4.9936 4.9936 5.0959 5.0959 5.8353 5.8353 5.9135 5.9135 6.1448 6.1448 6.3182 6.3182 7.2007 7.2007 7.4121 7.4121 7.8983 7.8983 8.7644 8.7644 8.8136 8.8136 9.2133 9.2133 11.4478 11.4478 11.6344 11.6344 11.8025 11.8025 12.2648 12.2648 13.2055 13.2055 k = 0.1418 0.2457-0.0000 ( 4979 PWs) bands (ev): -17.6581 -17.6581 -17.6419 -17.6419 -4.4476 -4.4476 -4.3528 -4.3528 -2.7706 -2.7706 -2.5433 -2.5433 -2.3124 -2.3124 -2.2846 -2.2846 -0.6927 -0.6927 -0.4191 -0.4191 4.0080 4.0080 4.1302 4.1302 4.7095 4.7095 4.7130 4.7130 4.9846 4.9846 5.0786 5.0786 5.8463 5.8463 5.9124 5.9124 6.1358 6.1358 6.3255 6.3255 7.2938 7.2938 7.5168 7.5168 7.8197 7.8197 8.7685 8.7685 8.8960 8.8960 9.2976 9.2976 11.4500 11.4500 11.6248 11.6248 11.7732 11.7732 12.2198 12.2198 13.2600 13.2600 k = 0.1348 0.2334-0.0000 ( 4981 PWs) bands (ev): -17.6592 -17.6592 -17.6428 -17.6428 -4.4488 -4.4488 -4.3465 -4.3465 -2.7805 -2.7805 -2.5271 -2.5271 -2.3027 -2.3027 -2.2818 -2.2818 -0.7304 -0.7304 -0.4047 -0.4047 4.0067 4.0067 4.1076 4.1076 4.7095 4.7095 4.7162 4.7162 4.9764 4.9764 5.0608 5.0608 5.8579 5.8579 5.9117 5.9117 6.1265 6.1265 6.3328 6.3328 7.3918 7.3918 7.6163 7.6163 7.7495 7.7495 8.7695 8.7695 8.9824 8.9824 9.3805 9.3805 11.4039 11.4039 11.6624 11.6624 11.7507 11.7507 12.1654 12.1654 13.2984 13.2984 k = 0.1277 0.2211-0.0000 ( 4977 PWs) bands (ev): -17.6603 -17.6603 -17.6438 -17.6438 -4.4502 -4.4502 -4.3402 -4.3402 -2.7901 -2.7901 -2.5101 -2.5101 -2.2933 -2.2933 -2.2788 -2.2788 -0.7686 -0.7686 -0.3900 -0.3900 4.0056 4.0056 4.0853 4.0853 4.7076 4.7076 4.7213 4.7213 4.9689 4.9689 5.0428 5.0428 5.8701 5.8701 5.9113 5.9113 6.1172 6.1172 6.3398 6.3398 7.4944 7.4944 7.6330 7.6330 7.7653 7.7653 8.7715 8.7715 9.0687 9.0687 9.4616 9.4616 11.3411 11.3411 11.6902 11.6902 11.7590 11.7590 12.1025 12.1025 13.3116 13.3116 k = 0.1206 0.2088-0.0000 ( 4981 PWs) bands (ev): -17.6614 -17.6614 -17.6447 -17.6447 -4.4516 -4.4516 -4.3341 -4.3341 -2.7994 -2.7994 -2.4925 -2.4925 -2.2849 -2.2849 -2.2752 -2.2752 -0.8071 -0.8071 -0.3750 -0.3750 4.0046 4.0046 4.0638 4.0638 4.7054 4.7054 4.7264 4.7264 4.9623 4.9623 5.0249 5.0249 5.8824 5.8824 5.9114 5.9114 6.1079 6.1079 6.3467 6.3467 7.5624 7.5624 7.6031 7.6031 7.8697 7.8697 8.7748 8.7748 9.1539 9.1539 9.5408 9.5408 11.2753 11.2753 11.6760 11.6760 11.8135 11.8135 12.0346 12.0346 13.2971 13.2971 k = 0.1135 0.1965-0.0000 ( 4977 PWs) bands (ev): -17.6625 -17.6625 -17.6456 -17.6456 -4.4532 -4.4532 -4.3280 -4.3280 -2.8082 -2.8082 -2.4744 -2.4744 -2.2790 -2.2790 -2.2693 -2.2693 -0.8457 -0.8457 -0.3599 -0.3599 4.0028 4.0028 4.0439 4.0439 4.7030 4.7030 4.7315 4.7315 4.9566 4.9566 5.0075 5.0075 5.8938 5.8938 5.9132 5.9132 6.0987 6.0987 6.3534 6.3534 7.4869 7.4869 7.7132 7.7132 7.9845 7.9845 8.7795 8.7795 9.2373 9.2373 9.6181 9.6181 11.2104 11.2104 11.6527 11.6527 11.8565 11.8565 11.9829 11.9829 13.2653 13.2653 k = 0.1064 0.1843-0.0000 ( 4977 PWs) bands (ev): -17.6635 -17.6635 -17.6465 -17.6465 -4.4548 -4.4548 -4.3222 -4.3222 -2.8166 -2.8166 -2.4557 -2.4557 -2.2757 -2.2757 -2.2611 -2.2611 -0.8841 -0.8841 -0.3449 -0.3449 3.9980 3.9980 4.0278 4.0278 4.7005 4.7005 4.7362 4.7362 4.9517 4.9517 4.9908 4.9908 5.9011 5.9011 5.9198 5.9198 6.0897 6.0897 6.3598 6.3598 7.4102 7.4102 7.8281 7.8281 8.1025 8.1025 8.7856 8.7856 9.3179 9.3179 9.6935 9.6935 11.1480 11.1480 11.6274 11.6274 11.8161 11.8161 12.0113 12.0113 13.2262 13.2262 k = 0.0993 0.1720-0.0000 ( 4985 PWs) bands (ev): -17.6645 -17.6645 -17.6474 -17.6474 -4.4566 -4.4566 -4.3165 -4.3165 -2.8244 -2.8244 -2.4368 -2.4368 -2.2734 -2.2734 -2.2523 -2.2523 -0.9222 -0.9222 -0.3301 -0.3301 3.9867 3.9867 4.0191 4.0191 4.6978 4.6978 4.7404 4.7404 4.9476 4.9476 4.9753 4.9753 5.9034 5.9034 5.9321 5.9321 6.0810 6.0810 6.3660 6.3660 7.3344 7.3344 7.9465 7.9465 8.2222 8.2222 8.7929 8.7929 9.3948 9.3948 9.7675 9.7675 11.0886 11.0886 11.6001 11.6001 11.7293 11.7293 12.0827 12.0827 13.1851 13.1851 k = 0.0922 0.1597-0.0000 ( 4981 PWs) bands (ev): -17.6655 -17.6655 -17.6482 -17.6482 -4.4583 -4.4583 -4.3110 -4.3110 -2.8318 -2.8318 -2.4176 -2.4176 -2.2714 -2.2714 -2.2435 -2.2435 -0.9597 -0.9597 -0.3156 -0.3156 3.9706 3.9706 4.0162 4.0162 4.6949 4.6949 4.7441 4.7441 4.9439 4.9439 4.9615 4.9615 5.9036 5.9036 5.9469 5.9469 6.0728 6.0728 6.3720 6.3720 7.2601 7.2601 8.0682 8.0682 8.3429 8.3429 8.8013 8.8013 9.4666 9.4666 9.8410 9.8410 11.0327 11.0327 11.5635 11.5635 11.6381 11.6381 12.1624 12.1624 13.1443 13.1443 k = 0.0851 0.1474-0.0000 ( 4979 PWs) bands (ev): -17.6664 -17.6664 -17.6490 -17.6490 -4.4601 -4.4601 -4.3059 -4.3059 -2.8386 -2.8386 -2.3984 -2.3984 -2.2697 -2.2697 -2.2349 -2.2349 -0.9964 -0.9964 -0.3016 -0.3016 3.9534 3.9534 4.0155 4.0155 4.6920 4.6920 4.7469 4.7469 4.9394 4.9394 4.9509 4.9509 5.9033 5.9033 5.9628 5.9628 6.0652 6.0652 6.3777 6.3777 7.1877 7.1877 8.1929 8.1929 8.4640 8.4640 8.8106 8.8106 9.5320 9.5320 9.9145 9.9145 10.9805 10.9805 11.4873 11.4873 11.5790 11.5790 12.2442 12.2442 13.1050 13.1050 k = 0.0780 0.1351-0.0000 ( 4983 PWs) bands (ev): -17.6672 -17.6672 -17.6497 -17.6497 -4.4619 -4.4619 -4.3010 -4.3010 -2.8449 -2.8449 -2.3794 -2.3794 -2.2679 -2.2679 -2.2268 -2.2268 -1.0319 -1.0319 -0.2882 -0.2882 3.9365 3.9365 4.0155 4.0155 4.6890 4.6890 4.7488 4.7488 4.9319 4.9319 4.9458 4.9458 5.9026 5.9026 5.9791 5.9791 6.0586 6.0586 6.3833 6.3833 7.1174 7.1174 8.3205 8.3205 8.5846 8.5846 8.8206 8.8206 9.5899 9.5899 9.9889 9.9889 10.9317 10.9317 11.3775 11.3775 11.5484 11.5484 12.3260 12.3260 13.0678 13.0678 k = 0.0709 0.1228-0.0000 ( 4985 PWs) bands (ev): -17.6680 -17.6680 -17.6504 -17.6504 -4.4636 -4.4636 -4.2964 -4.2964 -2.8507 -2.8507 -2.3609 -2.3609 -2.2661 -2.2661 -2.2190 -2.2190 -1.0660 -1.0660 -0.2756 -0.2756 3.9205 3.9205 4.0159 4.0159 4.6859 4.6859 4.7496 4.7496 4.9235 4.9235 4.9440 4.9440 5.9018 5.9018 5.9950 5.9950 6.0537 6.0537 6.3887 6.3887 7.0496 7.0496 8.4505 8.4505 8.7041 8.7041 8.8310 8.8310 9.6397 9.6397 10.0643 10.0643 10.8861 10.8861 11.2578 11.2578 11.5241 11.5241 12.4063 12.4063 13.0329 13.0329 k = 0.0638 0.1106-0.0000 ( 4991 PWs) bands (ev): -17.6688 -17.6688 -17.6511 -17.6511 -4.4653 -4.4653 -4.2922 -4.2922 -2.8559 -2.8559 -2.3433 -2.3433 -2.2641 -2.2641 -2.2118 -2.2118 -1.0985 -1.0985 -0.2637 -0.2637 3.9057 3.9057 4.0163 4.0163 4.6829 4.6829 4.7493 4.7493 4.9163 4.9163 4.9437 4.9437 5.9009 5.9009 6.0084 6.0084 6.0526 6.0526 6.3940 6.3940 6.9845 6.9845 8.5829 8.5829 8.8215 8.8215 8.8417 8.8417 9.6812 9.6812 10.1406 10.1406 10.8428 10.8428 11.1338 11.1338 11.5021 11.5021 12.4838 12.4838 12.9976 12.9977 k = 0.0567 0.0983-0.0000 ( 4985 PWs) bands (ev): -17.6694 -17.6694 -17.6516 -17.6516 -4.4668 -4.4668 -4.2884 -4.2884 -2.8605 -2.8605 -2.3269 -2.3269 -2.2617 -2.2617 -2.2052 -2.2052 -1.1289 -1.1289 -0.2529 -0.2529 3.8921 3.8921 4.0168 4.0168 4.6800 4.6800 4.7481 4.7481 4.9106 4.9106 4.9440 4.9440 5.8999 5.8999 6.0157 6.0157 6.0587 6.0587 6.3994 6.3994 6.9225 6.9225 8.7172 8.7172 8.8523 8.8523 8.9355 8.9355 9.7149 9.7149 10.2167 10.2167 10.7994 10.7994 11.0093 11.0093 11.4818 11.4818 12.5570 12.5570 12.9089 12.9089 k = 0.0496 0.0860-0.0000 ( 4987 PWs) bands (ev): -17.6700 -17.6700 -17.6522 -17.6522 -4.4683 -4.4683 -4.2850 -4.2850 -2.8646 -2.8646 -2.3123 -2.3123 -2.2585 -2.2585 -2.1992 -2.1992 -1.1570 -1.1570 -0.2430 -0.2430 3.8799 3.8799 4.0173 4.0173 4.6773 4.6773 4.7460 4.7460 4.9065 4.9065 4.9447 4.9447 5.8989 5.8989 6.0165 6.0165 6.0721 6.0721 6.4050 6.4050 6.8638 6.8638 8.8487 8.8487 8.8673 8.8673 9.0450 9.0450 9.7416 9.7416 10.2913 10.2913 10.7486 10.7486 10.8924 10.8924 11.4630 11.4630 12.6244 12.6244 12.8111 12.8111 k = 0.0426 0.0737-0.0000 ( 4987 PWs) bands (ev): -17.6706 -17.6706 -17.6526 -17.6526 -4.4696 -4.4696 -4.2820 -4.2820 -2.8681 -2.8681 -2.3004 -2.3004 -2.2542 -2.2542 -2.1940 -2.1940 -1.1824 -1.1824 -0.2343 -0.2343 3.8691 3.8691 4.0177 4.0177 4.6748 4.6748 4.7434 4.7434 4.9037 4.9037 4.9457 4.9457 5.8979 5.8979 6.0143 6.0143 6.0890 6.0890 6.4109 6.4109 6.8090 6.8090 8.8706 8.8706 8.9927 8.9927 9.1480 9.1480 9.7623 9.7623 10.3622 10.3622 10.6693 10.6693 10.8049 10.8049 11.4458 11.4458 12.6817 12.6817 12.7174 12.7174 k = 0.0355 0.0614-0.0000 ( 4999 PWs) bands (ev): -17.6710 -17.6710 -17.6530 -17.6530 -4.4708 -4.4708 -4.2794 -4.2794 -2.8710 -2.8710 -2.2915 -2.2915 -2.2485 -2.2485 -2.1894 -2.1894 -1.2047 -1.2047 -0.2268 -0.2268 3.8599 3.8599 4.0180 4.0180 4.6726 4.6726 4.7406 4.7406 4.9019 4.9019 4.9468 4.9468 5.8970 5.8970 6.0114 6.0114 6.1067 6.1067 6.4173 6.4173 6.7585 6.7585 8.8793 8.8793 9.1316 9.1316 9.2428 9.2428 9.7782 9.7782 10.4251 10.4251 10.5559 10.5559 10.7554 10.7554 11.4305 11.4305 12.6228 12.6228 12.6452 12.6452 k = 0.0284 0.0491-0.0000 ( 5003 PWs) bands (ev): -17.6714 -17.6714 -17.6533 -17.6533 -4.4717 -4.4717 -4.2773 -4.2773 -2.8735 -2.8735 -2.2855 -2.2855 -2.2420 -2.2420 -2.1856 -2.1856 -1.2237 -1.2237 -0.2205 -0.2205 3.8524 3.8524 4.0183 4.0183 4.6707 4.6707 4.7378 4.7378 4.9010 4.9010 4.9479 4.9479 5.8962 5.8962 6.0086 6.0086 6.1236 6.1236 6.4244 6.4244 6.7131 6.7131 8.8867 8.8867 9.2707 9.2707 9.3274 9.3274 9.7903 9.7903 10.4091 10.4091 10.4969 10.4969 10.7246 10.7246 11.4172 11.4172 12.5458 12.5458 12.5736 12.5736 k = 0.0213 0.0369-0.0000 ( 5009 PWs) bands (ev): -17.6717 -17.6717 -17.6536 -17.6536 -4.4725 -4.4725 -4.2756 -4.2756 -2.8753 -2.8753 -2.2819 -2.2819 -2.2355 -2.2355 -2.1826 -2.1826 -1.2388 -1.2388 -0.2156 -0.2156 3.8464 3.8464 4.0186 4.0186 4.6692 4.6692 4.7354 4.7354 4.9005 4.9005 4.9488 4.9488 5.8956 5.8956 6.0063 6.0063 6.1385 6.1385 6.4320 6.4320 6.6739 6.6739 8.8926 8.8926 9.3881 9.3881 9.4205 9.4205 9.7994 9.7994 10.2771 10.2771 10.5363 10.5363 10.7046 10.7046 11.4063 11.4063 12.4822 12.4822 12.5151 12.5151 k = 0.0142 0.0246-0.0000 ( 5013 PWs) bands (ev): -17.6719 -17.6719 -17.6538 -17.6538 -4.4731 -4.4731 -4.2744 -4.2744 -2.8767 -2.8767 -2.2797 -2.2797 -2.2302 -2.2302 -2.1805 -2.1805 -1.2498 -1.2498 -0.2121 -0.2121 3.8421 3.8421 4.0188 4.0188 4.6681 4.6681 4.7335 4.7335 4.9003 4.9003 4.9496 4.9496 5.8951 5.8951 6.0045 6.0045 6.1503 6.1503 6.4397 6.4397 6.6426 6.6426 8.8969 8.8969 9.4446 9.4446 9.5572 9.5572 9.8065 9.8065 10.1379 10.1379 10.5649 10.5649 10.6947 10.6947 11.3981 11.3981 12.4347 12.4347 12.4717 12.4717 k = 0.0071 0.0123-0.0000 ( 5013 PWs) bands (ev): -17.6720 -17.6720 -17.6539 -17.6539 -4.4734 -4.4734 -4.2737 -4.2737 -2.8775 -2.8775 -2.2786 -2.2786 -2.2268 -2.2268 -2.1792 -2.1792 -1.2566 -1.2566 -0.2099 -0.2099 3.8396 3.8396 4.0189 4.0189 4.6674 4.6674 4.7323 4.7323 4.9003 4.9003 4.9501 4.9501 5.8948 5.8948 6.0035 6.0035 6.1579 6.1579 6.4458 6.4458 6.6217 6.6217 8.8996 8.8996 9.4778 9.4778 9.6936 9.6936 9.8139 9.8139 9.9986 9.9986 10.5786 10.5786 10.6930 10.6930 11.3931 11.3931 12.4052 12.4052 12.4450 12.4450 k = 0.0000 0.0000 0.0000 ( 5009 PWs) bands (ev): -17.6721 -17.6721 -17.6539 -17.6539 -4.4735 -4.4735 -4.2735 -4.2735 -2.8777 -2.8777 -2.2783 -2.2783 -2.2256 -2.2256 -2.1788 -2.1788 -1.2588 -1.2588 -0.2092 -0.2092 3.8387 3.8387 4.0189 4.0189 4.6672 4.6672 4.7319 4.7319 4.9003 4.9003 4.9502 4.9502 5.8947 5.8947 6.0031 6.0031 6.1605 6.1605 6.4483 6.4483 6.6142 6.6142 8.9005 8.9005 9.4890 9.4890 9.7749 9.7749 9.8497 9.8497 9.8831 9.8831 10.5821 10.5821 10.6936 10.6936 11.3914 11.3914 12.3952 12.3952 12.4359 12.4359 k = 0.0000 0.0000 0.0000 ( 5009 PWs) bands (ev): -17.6721 -17.6721 -17.6539 -17.6539 -4.4735 -4.4735 -4.2735 -4.2735 -2.8777 -2.8777 -2.2783 -2.2783 -2.2256 -2.2256 -2.1788 -2.1788 -1.2588 -1.2588 -0.2092 -0.2092 3.8387 3.8387 4.0189 4.0189 4.6672 4.6672 4.7319 4.7319 4.9003 4.9003 4.9502 4.9502 5.8947 5.8947 6.0031 6.0031 6.1605 6.1605 6.4483 6.4483 6.6142 6.6142 8.9005 8.9005 9.4890 9.4890 9.7749 9.7749 9.8497 9.8497 9.8831 9.8831 10.5821 10.5821 10.6936 10.6936 11.3914 11.3914 12.3952 12.3952 12.4359 12.4359 k = 0.0000 0.0000 0.0140 ( 5009 PWs) bands (ev): -17.6720 -17.6720 -17.6540 -17.6540 -4.4731 -4.4731 -4.2738 -4.2738 -2.8771 -2.8771 -2.2808 -2.2808 -2.2255 -2.2255 -2.1788 -2.1788 -1.2556 -1.2556 -0.2108 -0.2108 3.8390 3.8390 4.0185 4.0185 4.6675 4.6675 4.7323 4.7323 4.8996 4.8996 4.9498 4.9498 5.8951 5.8951 6.0033 6.0033 6.1600 6.1600 6.4388 6.4388 6.6265 6.6265 8.8921 8.8921 9.4945 9.4945 9.7762 9.7762 9.8510 9.8510 9.8830 9.8830 10.5799 10.5799 10.6912 10.6912 11.3947 11.3947 12.3974 12.3974 12.4376 12.4376 k = 0.0000 0.0000 0.0279 ( 5009 PWs) bands (ev): -17.6719 -17.6719 -17.6541 -17.6541 -4.4719 -4.4719 -4.2748 -4.2748 -2.8753 -2.8753 -2.2882 -2.2882 -2.2252 -2.2252 -2.1791 -2.1791 -1.2459 -1.2459 -0.2154 -0.2154 3.8401 3.8401 4.0175 4.0175 4.6684 4.6684 4.7335 4.7335 4.8976 4.8976 4.9485 4.9485 5.8965 5.8965 6.0041 6.0041 6.1583 6.1583 6.4161 6.4161 6.6578 6.6578 8.8680 8.8680 9.5101 9.5101 9.7801 9.7801 9.8547 9.8547 9.8828 9.8828 10.5735 10.5735 10.6839 10.6839 11.4048 11.4048 12.4040 12.4040 12.4425 12.4425 k = 0.0000 0.0000 0.0419 ( 4997 PWs) bands (ev): -17.6718 -17.6718 -17.6542 -17.6542 -4.4698 -4.4698 -4.2764 -4.2764 -2.8723 -2.8723 -2.3001 -2.3001 -2.2248 -2.2248 -2.1796 -2.1796 -1.2301 -1.2301 -0.2231 -0.2231 3.8417 3.8417 4.0158 4.0158 4.6699 4.6699 4.7355 4.7355 4.8943 4.8943 4.9464 4.9464 5.8988 5.8988 6.0053 6.0053 6.1555 6.1555 6.3882 6.3882 6.6999 6.6999 8.8306 8.8306 9.5333 9.5333 9.7865 9.7865 9.8610 9.8610 9.8825 9.8825 10.5631 10.5631 10.6721 10.6721 11.4215 11.4215 12.4149 12.4149 12.4507 12.4507 k = 0.0000 0.0000 0.0558 ( 5009 PWs) bands (ev): -17.6715 -17.6715 -17.6545 -17.6545 -4.4669 -4.4669 -4.2788 -4.2788 -2.8681 -2.8681 -2.3162 -2.3162 -2.2242 -2.2242 -2.1802 -2.1802 -1.2088 -1.2088 -0.2338 -0.2338 3.8441 3.8441 4.0134 4.0134 4.6720 4.6720 4.7382 4.7382 4.8898 4.8898 4.9435 4.9435 5.9020 5.9020 6.0070 6.0070 6.1516 6.1516 6.3592 6.3592 6.7486 6.7486 8.7828 8.7828 9.5613 9.5613 9.7954 9.7954 9.8698 9.8698 9.8820 9.8820 10.5489 10.5489 10.6559 10.6559 11.4448 11.4448 12.4302 12.4302 12.4622 12.4622 k = 0.0000 0.0000 0.0698 ( 4985 PWs) bands (ev): -17.6712 -17.6712 -17.6548 -17.6548 -4.4632 -4.4632 -4.2817 -4.2817 -2.8627 -2.8627 -2.3357 -2.3357 -2.2234 -2.2234 -2.1810 -2.1810 -1.1826 -1.1826 -0.2475 -0.2475 3.8470 3.8470 4.0103 4.0103 4.6747 4.6747 4.7416 4.7416 4.8842 4.8842 4.9399 4.9399 5.9060 5.9060 6.0093 6.0093 6.1467 6.1467 6.3308 6.3308 6.8020 6.8020 8.7269 8.7269 9.5916 9.5916 9.8067 9.8067 9.8810 9.8810 9.8816 9.8816 10.5312 10.5312 10.6358 10.6358 11.4746 11.4746 12.4498 12.4498 12.4770 12.4770 k = 0.0000 0.0000 0.0837 ( 4985 PWs) bands (ev): -17.6709 -17.6709 -17.6551 -17.6551 -4.4588 -4.4588 -4.2853 -4.2853 -2.8560 -2.8560 -2.3580 -2.3580 -2.2225 -2.2225 -2.1819 -2.1819 -1.1521 -1.1521 -0.2641 -0.2641 3.8506 3.8506 4.0066 4.0066 4.6781 4.6781 4.7458 4.7458 4.8776 4.8776 4.9354 4.9354 5.9109 5.9109 6.0120 6.0120 6.1408 6.1408 6.3036 6.3036 6.8594 6.8594 8.6649 8.6649 9.6224 9.6224 9.8201 9.8201 9.8812 9.8812 9.8945 9.8945 10.5105 10.5105 10.6122 10.6122 11.5106 11.5106 12.4737 12.4737 12.4952 12.4952 k = 0.0000 0.0000 0.0977 ( 4967 PWs) bands (ev): -17.6704 -17.6704 -17.6556 -17.6556 -4.4537 -4.4537 -4.2895 -4.2895 -2.8481 -2.8481 -2.3825 -2.3825 -2.2214 -2.2214 -2.1831 -2.1831 -1.1180 -1.1180 -0.2835 -0.2835 3.8548 3.8548 4.0024 4.0024 4.6819 4.6819 4.7507 4.7507 4.8701 4.8701 4.9303 4.9303 5.9166 5.9166 6.0153 6.0153 6.1340 6.1340 6.2780 6.2780 6.9201 6.9201 8.5983 8.5983 9.6525 9.6525 9.8352 9.8352 9.8813 9.8813 9.9104 9.9104 10.4870 10.4870 10.5855 10.5855 11.5528 11.5528 12.5018 12.5018 12.5166 12.5166 k = 0.0000 0.0000 0.1116 ( 4967 PWs) bands (ev): -17.6700 -17.6700 -17.6561 -17.6561 -4.4479 -4.4479 -4.2943 -4.2943 -2.8390 -2.8390 -2.4086 -2.4086 -2.2202 -2.2202 -2.1843 -2.1843 -1.0809 -1.0809 -0.3056 -0.3056 3.8595 3.8595 3.9975 3.9975 4.6864 4.6864 4.7561 4.7561 4.8618 4.8618 4.9244 4.9244 5.9231 5.9231 6.0191 6.0191 6.1263 6.1263 6.2540 6.2540 6.9838 6.9838 8.5280 8.5280 9.6808 9.6808 9.8505 9.8505 9.8833 9.8833 9.9284 9.9284 10.4611 10.4611 10.5563 10.5563 11.6010 11.6010 12.5342 12.5342 12.5414 12.5414 k = 0.0000 0.0000 0.1256 ( 4967 PWs) bands (ev): -17.6694 -17.6694 -17.6566 -17.6566 -4.4415 -4.4415 -4.2996 -4.2996 -2.8285 -2.8285 -2.4359 -2.4359 -2.2188 -2.2188 -2.1857 -2.1857 -1.0414 -1.0414 -0.3304 -0.3304 3.8648 3.8648 3.9921 3.9921 4.6914 4.6914 4.7621 4.7621 4.8531 4.8531 4.9179 4.9179 5.9304 5.9304 6.0234 6.0234 6.1179 6.1179 6.2316 6.2316 7.0504 7.0504 8.4548 8.4548 9.7070 9.7070 9.8618 9.8618 9.8911 9.8911 9.9486 9.9486 10.4333 10.4333 10.5249 10.5249 11.6548 11.6548 12.5695 12.5695 12.5708 12.5708 k = 0.0000 0.0000 0.1396 ( 4967 PWs) bands (ev): -17.6688 -17.6688 -17.6572 -17.6572 -4.4346 -4.4346 -4.3055 -4.3055 -2.8167 -2.8167 -2.4638 -2.4638 -2.2173 -2.2173 -2.1872 -2.1872 -1.0001 -1.0001 -0.3577 -0.3577 3.8705 3.8705 3.9863 3.9863 4.6970 4.6970 4.7685 4.7685 4.8439 4.8439 4.9109 4.9109 5.9384 5.9384 6.0283 6.0283 6.1087 6.1087 6.2108 6.2108 7.1194 7.1194 8.3793 8.3793 9.7308 9.7308 9.8657 9.8657 9.9081 9.9081 9.9708 9.9708 10.4037 10.4037 10.4918 10.4918 11.7142 11.7142 12.6009 12.6009 12.6117 12.6117 k = 0.0000 0.0000 0.1535 ( 4979 PWs) bands (ev): -17.6682 -17.6682 -17.6578 -17.6578 -4.4272 -4.4272 -4.3120 -4.3120 -2.8037 -2.8037 -2.4920 -2.4920 -2.2157 -2.2157 -2.1889 -2.1889 -0.9573 -0.9573 -0.3874 -0.3874 3.8767 3.8767 3.9800 3.9800 4.7031 4.7031 4.7753 4.7753 4.8347 4.8347 4.9033 4.9033 5.9470 5.9470 6.0338 6.0338 6.0989 6.0989 6.1915 6.1915 7.1908 7.1908 8.3020 8.3020 9.7519 9.7519 9.8656 9.8656 9.9306 9.9306 9.9950 9.9950 10.3728 10.3728 10.4575 10.4575 11.7787 11.7787 12.6356 12.6356 12.6567 12.6567 k = 0.0000 0.0000 0.1675 ( 4991 PWs) bands (ev): -17.6676 -17.6676 -17.6585 -17.6585 -4.4193 -4.4193 -4.3189 -4.3189 -2.7893 -2.7893 -2.5201 -2.5201 -2.2140 -2.2140 -2.1906 -2.1906 -0.9136 -0.9136 -0.4193 -0.4193 3.8832 3.8832 3.9733 3.9733 4.7097 4.7097 4.7819 4.7819 4.8258 4.8258 4.8953 4.8953 5.9562 5.9562 6.0398 6.0398 6.0886 6.0886 6.1736 6.1736 7.2642 7.2642 8.2231 8.2231 9.7706 9.7706 9.8641 9.8641 9.9560 9.9560 10.0209 10.0209 10.3408 10.3408 10.4222 10.4222 11.8481 11.8481 12.6733 12.6733 12.7059 12.7059 k = 0.0000 0.0000 0.1814 ( 4991 PWs) bands (ev): -17.6669 -17.6669 -17.6592 -17.6592 -4.4111 -4.4111 -4.3262 -4.3262 -2.7736 -2.7736 -2.5479 -2.5479 -2.2122 -2.2122 -2.1924 -2.1924 -0.8693 -0.8693 -0.4533 -0.4533 3.8902 3.8902 3.9663 3.9663 4.7168 4.7168 4.7873 4.7873 4.8183 4.8183 4.8869 4.8869 5.9660 5.9660 6.0466 6.0466 6.0779 6.0779 6.1570 6.1570 7.3395 7.3395 8.1431 8.1431 9.7868 9.7868 9.8617 9.8617 9.9835 9.9835 10.0485 10.0485 10.3080 10.3080 10.3863 10.3863 11.9220 11.9220 12.7128 12.7128 12.7593 12.7593 k = 0.0000 0.0000 0.1954 ( 4991 PWs) bands (ev): -17.6661 -17.6661 -17.6599 -17.6599 -4.4027 -4.4027 -4.3339 -4.3339 -2.7565 -2.7565 -2.5752 -2.5752 -2.2103 -2.2103 -2.1943 -2.1943 -0.8246 -0.8246 -0.4892 -0.4892 3.8974 3.8974 3.9590 3.9590 4.7244 4.7244 4.7889 4.7889 4.8150 4.8150 4.8782 4.8782 5.9763 5.9763 6.0539 6.0539 6.0668 6.0668 6.1416 6.1416 7.4165 7.4165 8.0623 8.0623 9.8008 9.8008 9.8586 9.8586 10.0125 10.0125 10.0777 10.0777 10.2746 10.2746 10.3501 10.3501 12.0000 12.0000 12.7128 12.7128 12.7693 12.7693 k = 0.0000 0.0000 0.2093 ( 4992 PWs) bands (ev): -17.6654 -17.6654 -17.6607 -17.6607 -4.3940 -4.3940 -4.3420 -4.3420 -2.7381 -2.7381 -2.6016 -2.6016 -2.2084 -2.2084 -2.1963 -2.1963 -0.7800 -0.7800 -0.5270 -0.5270 3.9048 3.9048 3.9515 3.9515 4.7325 4.7325 4.7844 4.7844 4.8181 4.8181 4.8693 4.8693 5.9869 5.9869 6.0554 6.0554 6.0620 6.0620 6.1273 6.1273 7.4948 7.4948 7.9809 7.9809 9.8128 9.8128 9.8549 9.8549 10.0428 10.0428 10.1084 10.1084 10.2409 10.2409 10.3139 10.3139 12.0816 12.0816 12.6235 12.6235 12.8115 12.8115 k = 0.0000 0.0000 0.2233 ( 4986 PWs) bands (ev): -17.6646 -17.6646 -17.6614 -17.6614 -4.3853 -4.3853 -4.3503 -4.3503 -2.7184 -2.7184 -2.6272 -2.6272 -2.2064 -2.2064 -2.1983 -2.1983 -0.7357 -0.7357 -0.5663 -0.5663 3.9125 3.9125 3.9438 3.9438 4.7409 4.7409 4.7766 4.7766 4.8250 4.8250 4.8602 4.8602 5.9979 5.9979 6.0439 6.0439 6.0708 6.0708 6.1141 6.1141 7.5743 7.5743 7.8992 7.8992 9.8231 9.8231 9.8505 9.8505 10.0742 10.0742 10.1403 10.1403 10.2070 10.2070 10.2779 10.2779 12.1666 12.1666 12.5298 12.5298 12.8616 12.8616 k = 0.0000 0.0000 0.2373 ( 4974 PWs) bands (ev): -17.6638 -17.6638 -17.6622 -17.6622 -4.3764 -4.3764 -4.3589 -4.3589 -2.6974 -2.6974 -2.6518 -2.6518 -2.2044 -2.2044 -2.2003 -2.2003 -0.6920 -0.6920 -0.6070 -0.6070 3.9203 3.9203 3.9360 3.9360 4.7496 4.7496 4.7677 4.7677 4.8332 4.8332 4.8511 4.8511 6.0092 6.0092 6.0323 6.0323 6.0803 6.0803 6.1020 6.1020 7.6548 7.6548 7.8175 7.8175 9.8317 9.8317 9.8453 9.8453 10.1066 10.1066 10.1731 10.1731 10.1734 10.1734 10.2424 10.2424 12.2543 12.2543 12.4365 12.4365 12.9150 12.9150 k = 0.0000 0.0000 0.2512 ( 4992 PWs) bands (ev): -17.6630 -17.6630 -17.6630 -17.6630 -4.3676 -4.3676 -4.3676 -4.3676 -2.6752 -2.6752 -2.6752 -2.6752 -2.2024 -2.2024 -2.2024 -2.2024 -0.6490 -0.6490 -0.6490 -0.6490 3.9281 3.9281 3.9281 3.9281 4.7586 4.7586 4.7586 4.7586 4.8420 4.8420 4.8420 4.8420 6.0207 6.0207 6.0207 6.0207 6.0907 6.0907 6.0907 6.0907 7.7359 7.7359 7.7359 7.7359 9.8391 9.8391 9.8391 9.8391 10.1396 10.1396 10.1396 10.1396 10.2075 10.2075 10.2075 10.2075 12.3444 12.3444 12.3444 12.3444 12.9709 12.9709 k = 0.0000 0.0000 0.2512 ( 4992 PWs) bands (ev): -17.6630 -17.6630 -17.6630 -17.6630 -4.3676 -4.3676 -4.3676 -4.3676 -2.6752 -2.6752 -2.6752 -2.6752 -2.2024 -2.2024 -2.2024 -2.2024 -0.6490 -0.6490 -0.6490 -0.6490 3.9281 3.9281 3.9281 3.9281 4.7586 4.7586 4.7586 4.7586 4.8420 4.8420 4.8420 4.8420 6.0207 6.0207 6.0207 6.0207 6.0907 6.0907 6.0907 6.0907 7.7359 7.7359 7.7359 7.7359 9.8391 9.8391 9.8391 9.8391 10.1396 10.1396 10.1396 10.1396 10.2075 10.2075 10.2075 10.2075 12.3444 12.3444 12.3444 12.3444 12.9709 12.9709 k = 0.0125 0.0072 0.2512 ( 4996 PWs) bands (ev): -17.6630 -17.6630 -17.6630 -17.6630 -4.3677 -4.3677 -4.3677 -4.3677 -2.6751 -2.6751 -2.6751 -2.6751 -2.2029 -2.2029 -2.2029 -2.2029 -0.6486 -0.6486 -0.6486 -0.6486 3.9285 3.9285 3.9285 3.9285 4.7584 4.7584 4.7584 4.7584 4.8425 4.8425 4.8425 4.8425 6.0183 6.0183 6.0183 6.0183 6.0931 6.0931 6.0931 6.0931 7.7376 7.7376 7.7376 7.7376 9.7956 9.7956 9.7956 9.7956 10.1488 10.1488 10.1488 10.1488 10.2359 10.2359 10.2359 10.2359 12.3400 12.3400 12.3400 12.3400 12.9726 12.9726 k = 0.0250 0.0144 0.2512 ( 4984 PWs) bands (ev): -17.6629 -17.6629 -17.6629 -17.6629 -4.3679 -4.3679 -4.3679 -4.3679 -2.6748 -2.6748 -2.6748 -2.6748 -2.2045 -2.2045 -2.2045 -2.2045 -0.6472 -0.6472 -0.6472 -0.6472 3.9296 3.9296 3.9296 3.9296 4.7576 4.7576 4.7576 4.7576 4.8440 4.8440 4.8440 4.8440 6.0119 6.0119 6.0119 6.0119 6.0994 6.0994 6.0994 6.0994 7.7427 7.7427 7.7427 7.7427 9.6988 9.6988 9.6988 9.6988 10.1469 10.1469 10.1469 10.1469 10.3172 10.3172 10.3172 10.3172 12.3272 12.3272 12.3272 12.3272 12.9769 12.9769 k = 0.0375 0.0217 0.2512 ( 4984 PWs) bands (ev): -17.6627 -17.6627 -17.6627 -17.6627 -4.3682 -4.3682 -4.3682 -4.3682 -2.6743 -2.6743 -2.6743 -2.6743 -2.2072 -2.2072 -2.2072 -2.2072 -0.6451 -0.6451 -0.6451 -0.6451 3.9316 3.9316 3.9316 3.9316 4.7564 4.7564 4.7564 4.7564 4.8465 4.8465 4.8465 4.8465 6.0031 6.0031 6.0031 6.0031 6.1081 6.1081 6.1081 6.1081 7.7512 7.7512 7.7512 7.7512 9.5825 9.5825 9.5825 9.5825 10.1323 10.1323 10.1323 10.1323 10.4192 10.4192 10.4192 10.4192 12.3073 12.3073 12.3073 12.3073 12.9821 12.9821 k = 0.0500 0.0289 0.2512 ( 4984 PWs) bands (ev): -17.6624 -17.6624 -17.6624 -17.6624 -4.3687 -4.3687 -4.3687 -4.3687 -2.6736 -2.6736 -2.6736 -2.6736 -2.2108 -2.2108 -2.2108 -2.2108 -0.6421 -0.6421 -0.6421 -0.6421 3.9342 3.9342 3.9342 3.9342 4.7548 4.7548 4.7548 4.7548 4.8499 4.8499 4.8499 4.8499 5.9930 5.9930 5.9930 5.9930 6.1181 6.1181 6.1181 6.1181 7.7627 7.7627 7.7627 7.7627 9.4581 9.4581 9.4581 9.4581 10.1098 10.1098 10.1098 10.1098 10.5262 10.5262 10.5262 10.5262 12.2819 12.2819 12.2819 12.2819 12.9860 12.9860 k = 0.0625 0.0361 0.2512 ( 4980 PWs) bands (ev): -17.6620 -17.6620 -17.6620 -17.6620 -4.3693 -4.3693 -4.3693 -4.3693 -2.6727 -2.6727 -2.6727 -2.6727 -2.2155 -2.2155 -2.2155 -2.2155 -0.6383 -0.6383 -0.6383 -0.6383 3.9377 3.9377 3.9377 3.9377 4.7527 4.7527 4.7527 4.7527 4.8542 4.8542 4.8542 4.8542 5.9823 5.9823 5.9823 5.9823 6.1287 6.1287 6.1287 6.1287 7.7772 7.7772 7.7772 7.7772 9.3301 9.3301 9.3301 9.3301 10.0805 10.0805 10.0805 10.0805 10.6329 10.6329 10.6329 10.6329 12.2525 12.2525 12.2525 12.2525 12.9855 12.9855 k = 0.0750 0.0433 0.2512 ( 4962 PWs) bands (ev): -17.6616 -17.6616 -17.6616 -17.6616 -4.3701 -4.3701 -4.3701 -4.3701 -2.6716 -2.6716 -2.6716 -2.6716 -2.2210 -2.2210 -2.2210 -2.2210 -0.6337 -0.6337 -0.6337 -0.6337 3.9419 3.9419 3.9419 3.9419 4.7504 4.7504 4.7504 4.7504 4.8595 4.8595 4.8595 4.8595 5.9715 5.9715 5.9715 5.9715 6.1394 6.1394 6.1394 6.1394 7.7942 7.7942 7.7942 7.7942 9.2005 9.2005 9.2005 9.2005 10.0450 10.0450 10.0450 10.0450 10.7374 10.7374 10.7374 10.7374 12.2199 12.2199 12.2199 12.2199 12.9756 12.9756 k = 0.0875 0.0505 0.2512 ( 4962 PWs) bands (ev): -17.6611 -17.6611 -17.6611 -17.6611 -4.3710 -4.3710 -4.3710 -4.3710 -2.6704 -2.6704 -2.6704 -2.6704 -2.2273 -2.2273 -2.2273 -2.2273 -0.6284 -0.6284 -0.6284 -0.6284 3.9468 3.9468 3.9468 3.9468 4.7477 4.7477 4.7477 4.7477 4.8656 4.8656 4.8656 4.8656 5.9607 5.9607 5.9607 5.9607 6.1501 6.1501 6.1501 6.1501 7.8133 7.8133 7.8133 7.8133 9.0706 9.0706 9.0706 9.0706 10.0039 10.0039 10.0039 10.0039 10.8383 10.8383 10.8383 10.8383 12.1846 12.1846 12.1846 12.1846 12.9540 12.9540 k = 0.1000 0.0577 0.2512 ( 4968 PWs) bands (ev): -17.6605 -17.6605 -17.6605 -17.6605 -4.3721 -4.3721 -4.3721 -4.3721 -2.6690 -2.6690 -2.6690 -2.6690 -2.2343 -2.2343 -2.2343 -2.2343 -0.6225 -0.6225 -0.6225 -0.6225 3.9524 3.9524 3.9524 3.9524 4.7448 4.7448 4.7448 4.7448 4.8726 4.8726 4.8726 4.8726 5.9503 5.9503 5.9503 5.9503 6.1606 6.1606 6.1606 6.1606 7.8339 7.8339 7.8339 7.8339 8.9418 8.9418 8.9418 8.9418 9.9576 9.9576 9.9576 9.9576 10.9347 10.9347 10.9347 10.9347 12.1470 12.1470 12.1470 12.1470 12.9255 12.9255 k = 0.1125 0.0650 0.2512 ( 4968 PWs) bands (ev): -17.6598 -17.6598 -17.6598 -17.6598 -4.3734 -4.3734 -4.3734 -4.3734 -2.6674 -2.6674 -2.6674 -2.6674 -2.2419 -2.2419 -2.2419 -2.2419 -0.6160 -0.6160 -0.6160 -0.6160 3.9588 3.9588 3.9588 3.9588 4.7418 4.7418 4.7418 4.7418 4.8804 4.8804 4.8804 4.8804 5.9402 5.9402 5.9402 5.9402 6.1707 6.1707 6.1707 6.1707 7.8547 7.8547 7.8547 7.8547 8.8154 8.8154 8.8154 8.8154 9.9067 9.9067 9.9067 9.9067 11.0259 11.0259 11.0259 11.0259 12.1071 12.1071 12.1071 12.1071 12.8969 12.8969 k = 0.1250 0.0722 0.2512 ( 4970 PWs) bands (ev): -17.6591 -17.6591 -17.6591 -17.6591 -4.3747 -4.3747 -4.3747 -4.3747 -2.6658 -2.6658 -2.6658 -2.6658 -2.2501 -2.2501 -2.2501 -2.2501 -0.6090 -0.6090 -0.6090 -0.6090 3.9658 3.9658 3.9658 3.9658 4.7386 4.7386 4.7386 4.7386 4.8890 4.8890 4.8890 4.8890 5.9306 5.9306 5.9306 5.9306 6.1805 6.1805 6.1805 6.1805 7.8744 7.8744 7.8744 7.8744 8.6934 8.6934 8.6934 8.6934 9.8514 9.8514 9.8514 9.8514 11.1108 11.1108 11.1108 11.1108 12.0650 12.0650 12.0650 12.0650 12.8730 12.8730 k = 0.1375 0.0794 0.2512 ( 4962 PWs) bands (ev): -17.6584 -17.6584 -17.6584 -17.6584 -4.3763 -4.3763 -4.3763 -4.3763 -2.6641 -2.6641 -2.6641 -2.6641 -2.2586 -2.2586 -2.2586 -2.2586 -0.6016 -0.6016 -0.6016 -0.6016 3.9736 3.9736 3.9736 3.9736 4.7354 4.7354 4.7354 4.7354 4.8984 4.8984 4.8984 4.8984 5.9214 5.9214 5.9214 5.9214 6.1898 6.1898 6.1898 6.1898 7.8901 7.8901 7.8901 7.8901 8.5786 8.5786 8.5787 8.5787 9.7925 9.7925 9.7925 9.7925 11.1883 11.1883 11.1883 11.1883 12.0214 12.0214 12.0214 12.0214 12.8573 12.8573 k = 0.1500 0.0866 0.2512 ( 4964 PWs) bands (ev): -17.6575 -17.6575 -17.6575 -17.6575 -4.3780 -4.3780 -4.3780 -4.3780 -2.6623 -2.6623 -2.6623 -2.6623 -2.2675 -2.2675 -2.2675 -2.2675 -0.5937 -0.5937 -0.5937 -0.5937 3.9820 3.9820 3.9820 3.9820 4.7322 4.7322 4.7322 4.7322 4.9084 4.9084 4.9084 4.9084 5.9129 5.9129 5.9129 5.9129 6.1986 6.1986 6.1986 6.1986 7.8971 7.8971 7.8971 7.8971 8.4760 8.4760 8.4760 8.4760 9.7303 9.7303 9.7303 9.7303 11.2567 11.2567 11.2567 11.2567 11.9779 11.9779 11.9779 11.9779 12.8519 12.8519 k = 0.1625 0.0938 0.2512 ( 4968 PWs) bands (ev): -17.6567 -17.6567 -17.6567 -17.6567 -4.3799 -4.3799 -4.3799 -4.3799 -2.6606 -2.6606 -2.6606 -2.6606 -2.2765 -2.2765 -2.2765 -2.2765 -0.5855 -0.5855 -0.5855 -0.5855 3.9912 3.9912 3.9912 3.9912 4.7291 4.7291 4.7291 4.7291 4.9192 4.9192 4.9192 4.9192 5.9049 5.9049 5.9049 5.9049 6.2069 6.2069 6.2069 6.2069 7.8881 7.8881 7.8881 7.8881 8.3931 8.3931 8.3931 8.3931 9.6653 9.6653 9.6653 9.6653 11.3137 11.3137 11.3137 11.3137 11.9367 11.9367 11.9367 11.9367 12.8581 12.8581 k = 0.1750 0.1010 0.2512 ( 4964 PWs) bands (ev): -17.6557 -17.6557 -17.6557 -17.6557 -4.3819 -4.3819 -4.3819 -4.3819 -2.6588 -2.6588 -2.6588 -2.6588 -2.2856 -2.2856 -2.2856 -2.2856 -0.5771 -0.5771 -0.5771 -0.5771 4.0010 4.0010 4.0010 4.0010 4.7260 4.7260 4.7260 4.7260 4.9305 4.9305 4.9305 4.9305 5.8975 5.8975 5.8975 5.8975 6.2146 6.2146 6.2146 6.2146 7.8544 7.8544 7.8544 7.8544 8.3386 8.3386 8.3386 8.3386 9.5981 9.5981 9.5981 9.5981 11.3564 11.3564 11.3564 11.3564 11.9015 11.9015 11.9015 11.9015 12.8762 12.8762 k = 0.1875 0.1083 0.2512 ( 4972 PWs) bands (ev): -17.6548 -17.6548 -17.6548 -17.6548 -4.3840 -4.3840 -4.3840 -4.3840 -2.6571 -2.6571 -2.6571 -2.6571 -2.2946 -2.2946 -2.2946 -2.2946 -0.5684 -0.5684 -0.5684 -0.5684 4.0114 4.0114 4.0114 4.0114 4.7230 4.7230 4.7230 4.7230 4.9423 4.9423 4.9423 4.9423 5.8906 5.8906 5.8906 5.8906 6.2218 6.2218 6.2218 6.2218 7.7931 7.7931 7.7931 7.7931 8.3155 8.3155 8.3155 8.3155 9.5290 9.5290 9.5290 9.5290 11.3813 11.3813 11.3813 11.3813 11.8765 11.8765 11.8765 11.8765 12.9061 12.9061 k = 0.2000 0.1155 0.2512 ( 4972 PWs) bands (ev): -17.6538 -17.6538 -17.6538 -17.6538 -4.3864 -4.3864 -4.3864 -4.3864 -2.6556 -2.6556 -2.6556 -2.6556 -2.3034 -2.3034 -2.3034 -2.3034 -0.5596 -0.5596 -0.5596 -0.5596 4.0226 4.0226 4.0226 4.0226 4.7202 4.7202 4.7202 4.7202 4.9546 4.9546 4.9546 4.9546 5.8843 5.8843 5.8843 5.8843 6.2283 6.2283 6.2283 6.2283 7.7100 7.7100 7.7100 7.7100 8.3180 8.3180 8.3180 8.3180 9.4584 9.4584 9.4584 9.4584 11.3861 11.3861 11.3861 11.3861 11.8650 11.8650 11.8650 11.8650 12.9473 12.9473 k = 0.2125 0.1227 0.2512 ( 4972 PWs) bands (ev): -17.6528 -17.6528 -17.6528 -17.6528 -4.3888 -4.3888 -4.3888 -4.3888 -2.6541 -2.6541 -2.6541 -2.6541 -2.3119 -2.3119 -2.3119 -2.3119 -0.5508 -0.5508 -0.5508 -0.5508 4.0344 4.0344 4.0344 4.0344 4.7175 4.7175 4.7175 4.7175 4.9672 4.9672 4.9672 4.9672 5.8786 5.8786 5.8786 5.8786 6.2342 6.2342 6.2342 6.2342 7.6143 7.6143 7.6143 7.6143 8.3372 8.3372 8.3372 8.3372 9.3869 9.3869 9.3869 9.3869 11.3715 11.3715 11.3715 11.3715 11.8671 11.8671 11.8671 11.8671 12.9989 12.9989 k = 0.2250 0.1299 0.2512 ( 4964 PWs) bands (ev): -17.6518 -17.6518 -17.6518 -17.6518 -4.3914 -4.3914 -4.3914 -4.3914 -2.6529 -2.6529 -2.6529 -2.6529 -2.3201 -2.3201 -2.3201 -2.3201 -0.5418 -0.5418 -0.5418 -0.5418 4.0470 4.0470 4.0470 4.0470 4.7150 4.7150 4.7150 4.7150 4.9801 4.9801 4.9801 4.9801 5.8733 5.8733 5.8733 5.8733 6.2395 6.2395 6.2395 6.2395 7.5124 7.5124 7.5124 7.5124 8.3665 8.3665 8.3665 8.3665 9.3149 9.3149 9.3149 9.3149 11.3416 11.3416 11.3416 11.3416 11.8800 11.8800 11.8800 11.8800 13.0598 13.0598 k = 0.2375 0.1371 0.2512 ( 4956 PWs) bands (ev): -17.6507 -17.6507 -17.6507 -17.6507 -4.3941 -4.3941 -4.3941 -4.3941 -2.6520 -2.6520 -2.6520 -2.6520 -2.3277 -2.3277 -2.3277 -2.3277 -0.5329 -0.5329 -0.5329 -0.5329 4.0602 4.0602 4.0602 4.0602 4.7126 4.7126 4.7126 4.7126 4.9930 4.9930 4.9930 4.9930 5.8685 5.8685 5.8685 5.8685 6.2442 6.2442 6.2442 6.2442 7.4086 7.4086 7.4086 7.4086 8.4019 8.4019 8.4019 8.4019 9.2427 9.2427 9.2427 9.2427 11.3015 11.3015 11.3015 11.3015 11.8994 11.8994 11.8994 11.8994 13.1291 13.1291 k = 0.2500 0.1443 0.2512 ( 4952 PWs) bands (ev): -17.6497 -17.6497 -17.6497 -17.6497 -4.3968 -4.3968 -4.3968 -4.3968 -2.6513 -2.6513 -2.6513 -2.6513 -2.3348 -2.3348 -2.3348 -2.3348 -0.5240 -0.5240 -0.5240 -0.5240 4.0742 4.0742 4.0742 4.0742 4.7103 4.7103 4.7103 4.7103 5.0060 5.0060 5.0060 5.0060 5.8642 5.8642 5.8642 5.8642 6.2482 6.2482 6.2482 6.2482 7.3050 7.3050 7.3050 7.3050 8.4410 8.4410 8.4410 8.4410 9.1706 9.1706 9.1706 9.1706 11.2556 11.2556 11.2556 11.2556 11.9221 11.9221 11.9221 11.9221 13.2054 13.2054 k = 0.2625 0.1516 0.2512 ( 4968 PWs) bands (ev): -17.6486 -17.6486 -17.6486 -17.6486 -4.3997 -4.3997 -4.3997 -4.3997 -2.6510 -2.6510 -2.6510 -2.6510 -2.3413 -2.3413 -2.3413 -2.3413 -0.5153 -0.5153 -0.5153 -0.5153 4.0889 4.0889 4.0889 4.0889 4.7081 4.7081 4.7081 4.7081 5.0187 5.0187 5.0187 5.0187 5.8604 5.8604 5.8604 5.8604 6.2517 6.2517 6.2517 6.2517 7.2033 7.2033 7.2033 7.2033 8.4824 8.4824 8.4824 8.4824 9.0993 9.0993 9.0993 9.0993 11.2071 11.2071 11.2071 11.2071 11.9456 11.9456 11.9456 11.9456 13.2875 13.2875 k = 0.2750 0.1588 0.2512 ( 4962 PWs) bands (ev): -17.6476 -17.6476 -17.6476 -17.6476 -4.4026 -4.4026 -4.4026 -4.4026 -2.6510 -2.6510 -2.6510 -2.6510 -2.3471 -2.3471 -2.3471 -2.3471 -0.5066 -0.5066 -0.5066 -0.5066 4.1043 4.1043 4.1043 4.1043 4.7059 4.7059 4.7059 4.7059 5.0311 5.0311 5.0311 5.0311 5.8569 5.8569 5.8569 5.8569 6.2545 6.2545 6.2545 6.2545 7.1045 7.1045 7.1045 7.1045 8.5249 8.5249 8.5249 8.5249 9.0289 9.0289 9.0289 9.0289 11.1579 11.1579 11.1579 11.1579 11.9686 11.9686 11.9686 11.9686 13.3744 13.3744 k = 0.2875 0.1660 0.2512 ( 4966 PWs) bands (ev): -17.6466 -17.6466 -17.6466 -17.6466 -4.4056 -4.4056 -4.4056 -4.4056 -2.6513 -2.6513 -2.6513 -2.6513 -2.3521 -2.3521 -2.3521 -2.3521 -0.4982 -0.4982 -0.4982 -0.4982 4.1204 4.1204 4.1204 4.1204 4.7037 4.7037 4.7037 4.7037 5.0428 5.0428 5.0428 5.0428 5.8538 5.8538 5.8538 5.8538 6.2566 6.2566 6.2566 6.2566 7.0093 7.0093 7.0093 7.0093 8.5676 8.5676 8.5676 8.5676 8.9602 8.9602 8.9602 8.9602 11.1096 11.1096 11.1096 11.1096 11.9903 11.9903 11.9903 11.9903 13.4648 13.4648 k = 0.3000 0.1732 0.2512 ( 4968 PWs) bands (ev): -17.6455 -17.6455 -17.6455 -17.6455 -4.4085 -4.4085 -4.4085 -4.4085 -2.6520 -2.6520 -2.6520 -2.6520 -2.3565 -2.3565 -2.3565 -2.3565 -0.4900 -0.4900 -0.4900 -0.4900 4.1373 4.1373 4.1373 4.1373 4.7015 4.7015 4.7015 4.7015 5.0538 5.0538 5.0538 5.0538 5.8511 5.8511 5.8511 5.8511 6.2582 6.2582 6.2582 6.2582 6.9183 6.9183 6.9183 6.9183 8.6096 8.6096 8.6096 8.6096 8.8938 8.8938 8.8938 8.8938 11.0631 11.0631 11.0631 11.0631 12.0100 12.0100 12.0100 12.0100 13.5577 13.5577 k = 0.3125 0.1804 0.2512 ( 4972 PWs) bands (ev): -17.6446 -17.6446 -17.6446 -17.6446 -4.4115 -4.4115 -4.4115 -4.4115 -2.6531 -2.6531 -2.6531 -2.6531 -2.3602 -2.3602 -2.3602 -2.3602 -0.4820 -0.4820 -0.4820 -0.4820 4.1549 4.1549 4.1549 4.1549 4.6992 4.6992 4.6992 4.6992 5.0636 5.0636 5.0636 5.0636 5.8487 5.8487 5.8487 5.8487 6.2592 6.2592 6.2592 6.2592 6.8322 6.8322 6.8322 6.8322 8.6488 8.6488 8.6488 8.6488 8.8316 8.8316 8.8316 8.8316 11.0190 11.0190 11.0190 11.0190 12.0275 12.0275 12.0275 12.0275 13.6521 13.6521 k = 0.3250 0.1876 0.2512 ( 4984 PWs) bands (ev): -17.6436 -17.6436 -17.6436 -17.6436 -4.4144 -4.4144 -4.4144 -4.4144 -2.6545 -2.6545 -2.6545 -2.6545 -2.3631 -2.3631 -2.3631 -2.3631 -0.4743 -0.4743 -0.4743 -0.4743 4.1731 4.1731 4.1731 4.1731 4.6967 4.6967 4.6967 4.6967 5.0722 5.0722 5.0722 5.0722 5.8467 5.8467 5.8467 5.8467 6.2596 6.2596 6.2596 6.2596 6.7513 6.7513 6.7513 6.7513 8.6779 8.6779 8.6779 8.6779 8.7808 8.7808 8.7808 8.7808 10.9779 10.9779 10.9779 10.9779 12.0426 12.0426 12.0426 12.0426 13.7469 13.7469 k = 0.3375 0.1949 0.2512 ( 4986 PWs) bands (ev): -17.6427 -17.6427 -17.6427 -17.6427 -4.4173 -4.4173 -4.4173 -4.4173 -2.6561 -2.6561 -2.6561 -2.6561 -2.3654 -2.3654 -2.3654 -2.3654 -0.4669 -0.4669 -0.4669 -0.4669 4.1921 4.1921 4.1921 4.1921 4.6939 4.6939 4.6939 4.6939 5.0792 5.0792 5.0792 5.0792 5.8451 5.8451 5.8451 5.8451 6.2594 6.2594 6.2594 6.2594 6.6761 6.6761 6.6761 6.6761 8.6683 8.6683 8.6683 8.6683 8.7698 8.7698 8.7698 8.7698 10.9400 10.9400 10.9400 10.9400 12.0551 12.0551 12.0551 12.0551 13.8413 13.8413 k = 0.3500 0.2021 0.2512 ( 4986 PWs) bands (ev): -17.6418 -17.6418 -17.6418 -17.6418 -4.4201 -4.4201 -4.4201 -4.4201 -2.6579 -2.6579 -2.6579 -2.6579 -2.3672 -2.3672 -2.3672 -2.3672 -0.4599 -0.4599 -0.4599 -0.4599 4.2116 4.2116 4.2116 4.2116 4.6909 4.6909 4.6909 4.6909 5.0845 5.0845 5.0845 5.0845 5.8438 5.8438 5.8438 5.8438 6.2585 6.2585 6.2585 6.2585 6.6070 6.6070 6.6070 6.6070 8.6227 8.6227 8.6227 8.6227 8.7960 8.7960 8.7960 8.7960 10.9056 10.9056 10.9056 10.9056 12.0649 12.0649 12.0649 12.0649 13.9342 13.9342 k = 0.3625 0.2093 0.2512 ( 4986 PWs) bands (ev): -17.6410 -17.6410 -17.6410 -17.6410 -4.4228 -4.4228 -4.4228 -4.4228 -2.6599 -2.6599 -2.6599 -2.6599 -2.3684 -2.3684 -2.3684 -2.3684 -0.4533 -0.4533 -0.4533 -0.4533 4.2316 4.2316 4.2316 4.2316 4.6875 4.6875 4.6875 4.6875 5.0880 5.0880 5.0880 5.0880 5.8429 5.8429 5.8429 5.8429 6.2570 6.2570 6.2570 6.2570 6.5443 6.5443 6.5443 6.5443 8.5710 8.5710 8.5710 8.5710 8.8294 8.8294 8.8294 8.8294 10.8748 10.8748 10.8748 10.8748 12.0721 12.0721 12.0721 12.0721 14.0248 14.0248 k = 0.3750 0.2165 0.2512 ( 4988 PWs) bands (ev): -17.6402 -17.6402 -17.6402 -17.6402 -4.4253 -4.4253 -4.4253 -4.4253 -2.6620 -2.6620 -2.6620 -2.6620 -2.3692 -2.3692 -2.3692 -2.3692 -0.4472 -0.4472 -0.4472 -0.4472 4.2521 4.2521 4.2521 4.2521 4.6836 4.6836 4.6836 4.6836 5.0894 5.0894 5.0894 5.0894 5.8425 5.8425 5.8425 5.8425 6.2545 6.2545 6.2545 6.2545 6.4885 6.4885 6.4885 6.4885 8.5204 8.5204 8.5204 8.5204 8.8629 8.8629 8.8629 8.8629 10.8476 10.8476 10.8476 10.8476 12.0768 12.0768 12.0768 12.0768 14.1122 14.1122 k = 0.3875 0.2237 0.2512 ( 5002 PWs) bands (ev): -17.6395 -17.6395 -17.6395 -17.6395 -4.4277 -4.4277 -4.4277 -4.4277 -2.6641 -2.6641 -2.6641 -2.6641 -2.3696 -2.3696 -2.3696 -2.3696 -0.4414 -0.4414 -0.4414 -0.4414 4.2727 4.2727 4.2727 4.2727 4.6793 4.6793 4.6793 4.6793 5.0890 5.0890 5.0890 5.0890 5.8424 5.8424 5.8424 5.8424 6.2510 6.2510 6.2510 6.2510 6.4398 6.4398 6.4398 6.4398 8.4727 8.4727 8.4727 8.4727 8.8946 8.8946 8.8946 8.8946 10.8239 10.8239 10.8239 10.8239 12.0792 12.0792 12.0792 12.0792 14.1954 14.1954 k = 0.4000 0.2309 0.2512 ( 5000 PWs) bands (ev): -17.6388 -17.6388 -17.6388 -17.6388 -4.4299 -4.4299 -4.4299 -4.4299 -2.6662 -2.6662 -2.6662 -2.6662 -2.3697 -2.3697 -2.3697 -2.3697 -0.4362 -0.4362 -0.4362 -0.4362 4.2934 4.2934 4.2934 4.2934 4.6744 4.6744 4.6744 4.6744 5.0867 5.0867 5.0867 5.0867 5.8426 5.8426 5.8426 5.8426 6.2460 6.2460 6.2460 6.2460 6.3988 6.3988 6.3988 6.3988 8.4286 8.4286 8.4286 8.4286 8.9239 8.9239 8.9239 8.9239 10.8037 10.8037 10.8037 10.8037 12.0796 12.0796 12.0796 12.0796 14.2736 14.2736 k = 0.4125 0.2382 0.2512 ( 4998 PWs) bands (ev): -17.6383 -17.6383 -17.6383 -17.6383 -4.4319 -4.4319 -4.4319 -4.4319 -2.6682 -2.6682 -2.6682 -2.6682 -2.3697 -2.3697 -2.3697 -2.3697 -0.4316 -0.4316 -0.4316 -0.4316 4.3139 4.3139 4.3139 4.3139 4.6690 4.6690 4.6690 4.6690 5.0830 5.0830 5.0830 5.0830 5.8432 5.8432 5.8432 5.8432 6.2392 6.2392 6.2392 6.2392 6.3657 6.3657 6.3657 6.3657 8.3887 8.3887 8.3887 8.3887 8.9504 8.9504 8.9504 8.9504 10.7868 10.7868 10.7868 10.7868 12.0785 12.0785 12.0785 12.0785 14.3457 14.3457 k = 0.4250 0.2454 0.2512 ( 5008 PWs) bands (ev): -17.6377 -17.6377 -17.6377 -17.6377 -4.4337 -4.4337 -4.4337 -4.4337 -2.6701 -2.6701 -2.6701 -2.6701 -2.3695 -2.3695 -2.3695 -2.3695 -0.4274 -0.4274 -0.4274 -0.4274 4.3337 4.3337 4.3337 4.3337 4.6631 4.6631 4.6631 4.6631 5.0782 5.0782 5.0782 5.0782 5.8440 5.8440 5.8440 5.8440 6.2302 6.2302 6.2302 6.2302 6.3406 6.3406 6.3406 6.3406 8.3534 8.3534 8.3534 8.3534 8.9737 8.9737 8.9737 8.9737 10.7729 10.7729 10.7729 10.7729 12.0762 12.0762 12.0762 12.0762 14.4110 14.4110 k = 0.4375 0.2526 0.2512 ( 5000 PWs) bands (ev): -17.6373 -17.6373 -17.6373 -17.6373 -4.4352 -4.4352 -4.4352 -4.4352 -2.6717 -2.6717 -2.6717 -2.6717 -2.3692 -2.3692 -2.3692 -2.3692 -0.4239 -0.4239 -0.4239 -0.4239 4.3524 4.3524 4.3524 4.3524 4.6569 4.6569 4.6569 4.6569 5.0728 5.0728 5.0728 5.0728 5.8450 5.8450 5.8450 5.8450 6.2197 6.2197 6.2197 6.2197 6.3230 6.3230 6.3230 6.3230 8.3229 8.3229 8.3229 8.3229 8.9937 8.9937 8.9937 8.9937 10.7618 10.7618 10.7618 10.7618 12.0731 12.0731 12.0731 12.0731 14.4684 14.4684 k = 0.4500 0.2598 0.2512 ( 5002 PWs) bands (ev): -17.6369 -17.6369 -17.6369 -17.6369 -4.4365 -4.4365 -4.4365 -4.4365 -2.6731 -2.6731 -2.6731 -2.6731 -2.3688 -2.3688 -2.3688 -2.3688 -0.4210 -0.4210 -0.4210 -0.4210 4.3695 4.3695 4.3695 4.3695 4.6506 4.6506 4.6506 4.6506 5.0673 5.0673 5.0673 5.0673 5.8460 5.8460 5.8460 5.8460 6.2088 6.2088 6.2088 6.2088 6.3113 6.3113 6.3113 6.3113 8.2975 8.2975 8.2975 8.2975 9.0102 9.0102 9.0102 9.0102 10.7532 10.7532 10.7532 10.7532 12.0698 12.0698 12.0698 12.0698 14.5169 14.5169 k = 0.4625 0.2670 0.2512 ( 5006 PWs) bands (ev): -17.6367 -17.6367 -17.6367 -17.6367 -4.4375 -4.4375 -4.4375 -4.4375 -2.6743 -2.6743 -2.6743 -2.6743 -2.3686 -2.3686 -2.3686 -2.3686 -0.4187 -0.4187 -0.4187 -0.4187 4.3842 4.3842 4.3842 4.3842 4.6447 4.6447 4.6447 4.6447 5.0624 5.0624 5.0624 5.0624 5.8470 5.8470 5.8470 5.8470 6.1989 6.1989 6.1989 6.1989 6.3038 6.3038 6.3038 6.3038 8.2775 8.2775 8.2775 8.2775 9.0231 9.0231 9.0231 9.0231 10.7468 10.7468 10.7468 10.7468 12.0668 12.0668 12.0668 12.0668 14.5557 14.5557 k = 0.4750 0.2742 0.2512 ( 5010 PWs) bands (ev): -17.6364 -17.6364 -17.6364 -17.6364 -4.4383 -4.4383 -4.4383 -4.4383 -2.6751 -2.6751 -2.6751 -2.6751 -2.3683 -2.3683 -2.3683 -2.3683 -0.4170 -0.4170 -0.4170 -0.4170 4.3956 4.3956 4.3956 4.3956 4.6397 4.6397 4.6397 4.6397 5.0585 5.0585 5.0585 5.0585 5.8478 5.8478 5.8478 5.8478 6.1912 6.1912 6.1912 6.1912 6.2993 6.2993 6.2993 6.2993 8.2631 8.2631 8.2631 8.2631 9.0323 9.0323 9.0323 9.0323 10.7425 10.7425 10.7425 10.7425 12.0642 12.0642 12.0642 12.0642 14.5840 14.5840 k = 0.4875 0.2815 0.2512 ( 5010 PWs) bands (ev): -17.6363 -17.6363 -17.6363 -17.6363 -4.4387 -4.4387 -4.4387 -4.4387 -2.6756 -2.6756 -2.6756 -2.6756 -2.3682 -2.3682 -2.3682 -2.3682 -0.4160 -0.4160 -0.4160 -0.4160 4.4029 4.4029 4.4029 4.4029 4.6364 4.6364 4.6364 4.6364 5.0559 5.0559 5.0559 5.0559 5.8483 5.8483 5.8483 5.8483 6.1864 6.1864 6.1864 6.1864 6.2969 6.2969 6.2969 6.2969 8.2544 8.2544 8.2544 8.2544 9.0379 9.0379 9.0379 9.0379 10.7400 10.7400 10.7400 10.7400 12.0626 12.0626 12.0626 12.0626 14.6013 14.6013 k = 0.5000 0.2887 0.2512 ( 5012 PWs) bands (ev): -17.6363 -17.6363 -17.6363 -17.6363 -4.4388 -4.4388 -4.4388 -4.4388 -2.6758 -2.6758 -2.6758 -2.6758 -2.3681 -2.3681 -2.3681 -2.3681 -0.4157 -0.4157 -0.4157 -0.4157 4.4054 4.4054 4.4054 4.4054 4.6352 4.6352 4.6352 4.6352 5.0551 5.0551 5.0551 5.0551 5.8484 5.8484 5.8484 5.8484 6.1847 6.1847 6.1847 6.1847 6.2962 6.2962 6.2962 6.2962 8.2515 8.2515 8.2515 8.2515 9.0398 9.0398 9.0398 9.0398 10.7391 10.7391 10.7391 10.7391 12.0621 12.0621 12.0621 12.0621 14.6070 14.6070 k = 0.5000 0.2887 0.2512 ( 5012 PWs) bands (ev): -17.6363 -17.6363 -17.6363 -17.6363 -4.4388 -4.4388 -4.4388 -4.4388 -2.6758 -2.6758 -2.6758 -2.6758 -2.3681 -2.3681 -2.3681 -2.3681 -0.4157 -0.4157 -0.4157 -0.4157 4.4054 4.4054 4.4054 4.4054 4.6352 4.6352 4.6352 4.6352 5.0551 5.0551 5.0551 5.0551 5.8484 5.8484 5.8484 5.8484 6.1847 6.1847 6.1847 6.1847 6.2962 6.2962 6.2962 6.2962 8.2515 8.2515 8.2515 8.2515 9.0398 9.0398 9.0398 9.0398 10.7391 10.7391 10.7391 10.7391 12.0621 12.0621 12.0621 12.0621 14.6070 14.6070 k = 0.4931 0.3007 0.2512 ( 5006 PWs) bands (ev): -17.6363 -17.6363 -17.6363 -17.6363 -4.4392 -4.4392 -4.4385 -4.4385 -2.6775 -2.6775 -2.6736 -2.6736 -2.3689 -2.3689 -2.3682 -2.3682 -0.4187 -0.4187 -0.4121 -0.4121 4.4017 4.4017 4.4081 4.4081 4.6147 4.6147 4.6571 4.6571 5.0454 5.0454 5.0648 5.0648 5.8408 5.8408 5.8560 5.8560 6.1759 6.1759 6.1947 6.1947 6.2941 6.2941 6.2989 6.2989 8.2309 8.2309 8.2631 8.2631 9.0370 9.0370 9.0432 9.0432 10.7396 10.7396 10.7408 10.7408 12.0646 12.0646 12.0716 12.0716 14.5912 14.5925 k = 0.4861 0.3127 0.2512 ( 5014 PWs) bands (ev): -17.6362 -17.6362 -17.6362 -17.6362 -4.4395 -4.4395 -4.4382 -4.4382 -2.6789 -2.6789 -2.6710 -2.6710 -2.3704 -2.3704 -2.3691 -2.3691 -0.4212 -0.4212 -0.4081 -0.4081 4.3972 4.3972 4.4097 4.4097 4.5959 4.5959 4.6802 4.6802 5.0362 5.0362 5.0744 5.0744 5.8332 5.8332 5.8632 5.8632 6.1681 6.1681 6.2057 6.2057 6.2927 6.2927 6.3023 6.3023 8.2017 8.2017 8.2655 8.2655 9.0349 9.0349 9.0473 9.0473 10.7423 10.7423 10.7443 10.7443 12.0792 12.0792 12.0928 12.0928 14.5535 14.5547 k = 0.4792 0.3248 0.2512 ( 5006 PWs) bands (ev): -17.6362 -17.6362 -17.6362 -17.6362 -4.4399 -4.4399 -4.4379 -4.4379 -2.6799 -2.6799 -2.6681 -2.6681 -2.3727 -2.3727 -2.3709 -2.3709 -0.4232 -0.4232 -0.4036 -0.4036 4.3919 4.3919 4.4099 4.4099 4.5791 4.5791 4.7043 4.7043 5.0276 5.0276 5.0836 5.0836 5.8257 5.8257 5.8699 5.8699 6.1614 6.1614 6.2179 6.2179 6.2921 6.2921 6.3062 6.3062 8.1646 8.1646 8.2587 8.2587 9.0333 9.0333 9.0520 9.0520 10.7473 10.7473 10.7497 10.7497 12.1056 12.1056 12.1252 12.1252 14.5022 14.5028 k = 0.4722 0.3368 0.2512 ( 5002 PWs) bands (ev): -17.6361 -17.6361 -17.6361 -17.6361 -4.4402 -4.4402 -4.4376 -4.4376 -2.6805 -2.6805 -2.6647 -2.6647 -2.3758 -2.3758 -2.3735 -2.3735 -0.4247 -0.4247 -0.3987 -0.3987 4.3860 4.3860 4.4086 4.4086 4.5644 4.5644 4.7290 4.7290 5.0198 5.0198 5.0924 5.0924 5.8187 5.8187 5.8761 5.8761 6.1557 6.1557 6.2309 6.2309 6.2924 6.2924 6.3106 6.3106 8.1206 8.1206 8.2430 8.2430 9.0325 9.0325 9.0573 9.0573 10.7546 10.7546 10.7565 10.7565 12.1433 12.1433 12.1680 12.1680 14.4431 14.4431 k = 0.4653 0.3488 0.2512 ( 5002 PWs) bands (ev): -17.6360 -17.6360 -17.6360 -17.6360 -4.4406 -4.4406 -4.4374 -4.4374 -2.6808 -2.6808 -2.6609 -2.6609 -2.3795 -2.3795 -2.3769 -2.3769 -0.4256 -0.4256 -0.3934 -0.3934 4.3794 4.3794 4.4056 4.4056 4.5522 4.5522 4.7541 4.7541 5.0132 5.0132 5.1004 5.1004 5.8122 5.8122 5.8816 5.8816 6.1511 6.1511 6.2445 6.2445 6.2940 6.2940 6.3154 6.3154 8.0704 8.0704 8.2188 8.2188 9.0322 9.0322 9.0632 9.0632 10.7641 10.7641 10.7647 10.7647 12.1916 12.1916 12.2201 12.2201 14.3808 14.3819 k = 0.4583 0.3608 0.2512 ( 4998 PWs) bands (ev): -17.6359 -17.6359 -17.6358 -17.6358 -4.4409 -4.4409 -4.4371 -4.4371 -2.6807 -2.6807 -2.6568 -2.6568 -2.3838 -2.3838 -2.3811 -2.3811 -0.4261 -0.4261 -0.3878 -0.3878 4.3723 4.3723 4.4008 4.4008 4.5425 4.5425 4.7794 4.7794 5.0080 5.0080 5.1075 5.1075 5.8063 5.8063 5.8863 5.8863 6.1475 6.1475 6.2577 6.2577 6.2980 6.2980 6.3204 6.3204 8.0151 8.0151 8.1869 8.1869 9.0325 9.0325 9.0697 9.0697 10.7740 10.7740 10.7756 10.7756 12.2495 12.2495 12.2803 12.2803 14.3184 14.3185 k = 0.4514 0.3729 0.2512 ( 4988 PWs) bands (ev): -17.6357 -17.6357 -17.6357 -17.6357 -4.4413 -4.4413 -4.4369 -4.4369 -2.6803 -2.6803 -2.6522 -2.6522 -2.3886 -2.3886 -2.3861 -2.3861 -0.4260 -0.4260 -0.3819 -0.3819 4.3647 4.3647 4.3945 4.3945 4.5351 4.5351 4.8045 4.8045 5.0045 5.0045 5.1137 5.1137 5.8013 5.8013 5.8902 5.8902 6.1450 6.1450 6.2686 6.2686 6.3062 6.3062 6.3256 6.3256 7.9557 7.9557 8.1480 8.1480 9.0333 9.0333 9.0766 9.0766 10.7844 10.7844 10.7889 10.7889 12.3159 12.3159 12.3473 12.3473 14.2577 14.2578 k = 0.4444 0.3849 0.2512 ( 4988 PWs) bands (ev): -17.6356 -17.6356 -17.6355 -17.6355 -4.4417 -4.4417 -4.4367 -4.4367 -2.6796 -2.6796 -2.6474 -2.6474 -2.3939 -2.3939 -2.3917 -2.3917 -0.4256 -0.4256 -0.3758 -0.3758 4.3567 4.3567 4.3868 4.3868 4.5296 4.5296 4.8289 4.8289 5.0030 5.0030 5.1188 5.1188 5.7970 5.7970 5.8933 5.8933 6.1437 6.1437 6.2756 6.2756 6.3202 6.3202 6.3307 6.3307 7.8931 7.8931 8.1031 8.1031 9.0347 9.0347 9.0839 9.0839 10.7956 10.7956 10.8037 10.8037 12.3895 12.3895 12.4196 12.4196 14.1997 14.1997 k = 0.4375 0.3969 0.2512 ( 4992 PWs) bands (ev): -17.6354 -17.6354 -17.6353 -17.6353 -4.4420 -4.4420 -4.4365 -4.4365 -2.6787 -2.6787 -2.6421 -2.6421 -2.3995 -2.3995 -2.3979 -2.3979 -0.4247 -0.4247 -0.3696 -0.3696 4.3483 4.3483 4.3783 4.3783 4.5258 4.5258 4.8523 4.8523 5.0038 5.0038 5.1228 5.1228 5.7937 5.7937 5.8955 5.8955 6.1434 6.1434 6.2795 6.2795 6.3356 6.3356 6.3391 6.3391 7.8285 7.8285 8.0531 8.0531 9.0366 9.0366 9.0915 9.0915 10.8076 10.8076 10.8198 10.8198 12.4690 12.4690 12.4958 12.4958 14.1450 14.1450 k = 0.4306 0.4090 0.2512 ( 4996 PWs) bands (ev): -17.6352 -17.6352 -17.6351 -17.6351 -4.4424 -4.4424 -4.4364 -4.4364 -2.6775 -2.6775 -2.6366 -2.6366 -2.4054 -2.4054 -2.4047 -2.4047 -0.4234 -0.4234 -0.3633 -0.3633 4.3396 4.3396 4.3695 4.3695 4.5230 4.5230 4.8740 4.8740 5.0074 5.0074 5.1259 5.1259 5.7912 5.7912 5.8968 5.8968 6.1443 6.1443 6.2819 6.2819 6.3401 6.3401 6.3615 6.3615 7.7626 7.7626 7.9988 7.9988 9.0389 9.0389 9.0994 9.0994 10.8201 10.8201 10.8369 10.8369 12.5528 12.5528 12.5742 12.5742 14.0942 14.0942 k = 0.4236 0.4210 0.2512 ( 4992 PWs) bands (ev): -17.6350 -17.6350 -17.6349 -17.6349 -4.4428 -4.4428 -4.4362 -4.4362 -2.6762 -2.6762 -2.6308 -2.6308 -2.4120 -2.4120 -2.4114 -2.4114 -0.4219 -0.4219 -0.3570 -0.3570 4.3308 4.3308 4.3606 4.3606 4.5209 4.5209 4.8934 4.8934 5.0140 5.0140 5.1279 5.1279 5.7896 5.7896 5.8974 5.8974 6.1463 6.1463 6.2835 6.2835 6.3441 6.3441 6.3865 6.3865 7.6965 7.6965 7.9412 7.9412 9.0417 9.0417 9.1074 9.1074 10.8330 10.8330 10.8546 10.8546 12.6394 12.6394 12.6534 12.6534 14.0477 14.0477 k = 0.4167 0.4330 0.2512 ( 4998 PWs) bands (ev): -17.6348 -17.6348 -17.6347 -17.6347 -4.4432 -4.4432 -4.4362 -4.4362 -2.6747 -2.6747 -2.6247 -2.6247 -2.4197 -2.4197 -2.4175 -2.4175 -0.4201 -0.4201 -0.3508 -0.3508 4.3219 4.3219 4.3521 4.3521 4.5191 4.5191 4.9103 4.9103 5.0237 5.0237 5.1291 5.1291 5.7887 5.7887 5.8972 5.8972 6.1494 6.1494 6.2847 6.2847 6.3474 6.3474 6.4138 6.4138 7.6309 7.6309 7.8812 7.8812 9.0447 9.0447 9.1153 9.1153 10.8461 10.8461 10.8726 10.8726 12.7271 12.7271 12.7316 12.7316 14.0059 14.0059 k = 0.4097 0.4450 0.2512 ( 4994 PWs) bands (ev): -17.6346 -17.6346 -17.6345 -17.6345 -4.4436 -4.4436 -4.4361 -4.4361 -2.6731 -2.6731 -2.6184 -2.6184 -2.4277 -2.4277 -2.4235 -2.4235 -0.4181 -0.4181 -0.3447 -0.3447 4.3130 4.3130 4.3441 4.3441 4.5174 4.5174 4.9247 4.9247 5.0359 5.0359 5.1294 5.1294 5.7884 5.7884 5.8964 5.8964 6.1537 6.1537 6.2855 6.2855 6.3500 6.3500 6.4431 6.4431 7.5668 7.5668 7.8194 7.8194 9.0480 9.0480 9.1232 9.1232 10.8593 10.8593 10.8906 10.8906 12.8074 12.8074 12.8143 12.8143 13.9690 13.9690 k = 0.4028 0.4571 0.2512 ( 4992 PWs) bands (ev): -17.6344 -17.6344 -17.6342 -17.6342 -4.4439 -4.4439 -4.4361 -4.4361 -2.6715 -2.6715 -2.6120 -2.6120 -2.4360 -2.4360 -2.4294 -2.4294 -0.4160 -0.4160 -0.3388 -0.3388 4.3044 4.3044 4.3370 4.3370 4.5156 4.5156 4.9372 4.9372 5.0499 5.0499 5.1292 5.1292 5.7887 5.7887 5.8951 5.8951 6.1591 6.1591 6.2861 6.2861 6.3515 6.3515 6.4742 6.4742 7.5049 7.5049 7.7568 7.7568 9.0514 9.0514 9.1310 9.1310 10.8723 10.8723 10.9082 10.9082 12.8795 12.8795 12.8993 12.8993 13.9372 13.9372 k = 0.3958 0.4691 0.2512 ( 4988 PWs) bands (ev): -17.6341 -17.6341 -17.6340 -17.6340 -4.4443 -4.4443 -4.4362 -4.4362 -2.6699 -2.6699 -2.6054 -2.6054 -2.4443 -2.4443 -2.4350 -2.4350 -0.4139 -0.4139 -0.3333 -0.3333 4.2961 4.2961 4.3308 4.3308 4.5136 4.5136 4.9482 4.9482 5.0645 5.0645 5.1284 5.1284 5.7895 5.7895 5.8932 5.8932 6.1655 6.1655 6.2865 6.2865 6.3520 6.3520 6.5069 6.5069 7.4460 7.4460 7.6940 7.6940 9.0550 9.0550 9.1384 9.1384 10.8848 10.8848 10.9251 10.9251 12.9467 12.9467 12.9805 12.9805 13.9104 13.9105 k = 0.3889 0.4811 0.2512 ( 4980 PWs) bands (ev): -17.6339 -17.6339 -17.6338 -17.6338 -4.4447 -4.4447 -4.4362 -4.4362 -2.6684 -2.6684 -2.5987 -2.5987 -2.4527 -2.4527 -2.4403 -2.4403 -0.4117 -0.4117 -0.3280 -0.3280 4.2884 4.2884 4.3255 4.3255 4.5113 4.5113 4.9585 4.9585 5.0788 5.0788 5.1272 5.1272 5.7906 5.7906 5.8911 5.8911 6.1729 6.1729 6.2866 6.2866 6.3513 6.3513 6.5408 6.5408 7.3908 7.3908 7.6318 7.6318 9.0586 9.0586 9.1454 9.1454 10.8967 10.8967 10.9411 10.9411 13.0081 13.0081 13.0566 13.0566 13.8887 13.8887 k = 0.3819 0.4932 0.2512 ( 4984 PWs) bands (ev): -17.6337 -17.6337 -17.6336 -17.6336 -4.4451 -4.4451 -4.4363 -4.4363 -2.6669 -2.6669 -2.5920 -2.5920 -2.4610 -2.4610 -2.4451 -2.4451 -0.4096 -0.4096 -0.3232 -0.3232 4.2812 4.2812 4.3214 4.3214 4.5087 4.5087 4.9683 4.9683 5.0919 5.0919 5.1258 5.1258 5.7918 5.7918 5.8887 5.8887 6.1812 6.1812 6.2866 6.2866 6.3494 6.3494 6.5757 6.5757 7.3402 7.3402 7.5711 7.5711 9.0621 9.0621 9.1520 9.1520 10.9077 10.9077 10.9558 10.9558 13.0630 13.0630 13.1264 13.1264 13.8716 13.8716 k = 0.3750 0.5052 0.2512 ( 4994 PWs) bands (ev): -17.6336 -17.6336 -17.6334 -17.6334 -4.4454 -4.4454 -4.4364 -4.4364 -2.6656 -2.6656 -2.5855 -2.5855 -2.4690 -2.4690 -2.4495 -2.4495 -0.4076 -0.4076 -0.3189 -0.3189 4.2748 4.2748 4.3183 4.3183 4.5057 4.5057 4.9780 4.9780 5.1031 5.1031 5.1243 5.1243 5.7932 5.7932 5.8863 5.8863 6.1902 6.1902 6.2865 6.2865 6.3462 6.3462 6.6108 6.6108 7.2948 7.2948 7.5128 7.5128 9.0654 9.0654 9.1580 9.1580 10.9175 10.9175 10.9688 10.9688 13.1110 13.1110 13.1891 13.1891 13.8586 13.8587 k = 0.3681 0.5172 0.2512 ( 4998 PWs) bands (ev): -17.6334 -17.6334 -17.6333 -17.6333 -4.4457 -4.4457 -4.4365 -4.4365 -2.6644 -2.6644 -2.5792 -2.5792 -2.4766 -2.4766 -2.4532 -2.4532 -0.4058 -0.4058 -0.3151 -0.3151 4.2692 4.2692 4.3163 4.3163 4.5026 4.5026 4.9874 4.9874 5.1121 5.1121 5.1228 5.1228 5.7945 5.7945 5.8839 5.8839 6.1997 6.1997 6.2862 6.2862 6.3418 6.3418 6.6453 6.6453 7.2553 7.2553 7.4580 7.4580 9.0684 9.0684 9.1632 9.1632 10.9261 10.9261 10.9801 10.9801 13.1520 13.1520 13.2442 13.2442 13.8488 13.8492 k = 0.3611 0.5292 0.2512 ( 4998 PWs) bands (ev): -17.6333 -17.6333 -17.6331 -17.6331 -4.4460 -4.4460 -4.4366 -4.4366 -2.6635 -2.6635 -2.5733 -2.5733 -2.4836 -2.4836 -2.4563 -2.4563 -0.4042 -0.4042 -0.3120 -0.3120 4.2645 4.2645 4.3152 4.3152 4.4995 4.4995 4.9965 4.9965 5.1185 5.1185 5.1214 5.1214 5.7958 5.7958 5.8817 5.8817 6.2093 6.2093 6.2859 6.2859 6.3363 6.3363 6.6781 6.6781 7.2222 7.2222 7.4083 7.4083 9.0711 9.0711 9.1677 9.1677 10.9331 10.9331 10.9894 10.9894 13.1859 13.1859 13.2910 13.2910 13.8327 13.8398 k = 0.3542 0.5413 0.2512 ( 5006 PWs) bands (ev): -17.6332 -17.6332 -17.6330 -17.6330 -4.4462 -4.4462 -4.4367 -4.4367 -2.6627 -2.6627 -2.5681 -2.5681 -2.4897 -2.4897 -2.4587 -2.4587 -0.4029 -0.4029 -0.3094 -0.3094 4.2608 4.2608 4.3148 4.3148 4.4965 4.4965 5.0049 5.0049 5.1201 5.1201 5.1225 5.1225 5.7969 5.7969 5.8798 5.8798 6.2187 6.2187 6.2855 6.2855 6.3302 6.3302 6.7074 6.7074 7.1961 7.1961 7.3655 7.3655 9.0734 9.0734 9.1713 9.1713 10.9386 10.9386 10.9966 10.9966 13.2127 13.2127 13.3293 13.3293 13.8245 13.8245 k = 0.3472 0.5533 0.2512 ( 5010 PWs) bands (ev): -17.6331 -17.6331 -17.6329 -17.6329 -4.4464 -4.4464 -4.4368 -4.4368 -2.6622 -2.6622 -2.5640 -2.5640 -2.4945 -2.4945 -2.4604 -2.4604 -0.4020 -0.4020 -0.3076 -0.3076 4.2582 4.2582 4.3150 4.3150 4.4939 4.4939 5.0121 5.0121 5.1191 5.1191 5.1242 5.1242 5.7977 5.7977 5.8783 5.8783 6.2269 6.2269 6.2852 6.2852 6.3241 6.3241 6.7310 6.7310 7.1773 7.1773 7.3320 7.3320 9.0751 9.0751 9.1740 9.1740 10.9425 10.9425 11.0017 11.0017 13.2323 13.2323 13.3582 13.3582 13.8181 13.8193 k = 0.3403 0.5653 0.2512 ( 5024 PWs) bands (ev): -17.6330 -17.6330 -17.6329 -17.6329 -4.4466 -4.4466 -4.4369 -4.4369 -2.6620 -2.6620 -2.5613 -2.5613 -2.4976 -2.4976 -2.4615 -2.4615 -0.4014 -0.4014 -0.3065 -0.3065 4.2566 4.2566 4.3154 4.3154 4.4920 4.4920 5.0172 5.0172 5.1185 5.1185 5.1245 5.1245 5.7983 5.7983 5.8773 5.8773 6.2329 6.2329 6.2850 6.2850 6.3194 6.3194 6.7466 6.7466 7.1660 7.1660 7.3104 7.3104 9.0762 9.0762 9.1757 9.1757 10.9448 10.9448 11.0047 11.0047 13.2443 13.2443 13.3766 13.3766 13.8136 13.8202 k = 0.3333 0.5774 0.2512 ( 5016 PWs) bands (ev): -17.6330 -17.6330 -17.6329 -17.6329 -4.4466 -4.4466 -4.4369 -4.4369 -2.6619 -2.6619 -2.5603 -2.5603 -2.4987 -2.4987 -2.4618 -2.4618 -0.4012 -0.4012 -0.3061 -0.3061 4.2561 4.2561 4.3156 4.3156 4.4914 4.4914 5.0192 5.0192 5.1183 5.1183 5.1243 5.1243 5.7985 5.7985 5.8769 5.8769 6.2351 6.2351 6.2849 6.2849 6.3175 6.3175 6.7521 6.7521 7.1623 7.1623 7.3029 7.3029 9.0765 9.0765 9.1762 9.1762 10.9455 10.9455 11.0056 11.0056 13.2484 13.2484 13.3831 13.3831 13.8119 13.8228 k = 0.3333 0.5774 0.2512 ( 5016 PWs) bands (ev): -17.6330 -17.6330 -17.6329 -17.6329 -4.4466 -4.4466 -4.4369 -4.4369 -2.6619 -2.6619 -2.5603 -2.5603 -2.4987 -2.4987 -2.4618 -2.4618 -0.4012 -0.4012 -0.3061 -0.3061 4.2561 4.2561 4.3156 4.3156 4.4914 4.4914 5.0192 5.0192 5.1183 5.1183 5.1243 5.1243 5.7985 5.7985 5.8769 5.8769 6.2351 6.2351 6.2849 6.2849 6.3175 6.3175 6.7521 6.7521 7.1623 7.1623 7.3029 7.3029 9.0765 9.0765 9.1762 9.1762 10.9455 10.9455 11.0056 11.0056 13.2484 13.2484 13.3831 13.3831 13.8205 13.8228 k = 0.3262 0.5651 0.2512 ( 5018 PWs) bands (ev): -17.6330 -17.6330 -17.6329 -17.6329 -4.4465 -4.4465 -4.4369 -4.4369 -2.6620 -2.6620 -2.5613 -2.5613 -2.4976 -2.4976 -2.4615 -2.4615 -0.4014 -0.4014 -0.3065 -0.3065 4.2566 4.2566 4.3152 4.3152 4.4922 4.4922 5.0168 5.0168 5.1185 5.1185 5.1249 5.1249 5.7982 5.7982 5.8773 5.8773 6.2327 6.2327 6.2850 6.2850 6.3197 6.3197 6.7465 6.7465 7.1661 7.1661 7.3107 7.3107 9.0761 9.0761 9.1756 9.1756 10.9448 10.9448 11.0047 11.0047 13.2440 13.2440 13.3761 13.3761 13.8142 13.8143 k = 0.3191 0.5528 0.2512 ( 5014 PWs) bands (ev): -17.6331 -17.6331 -17.6330 -17.6330 -4.4464 -4.4464 -4.4368 -4.4368 -2.6622 -2.6622 -2.5637 -2.5637 -2.4947 -2.4947 -2.4605 -2.4605 -0.4021 -0.4021 -0.3077 -0.3077 4.2581 4.2581 4.3138 4.3138 4.4950 4.4950 5.0091 5.0091 5.1194 5.1194 5.1271 5.1271 5.7975 5.7975 5.8786 5.8786 6.2261 6.2261 6.2854 6.2854 6.3257 6.3257 6.7307 6.7307 7.1774 7.1774 7.3331 7.3331 9.0748 9.0748 9.1738 9.1738 10.9429 10.9429 11.0022 11.0022 13.2308 13.2308 13.3558 13.3558 13.8222 13.8223 k = 0.3121 0.5405 0.2512 ( 5006 PWs) bands (ev): -17.6332 -17.6332 -17.6331 -17.6331 -4.4461 -4.4461 -4.4366 -4.4366 -2.6625 -2.6625 -2.5672 -2.5672 -2.4905 -2.4905 -2.4589 -2.4589 -0.4032 -0.4032 -0.3097 -0.3097 4.2605 4.2605 4.3111 4.3111 4.5000 4.5000 4.9962 4.9962 5.1209 5.1209 5.1310 5.1310 5.7963 5.7963 5.8808 5.8808 6.2168 6.2168 6.2861 6.2861 6.3345 6.3345 6.7075 6.7075 7.1958 7.1958 7.3676 7.3676 9.0724 9.0724 9.1706 9.1706 10.9401 10.9401 10.9983 10.9983 13.2091 13.2091 13.3238 13.3238 13.8369 13.8370 k = 0.3050 0.5282 0.2512 ( 4990 PWs) bands (ev): -17.6334 -17.6334 -17.6332 -17.6332 -4.4457 -4.4457 -4.4363 -4.4363 -2.6628 -2.6628 -2.5713 -2.5713 -2.4855 -2.4855 -2.4569 -2.4569 -0.4048 -0.4048 -0.3125 -0.3125 4.2636 4.2636 4.3068 4.3068 4.5071 4.5071 4.9790 4.9790 5.1232 5.1232 5.1360 5.1360 5.7944 5.7944 5.8840 5.8840 6.2063 6.2063 6.2872 6.2872 6.3449 6.3449 6.6796 6.6796 7.2207 7.2207 7.4116 7.4116 9.0690 9.0690 9.1661 9.1661 10.9368 10.9368 10.9935 10.9935 13.1799 13.1799 13.2828 13.2828 13.8586 13.8586 k = 0.2979 0.5159 0.2512 ( 4994 PWs) bands (ev): -17.6336 -17.6336 -17.6334 -17.6334 -4.4452 -4.4452 -4.4359 -4.4359 -2.6632 -2.6632 -2.5756 -2.5756 -2.4800 -2.4800 -2.4544 -2.4544 -0.4069 -0.4069 -0.3162 -0.3162 4.2672 4.2672 4.3010 4.3010 4.5163 4.5163 4.9585 4.9585 5.1263 5.1263 5.1414 5.1414 5.7919 5.7919 5.8880 5.8880 6.1960 6.1960 6.2888 6.2888 6.3566 6.3566 6.6496 6.6496 7.2516 7.2516 7.4627 7.4627 9.0645 9.0645 9.1603 9.1603 10.9333 10.9333 10.9882 10.9882 13.1444 13.1444 13.2354 13.2354 13.8868 13.8868 k = 0.2908 0.5036 0.2512 ( 5006 PWs) bands (ev): -17.6338 -17.6338 -17.6337 -17.6337 -4.4445 -4.4445 -4.4354 -4.4354 -2.6634 -2.6634 -2.5800 -2.5800 -2.4742 -2.4742 -2.4515 -2.4515 -0.4095 -0.4095 -0.3205 -0.3205 4.2712 4.2712 4.2937 4.2937 4.5273 4.5273 4.9355 4.9355 5.1302 5.1302 5.1465 5.1465 5.7887 5.7887 5.8928 5.8928 6.1867 6.1867 6.2907 6.2907 6.3692 6.3692 6.6196 6.6196 7.2880 7.2880 7.5191 7.5191 9.0588 9.0588 9.1531 9.1531 10.9301 10.9301 10.9829 10.9829 13.1039 13.1039 13.1837 13.1837 13.9202 13.9202 k = 0.2837 0.4914 0.2512 ( 5002 PWs) bands (ev): -17.6341 -17.6341 -17.6340 -17.6340 -4.4436 -4.4436 -4.4347 -4.4347 -2.6637 -2.6637 -2.5842 -2.5842 -2.4682 -2.4682 -2.4483 -2.4483 -0.4126 -0.4126 -0.3257 -0.3257 4.2751 4.2751 4.2852 4.2852 4.5396 4.5396 4.9111 4.9111 5.1350 5.1350 5.1509 5.1509 5.7848 5.7848 5.8979 5.8979 6.1793 6.1793 6.2930 6.2930 6.3828 6.3828 6.5912 6.5912 7.3292 7.3292 7.5794 7.5794 9.0518 9.0518 9.1447 9.1447 10.9276 10.9276 10.9780 10.9780 13.0598 13.0598 13.1292 13.1292 13.9562 13.9562 k = 0.2766 0.4791 0.2512 ( 4996 PWs) bands (ev): -17.6345 -17.6345 -17.6344 -17.6344 -4.4426 -4.4426 -4.4339 -4.4339 -2.6638 -2.6638 -2.5882 -2.5882 -2.4623 -2.4623 -2.4447 -2.4447 -0.4160 -0.4160 -0.3315 -0.3315 4.2757 4.2757 4.2788 4.2788 4.5527 4.5527 4.8860 4.8860 5.1406 5.1406 5.1541 5.1541 5.7803 5.7803 5.9031 5.9031 6.1744 6.1744 6.2956 6.2956 6.3976 6.3976 6.5657 6.5657 7.3746 7.3746 7.6426 7.6426 9.0436 9.0436 9.1350 9.1350 10.9264 10.9264 10.9739 10.9739 13.0129 13.0129 13.0730 13.0730 13.9686 13.9687 k = 0.2695 0.4668 0.2512 ( 4994 PWs) bands (ev): -17.6349 -17.6349 -17.6348 -17.6348 -4.4414 -4.4414 -4.4330 -4.4330 -2.6638 -2.6638 -2.5920 -2.5920 -2.4563 -2.4563 -2.4410 -2.4410 -0.4199 -0.4199 -0.3380 -0.3380 4.2653 4.2653 4.2819 4.2819 4.5662 4.5662 4.8609 4.8609 5.1469 5.1469 5.1559 5.1559 5.7754 5.7754 5.9077 5.9077 6.1726 6.1726 6.2981 6.2981 6.4140 6.4140 6.5444 6.5444 7.4237 7.4237 7.7078 7.7078 9.0341 9.0341 9.1241 9.1241 10.9267 10.9267 10.9712 10.9712 12.9642 12.9642 13.0160 13.0160 13.9386 13.9386 k = 0.2624 0.4545 0.2512 ( 4998 PWs) bands (ev): -17.6354 -17.6354 -17.6353 -17.6353 -4.4400 -4.4400 -4.4319 -4.4319 -2.6637 -2.6637 -2.5956 -2.5956 -2.4505 -2.4505 -2.4370 -2.4370 -0.4242 -0.4242 -0.3451 -0.3451 4.2542 4.2542 4.2840 4.2840 4.5797 4.5797 4.8364 4.8364 5.1537 5.1537 5.1561 5.1561 5.7702 5.7702 5.9111 5.9111 6.1743 6.1743 6.3002 6.3002 6.4325 6.4325 6.5284 6.5284 7.4760 7.4760 7.7745 7.7745 9.0234 9.0234 9.1124 9.1124 10.9292 10.9292 10.9702 10.9702 12.9144 12.9144 12.9587 12.9587 13.8818 13.8818 k = 0.2553 0.4422 0.2512 ( 4986 PWs) bands (ev): -17.6359 -17.6359 -17.6358 -17.6358 -4.4385 -4.4385 -4.4306 -4.4306 -2.6634 -2.6634 -2.5989 -2.5989 -2.4447 -2.4447 -2.4329 -2.4329 -0.4288 -0.4288 -0.3527 -0.3527 4.2426 4.2426 4.2848 4.2848 4.5927 4.5927 4.8132 4.8132 5.1548 5.1548 5.1606 5.1606 5.7651 5.7651 5.9130 5.9130 6.1795 6.1795 6.3013 6.3013 6.4538 6.4538 6.5189 6.5189 7.5308 7.5308 7.8418 7.8418 9.0117 9.0117 9.0999 9.0999 10.9340 10.9340 10.9713 10.9713 12.8638 12.8638 12.9015 12.9015 13.8074 13.8074 k = 0.2482 0.4299 0.2512 ( 4978 PWs) bands (ev): -17.6365 -17.6365 -17.6364 -17.6364 -4.4368 -4.4368 -4.4292 -4.4292 -2.6630 -2.6630 -2.6020 -2.6020 -2.4389 -2.4389 -2.4286 -2.4286 -0.4338 -0.4338 -0.3609 -0.3609 4.2306 4.2306 4.2839 4.2839 4.6051 4.6051 4.7917 4.7917 5.1518 5.1518 5.1672 5.1672 5.7604 5.7604 5.9131 5.9131 6.1879 6.1879 6.3010 6.3010 6.4786 6.4786 6.5168 6.5168 7.5877 7.5877 7.9093 7.9093 8.9989 8.9989 9.0870 9.0870 10.9417 10.9417 10.9750 10.9750 12.8130 12.8130 12.8445 12.8445 13.7220 13.7220 k = 0.2411 0.4177 0.2512 ( 4986 PWs) bands (ev): -17.6371 -17.6371 -17.6370 -17.6370 -4.4348 -4.4348 -4.4276 -4.4276 -2.6625 -2.6625 -2.6049 -2.6049 -2.4332 -2.4332 -2.4241 -2.4241 -0.4392 -0.4392 -0.3696 -0.3696 4.2183 4.2183 4.2809 4.2809 4.6166 4.6166 4.7724 4.7724 5.1474 5.1474 5.1729 5.1729 5.7566 5.7566 5.9115 5.9115 6.1986 6.1986 6.2989 6.2989 6.5079 6.5079 6.5229 6.5229 7.6462 7.6462 7.9761 7.9761 8.9854 8.9854 9.0742 9.0742 10.9525 10.9525 10.9814 10.9814 12.7621 12.7621 12.7879 12.7879 13.6297 13.6297 k = 0.2340 0.4054 0.2512 ( 4978 PWs) bands (ev): -17.6378 -17.6378 -17.6377 -17.6377 -4.4328 -4.4328 -4.4258 -4.4258 -2.6618 -2.6618 -2.6076 -2.6076 -2.4275 -2.4275 -2.4195 -2.4195 -0.4448 -0.4448 -0.3787 -0.3787 4.2059 4.2059 4.2758 4.2758 4.6270 4.6270 4.7556 4.7556 5.1415 5.1415 5.1771 5.1771 5.7542 5.7542 5.9085 5.9085 6.2106 6.2106 6.2953 6.2953 6.5372 6.5372 6.5424 6.5424 7.7056 7.7056 8.0414 8.0414 8.9714 8.9714 9.0621 9.0621 10.9667 10.9667 10.9909 10.9909 12.7113 12.7113 12.7318 12.7318 13.5334 13.5334 k = 0.2270 0.3931 0.2512 ( 4978 PWs) bands (ev): -17.6385 -17.6385 -17.6385 -17.6385 -4.4305 -4.4305 -4.4239 -4.4239 -2.6611 -2.6611 -2.6101 -2.6101 -2.4219 -2.4219 -2.4148 -2.4148 -0.4506 -0.4506 -0.3881 -0.3881 4.1934 4.1934 4.2684 4.2684 4.6363 4.6363 4.7415 4.7415 5.1343 5.1343 5.1793 5.1793 5.7536 5.7536 5.9044 5.9044 6.2229 6.2229 6.2905 6.2905 6.5596 6.5596 6.5828 6.5828 7.7653 7.7653 8.1044 8.1044 8.9574 8.9574 9.0515 9.0515 10.9845 10.9845 11.0038 11.0038 12.6607 12.6607 12.6761 12.6761 13.4352 13.4352 k = 0.2199 0.3808 0.2512 ( 4982 PWs) bands (ev): -17.6393 -17.6393 -17.6393 -17.6393 -4.4281 -4.4281 -4.4219 -4.4219 -2.6604 -2.6604 -2.6125 -2.6125 -2.4161 -2.4161 -2.4098 -2.4098 -0.4568 -0.4568 -0.3979 -0.3979 4.1808 4.1808 4.2588 4.2588 4.6446 4.6446 4.7301 4.7301 5.1260 5.1260 5.1790 5.1790 5.7551 5.7551 5.8995 5.8995 6.2346 6.2346 6.2849 6.2849 6.5898 6.5898 6.6295 6.6295 7.8248 7.8248 8.1637 8.1637 8.9437 8.9437 9.0436 9.0436 11.0061 11.0061 11.0201 11.0201 12.6103 12.6103 12.6207 12.6207 13.3368 13.3368 k = 0.2128 0.3685 0.2512 ( 4978 PWs) bands (ev): -17.6402 -17.6402 -17.6401 -17.6401 -4.4256 -4.4256 -4.4197 -4.4197 -2.6596 -2.6596 -2.6148 -2.6148 -2.4103 -2.4103 -2.4047 -2.4047 -0.4631 -0.4631 -0.4079 -0.4079 4.1683 4.1683 4.2470 4.2470 4.6519 4.6519 4.7212 4.7212 5.1167 5.1167 5.1758 5.1758 5.7588 5.7588 5.8943 5.8943 6.2451 6.2451 6.2791 6.2791 6.6275 6.6275 6.6827 6.6827 7.8832 7.8832 8.2179 8.2179 8.9311 8.9311 9.0396 9.0396 11.0315 11.0315 11.0399 11.0399 12.5600 12.5600 12.5654 12.5654 13.2396 13.2396 k = 0.2057 0.3562 0.2512 ( 4986 PWs) bands (ev): -17.6410 -17.6410 -17.6410 -17.6410 -4.4230 -4.4230 -4.4174 -4.4174 -2.6588 -2.6588 -2.6171 -2.6171 -2.4043 -2.4043 -2.3993 -2.3993 -0.4697 -0.4697 -0.4182 -0.4182 4.1559 4.1559 4.2334 4.2334 4.6584 4.6584 4.7146 4.7146 5.1065 5.1065 5.1697 5.1697 5.7646 5.7646 5.8891 5.8891 6.2542 6.2542 6.2732 6.2732 6.6724 6.6724 6.7422 6.7422 7.9396 7.9396 8.2655 8.2655 8.9204 8.9204 9.0411 9.0411 11.0608 11.0608 11.0634 11.0634 12.5097 12.5097 12.5099 12.5099 13.1450 13.1450 k = 0.1986 0.3440 0.2512 ( 4982 PWs) bands (ev): -17.6419 -17.6419 -17.6419 -17.6419 -4.4202 -4.4202 -4.4150 -4.4150 -2.6580 -2.6580 -2.6194 -2.6194 -2.3982 -2.3982 -2.3937 -2.3937 -0.4764 -0.4764 -0.4286 -0.4286 4.1435 4.1435 4.2184 4.2184 4.6641 4.6641 4.7100 4.7100 5.0957 5.0957 5.1606 5.1606 5.7724 5.7724 5.8840 5.8840 6.2616 6.2616 6.2674 6.2674 6.7244 6.7244 6.8080 6.8080 7.9930 7.9930 8.3048 8.3048 8.9126 8.9126 9.0497 9.0497 11.0905 11.0905 11.0941 11.0941 12.4538 12.4538 12.4592 12.4592 13.0540 13.0540 k = 0.1915 0.3317 0.2512 ( 4976 PWs) bands (ev): -17.6429 -17.6429 -17.6428 -17.6428 -4.4174 -4.4174 -4.4126 -4.4126 -2.6574 -2.6574 -2.6217 -2.6217 -2.3918 -2.3918 -2.3879 -2.3879 -0.4834 -0.4834 -0.4392 -0.4392 4.1313 4.1313 4.2022 4.2022 4.6692 4.6692 4.7071 4.7071 5.0844 5.0844 5.1491 5.1491 5.7816 5.7816 5.8792 5.8792 6.2617 6.2617 6.2675 6.2675 6.7832 6.7832 6.8795 6.8795 8.0421 8.0421 8.3344 8.3344 8.9090 8.9090 9.0669 9.0669 11.1212 11.1212 11.1312 11.1312 12.3967 12.3967 12.4081 12.4081 12.9677 12.9677 k = 0.1844 0.3194 0.2512 ( 4976 PWs) bands (ev): -17.6438 -17.6438 -17.6438 -17.6438 -4.4145 -4.4145 -4.4100 -4.4100 -2.6568 -2.6568 -2.6240 -2.6240 -2.3852 -2.3852 -2.3817 -2.3817 -0.4904 -0.4904 -0.4499 -0.4499 4.1193 4.1193 4.1853 4.1853 4.6738 4.6738 4.7056 4.7056 5.0727 5.0727 5.1353 5.1353 5.7918 5.7918 5.8749 5.8749 6.2563 6.2563 6.2718 6.2718 6.8487 6.8487 6.9564 6.9564 8.0856 8.0856 8.3534 8.3534 8.9108 8.9108 9.0934 9.0934 11.1552 11.1552 11.1722 11.1722 12.3382 12.3382 12.3562 12.3562 12.8874 12.8874 k = 0.1773 0.3071 0.2512 ( 4972 PWs) bands (ev): -17.6448 -17.6448 -17.6448 -17.6448 -4.4115 -4.4115 -4.4074 -4.4074 -2.6563 -2.6563 -2.6263 -2.6263 -2.3783 -2.3783 -2.3752 -2.3752 -0.4977 -0.4977 -0.4607 -0.4607 4.1074 4.1074 4.1679 4.1679 4.6781 4.6781 4.7050 4.7050 5.0606 5.0606 5.1197 5.1197 5.8027 5.8027 5.8713 5.8713 6.2511 6.2511 6.2747 6.2747 6.9206 6.9206 7.0382 7.0382 8.1222 8.1222 8.3620 8.3620 8.9194 8.9194 9.1292 9.1292 11.1923 11.1923 11.2168 11.2168 12.2781 12.2781 12.3031 12.3031 12.8138 12.8138 k = 0.1702 0.2948 0.2512 ( 4968 PWs) bands (ev): -17.6458 -17.6458 -17.6458 -17.6458 -4.4085 -4.4085 -4.4048 -4.4048 -2.6560 -2.6560 -2.6288 -2.6288 -2.3711 -2.3711 -2.3684 -2.3684 -0.5051 -0.5051 -0.4715 -0.4715 4.0957 4.0957 4.1504 4.1504 4.6822 4.6822 4.7053 4.7053 5.0484 5.0484 5.1028 5.1028 5.8139 5.8139 5.8683 5.8683 6.2461 6.2461 6.2762 6.2762 6.9985 6.9985 7.1245 7.1245 8.1508 8.1508 8.3612 8.3612 8.9361 8.9361 9.1732 9.1732 11.2321 11.2321 11.2649 11.2649 12.2163 12.2163 12.2484 12.2484 12.7477 12.7477 k = 0.1631 0.2825 0.2512 ( 4962 PWs) bands (ev): -17.6469 -17.6469 -17.6468 -17.6468 -4.4055 -4.4055 -4.4021 -4.4021 -2.6558 -2.6558 -2.6313 -2.6313 -2.3636 -2.3636 -2.3613 -2.3613 -0.5126 -0.5126 -0.4823 -0.4823 4.0843 4.0843 4.1330 4.1330 4.6862 4.6862 4.7061 4.7061 5.0360 5.0360 5.0849 5.0849 5.8250 5.8250 5.8662 5.8662 6.2411 6.2411 6.2764 6.2764 7.0821 7.0821 7.2149 7.2149 8.1710 8.1710 8.3523 8.3523 8.9614 8.9614 9.2243 9.2243 11.2740 11.2740 11.3161 11.3161 12.1530 12.1530 12.1919 12.1919 12.6895 12.6895 k = 0.1560 0.2702 0.2512 ( 4974 PWs) bands (ev): -17.6479 -17.6479 -17.6479 -17.6479 -4.4026 -4.4026 -4.3995 -4.3995 -2.6558 -2.6558 -2.6339 -2.6339 -2.3558 -2.3558 -2.3538 -2.3538 -0.5202 -0.5202 -0.4931 -0.4931 4.0731 4.0731 4.1160 4.1160 4.6902 4.6902 4.7074 4.7074 5.0237 5.0237 5.0666 5.0666 5.8359 5.8359 5.8649 5.8649 6.2363 6.2363 6.2753 6.2753 7.1708 7.1708 7.3087 7.3087 8.1828 8.1828 8.3371 8.3371 8.9953 8.9953 9.2807 9.2807 11.3170 11.3170 11.3701 11.3701 12.0892 12.0892 12.1334 12.1334 12.6395 12.6395 k = 0.1489 0.2580 0.2512 ( 4974 PWs) bands (ev): -17.6490 -17.6490 -17.6489 -17.6489 -4.3997 -4.3997 -4.3969 -4.3969 -2.6560 -2.6560 -2.6365 -2.6365 -2.3476 -2.3476 -2.3460 -2.3460 -0.5279 -0.5279 -0.5039 -0.5039 4.0621 4.0621 4.0994 4.0994 4.6942 4.6942 4.7090 4.7090 5.0113 5.0113 5.0480 5.0480 5.8464 5.8464 5.8646 5.8646 6.2314 6.2314 6.2732 6.2732 7.2642 7.2642 7.4054 7.4054 8.1873 8.1873 8.3173 8.3173 9.0374 9.0374 9.3411 9.3411 11.3596 11.3596 11.4264 11.4264 12.0265 12.0265 12.0730 12.0730 12.5976 12.5976 k = 0.1418 0.2457 0.2512 ( 4970 PWs) bands (ev): -17.6500 -17.6500 -17.6500 -17.6500 -4.3968 -4.3968 -4.3943 -4.3943 -2.6564 -2.6564 -2.6392 -2.6392 -2.3391 -2.3391 -2.3378 -2.3378 -0.5357 -0.5357 -0.5145 -0.5145 4.0514 4.0514 4.0834 4.0834 4.6982 4.6982 4.7108 4.7108 4.9990 4.9990 5.0296 5.0296 5.8564 5.8564 5.8651 5.8651 6.2266 6.2266 6.2700 6.2700 7.3616 7.3616 7.5041 7.5041 8.1862 8.1862 8.2944 8.2944 9.0865 9.0865 9.4041 9.4041 11.3993 11.3993 11.4839 11.4839 11.9672 11.9672 12.0111 12.0111 12.5637 12.5637 k = 0.1348 0.2334 0.2512 ( 4970 PWs) bands (ev): -17.6511 -17.6511 -17.6510 -17.6510 -4.3940 -4.3940 -4.3919 -4.3919 -2.6570 -2.6570 -2.6420 -2.6420 -2.3304 -2.3304 -2.3293 -2.3293 -0.5436 -0.5436 -0.5251 -0.5251 4.0410 4.0410 4.0680 4.0680 4.7024 4.7024 4.7128 4.7128 4.9869 4.9869 5.0114 5.0114 5.8660 5.8660 5.8667 5.8667 6.2216 6.2216 6.2657 6.2657 7.4620 7.4620 7.6033 7.6033 8.1817 8.1817 8.2700 8.2700 9.1414 9.1414 9.4687 9.4687 11.4318 11.4318 11.5412 11.5412 11.9155 11.9155 11.9488 11.9488 12.5378 12.5378 k = 0.1277 0.2211 0.2512 ( 4964 PWs) bands (ev): -17.6521 -17.6521 -17.6521 -17.6521 -4.3913 -4.3913 -4.3894 -4.3894 -2.6577 -2.6577 -2.6447 -2.6447 -2.3214 -2.3214 -2.3206 -2.3206 -0.5515 -0.5515 -0.5354 -0.5354 4.0308 4.0308 4.0535 4.0535 4.7067 4.7067 4.7150 4.7150 4.9749 4.9749 4.9938 4.9938 5.8692 5.8692 5.8751 5.8751 6.2166 6.2166 6.2604 6.2604 7.5639 7.5639 7.7006 7.7006 8.1773 8.1773 8.2462 8.2462 9.2009 9.2009 9.5340 9.5340 11.4508 11.4508 11.5946 11.5946 11.8777 11.8777 11.8894 11.8894 12.5199 12.5199 k = 0.1206 0.2088 0.2512 ( 4968 PWs) bands (ev): -17.6531 -17.6531 -17.6531 -17.6531 -4.3888 -4.3888 -4.3871 -4.3871 -2.6586 -2.6586 -2.6475 -2.6475 -2.3123 -2.3123 -2.3116 -2.3116 -0.5594 -0.5594 -0.5457 -0.5457 4.0210 4.0210 4.0397 4.0397 4.7110 4.7110 4.7173 4.7173 4.9632 4.9632 4.9769 4.9769 5.8728 5.8728 5.8838 5.8838 6.2114 6.2114 6.2542 6.2542 7.6651 7.6651 7.7912 7.7912 8.1786 8.1786 8.2256 8.2256 9.2639 9.2639 9.5992 9.5992 11.4490 11.4490 11.6339 11.6339 11.8423 11.8423 11.8603 11.8603 12.5103 12.5103 k = 0.1135 0.1965 0.2512 ( 4972 PWs) bands (ev): -17.6541 -17.6541 -17.6541 -17.6541 -4.3863 -4.3863 -4.3849 -4.3849 -2.6596 -2.6596 -2.6502 -2.6502 -2.3030 -2.3030 -2.3025 -2.3025 -0.5673 -0.5673 -0.5557 -0.5557 4.0115 4.0115 4.0267 4.0267 4.7154 4.7154 4.7197 4.7197 4.9517 4.9517 4.9608 4.9608 5.8774 5.8774 5.8922 5.8922 6.2060 6.2060 6.2472 6.2472 7.7607 7.7607 7.8659 7.8659 8.1957 8.1957 8.2132 8.2132 9.3293 9.3293 9.6638 9.6638 11.4233 11.4233 11.6352 11.6352 11.8307 11.8307 11.8658 11.8658 12.5093 12.5093 k = 0.1064 0.1843 0.2512 ( 4968 PWs) bands (ev): -17.6550 -17.6550 -17.6550 -17.6550 -4.3840 -4.3840 -4.3828 -4.3828 -2.6607 -2.6607 -2.6529 -2.6529 -2.2937 -2.2937 -2.2933 -2.2933 -0.5752 -0.5752 -0.5654 -0.5654 4.0024 4.0024 4.0145 4.0145 4.7199 4.7199 4.7223 4.7223 4.9405 4.9405 4.9457 4.9457 5.8829 5.8829 5.9003 5.9003 6.2004 6.2004 6.2393 6.2393 7.8420 7.8420 7.9128 7.9128 8.2181 8.2181 8.2409 8.2409 9.3963 9.3963 9.7269 9.7269 11.3775 11.3775 11.5910 11.5910 11.8609 11.8609 11.8893 11.8893 12.5175 12.5175 k = 0.0993 0.1720 0.2512 ( 4972 PWs) bands (ev): -17.6560 -17.6560 -17.6560 -17.6560 -4.3818 -4.3818 -4.3808 -4.3808 -2.6620 -2.6620 -2.6555 -2.6555 -2.2843 -2.2843 -2.2841 -2.2841 -0.5829 -0.5829 -0.5748 -0.5748 3.9936 3.9936 4.0032 4.0032 4.7242 4.7242 4.7251 4.7251 4.9296 4.9296 4.9315 4.9315 5.8894 5.8894 5.9083 5.9083 6.1945 6.1945 6.2307 6.2307 7.8957 7.8957 7.9296 7.9296 8.2536 8.2536 8.3170 8.3170 9.4642 9.4642 9.7882 9.7882 11.3182 11.3182 11.5243 11.5243 11.9087 11.9087 11.9231 11.9231 12.5354 12.5354 k = 0.0922 0.1597 0.2512 ( 4972 PWs) bands (ev): -17.6569 -17.6569 -17.6569 -17.6569 -4.3798 -4.3798 -4.3790 -4.3790 -2.6632 -2.6632 -2.6580 -2.6580 -2.2751 -2.2751 -2.2749 -2.2749 -0.5905 -0.5905 -0.5839 -0.5839 3.9853 3.9853 3.9927 3.9927 4.7280 4.7280 4.7285 4.7285 4.9185 4.9185 4.9190 4.9190 5.8968 5.8968 5.9162 5.9162 6.1883 6.1883 6.2213 6.2213 7.9164 7.9164 7.9262 7.9262 8.3252 8.3252 8.4142 8.4142 9.5321 9.5321 9.8470 9.8470 11.2503 11.2503 11.4479 11.4479 11.9601 11.9601 11.9614 11.9614 12.5632 12.5632 k = 0.0851 0.1474 0.2512 ( 4970 PWs) bands (ev): -17.6577 -17.6577 -17.6577 -17.6577 -4.3779 -4.3779 -4.3773 -4.3773 -2.6646 -2.6646 -2.6604 -2.6604 -2.2660 -2.2660 -2.2659 -2.2659 -0.5979 -0.5979 -0.5927 -0.5927 3.9774 3.9774 3.9830 3.9830 4.7310 4.7310 4.7326 4.7326 4.9065 4.9065 4.9089 4.9089 5.9052 5.9052 5.9242 5.9242 6.1817 6.1817 6.2113 6.2113 7.9124 7.9124 7.9136 7.9136 8.4236 8.4236 8.5232 8.5232 9.5996 9.5996 9.9028 9.9028 11.1766 11.1766 11.3655 11.3655 12.0008 12.0008 12.0100 12.0100 12.6008 12.6008 k = 0.0780 0.1351 0.2512 ( 4970 PWs) bands (ev): -17.6585 -17.6585 -17.6585 -17.6585 -4.3762 -4.3762 -4.3757 -4.3757 -2.6659 -2.6659 -2.6627 -2.6627 -2.2572 -2.2572 -2.2572 -2.2572 -0.6050 -0.6050 -0.6009 -0.6009 3.9700 3.9700 3.9741 3.9741 4.7341 4.7341 4.7365 4.7365 4.8957 4.8957 4.8993 4.8993 5.9143 5.9143 5.9323 5.9323 6.1747 6.1747 6.2007 6.2007 7.8936 7.8936 7.8986 7.8986 8.5374 8.5374 8.6388 8.6388 9.6661 9.6661 9.9550 9.9550 11.0986 11.0986 11.2784 11.2784 12.0395 12.0395 12.0564 12.0564 12.6473 12.6474 k = 0.0709 0.1228 0.2512 ( 4974 PWs) bands (ev): -17.6592 -17.6592 -17.6592 -17.6592 -4.3747 -4.3747 -4.3743 -4.3743 -2.6672 -2.6672 -2.6648 -2.6648 -2.2488 -2.2488 -2.2488 -2.2488 -0.6118 -0.6118 -0.6087 -0.6087 3.9631 3.9631 3.9661 3.9661 4.7373 4.7373 4.7402 4.7402 4.8860 4.8860 4.8902 4.8902 5.9242 5.9242 5.9405 5.9405 6.1674 6.1674 6.1897 6.1897 7.8726 7.8726 7.8783 7.8783 8.6597 8.6597 8.7581 8.7581 9.7309 9.7309 10.0032 10.0032 11.0171 11.0171 11.1870 11.1870 12.0769 12.0769 12.0986 12.0986 12.7014 12.7014 k = 0.0638 0.1106 0.2512 ( 4978 PWs) bands (ev): -17.6599 -17.6599 -17.6599 -17.6599 -4.3733 -4.3733 -4.3730 -4.3730 -2.6685 -2.6685 -2.6668 -2.6668 -2.2408 -2.2408 -2.2408 -2.2408 -0.6182 -0.6182 -0.6159 -0.6159 3.9567 3.9567 3.9588 3.9588 4.7405 4.7405 4.7435 4.7435 4.8774 4.8774 4.8816 4.8816 5.9348 5.9348 5.9491 5.9491 6.1596 6.1596 6.1782 6.1782 7.8510 7.8510 7.8561 7.8561 8.7872 8.7872 8.8796 8.8796 9.7935 9.7935 10.0468 10.0468 10.9324 10.9324 11.0913 11.0913 12.1131 12.1131 12.1370 12.1370 12.7576 12.7579 k = 0.0567 0.0983 0.2512 ( 4970 PWs) bands (ev): -17.6606 -17.6606 -17.6606 -17.6606 -4.3721 -4.3721 -4.3719 -4.3719 -2.6698 -2.6698 -2.6685 -2.6685 -2.2333 -2.2333 -2.2333 -2.2333 -0.6242 -0.6242 -0.6226 -0.6226 3.9509 3.9509 3.9523 3.9523 4.7437 4.7437 4.7465 4.7465 4.8698 4.8698 4.8737 4.8737 5.9458 5.9458 5.9579 5.9579 6.1514 6.1514 6.1665 6.1665 7.8298 7.8298 7.8339 7.8339 8.9177 8.9177 9.0022 9.0022 9.8534 9.8534 10.0853 10.0853 10.8448 10.8448 10.9914 10.9914 12.1485 12.1485 12.1720 12.1720 12.8060 12.8060 k = 0.0496 0.0860 0.2512 ( 4974 PWs) bands (ev): -17.6611 -17.6611 -17.6611 -17.6611 -4.3710 -4.3710 -4.3709 -4.3709 -2.6709 -2.6709 -2.6701 -2.6701 -2.2265 -2.2265 -2.2265 -2.2265 -0.6296 -0.6296 -0.6286 -0.6286 3.9457 3.9457 3.9466 3.9466 4.7468 4.7468 4.7492 4.7492 4.8633 4.8633 4.8666 4.8666 5.9573 5.9573 5.9670 5.9670 6.1429 6.1429 6.1545 6.1545 7.8098 7.8098 7.8128 7.8128 9.0501 9.0501 9.1251 9.1251 9.9099 9.9099 10.1182 10.1182 10.7545 10.7545 10.8875 10.8875 12.1832 12.1832 12.2043 12.2043 12.8530 12.8530 k = 0.0426 0.0737 0.2512 ( 4978 PWs) bands (ev): -17.6616 -17.6616 -17.6616 -17.6616 -4.3701 -4.3701 -4.3700 -4.3700 -2.6720 -2.6720 -2.6714 -2.6714 -2.2204 -2.2204 -2.2203 -2.2203 -0.6345 -0.6345 -0.6339 -0.6339 3.9411 3.9411 3.9417 3.9417 4.7497 4.7497 4.7515 4.7515 4.8577 4.8577 4.8602 4.8602 5.9690 5.9690 5.9763 5.9763 6.1339 6.1339 6.1425 6.1425 7.7915 7.7915 7.7935 7.7935 9.1833 9.1833 9.2477 9.2477 9.9625 9.9625 10.1451 10.1451 10.6615 10.6615 10.7798 10.7798 12.2173 12.2173 12.2344 12.2344 12.8950 12.8950 k = 0.0355 0.0614 0.2512 ( 4986 PWs) bands (ev): -17.6620 -17.6620 -17.6620 -17.6620 -4.3693 -4.3693 -4.3693 -4.3693 -2.6729 -2.6729 -2.6726 -2.6726 -2.2150 -2.2150 -2.2150 -2.2150 -0.6388 -0.6388 -0.6384 -0.6384 3.9372 3.9372 3.9375 3.9375 4.7523 4.7523 4.7536 4.7536 4.8530 4.8530 4.8547 4.8547 5.9807 5.9807 5.9859 5.9859 6.1248 6.1248 6.1307 6.1307 7.7753 7.7753 7.7765 7.7765 9.3164 9.3164 9.3689 9.3689 10.0107 10.0107 10.1655 10.1655 10.5665 10.5665 10.6688 10.6688 12.2500 12.2500 12.2625 12.2625 12.9288 12.9288 k = 0.0284 0.0491 0.2512 ( 4978 PWs) bands (ev): -17.6624 -17.6624 -17.6624 -17.6624 -4.3687 -4.3687 -4.3687 -4.3687 -2.6737 -2.6737 -2.6735 -2.6735 -2.2106 -2.2106 -2.2105 -2.2105 -0.6424 -0.6424 -0.6422 -0.6422 3.9340 3.9340 3.9341 3.9341 4.7545 4.7545 4.7553 4.7553 4.8491 4.8491 4.8501 4.8501 5.9921 5.9921 5.9953 5.9953 6.1156 6.1156 6.1192 6.1192 7.7615 7.7615 7.7622 7.7622 9.4480 9.4480 9.4879 9.4879 10.0538 10.0538 10.1789 10.1789 10.4703 10.4703 10.5556 10.5556 12.2803 12.2803 12.2881 12.2881 12.9525 12.9525 k = 0.0213 0.0369 0.2512 ( 4978 PWs) bands (ev): -17.6627 -17.6627 -17.6627 -17.6627 -4.3682 -4.3682 -4.3682 -4.3682 -2.6743 -2.6743 -2.6743 -2.6743 -2.2070 -2.2070 -2.2070 -2.2070 -0.6452 -0.6452 -0.6452 -0.6452 3.9314 3.9314 3.9315 3.9315 4.7563 4.7563 4.7567 4.7567 4.8461 4.8461 4.8465 4.8465 6.0027 6.0027 6.0044 6.0044 6.1067 6.1067 6.1086 6.1086 7.7505 7.7505 7.7508 7.7508 9.5760 9.5760 9.6027 9.6027 10.0912 10.0912 10.1845 10.1845 10.3752 10.3752 10.4420 10.4420 12.3066 12.3066 12.3105 12.3105 12.9662 12.9662 k = 0.0142 0.0246 0.2512 ( 4986 PWs) bands (ev): -17.6629 -17.6629 -17.6629 -17.6629 -4.3679 -4.3679 -4.3679 -4.3679 -2.6748 -2.6748 -2.6748 -2.6748 -2.2044 -2.2044 -2.2044 -2.2044 -0.6473 -0.6473 -0.6473 -0.6473 3.9296 3.9296 3.9296 3.9296 4.7576 4.7576 4.7577 4.7577 4.8439 4.8439 4.8440 4.8440 6.0119 6.0119 6.0125 6.0125 6.0988 6.0988 6.0995 6.0995 7.7424 7.7424 7.7425 7.7425 9.6960 9.6960 9.7096 9.7096 10.1216 10.1216 10.1799 10.1799 10.2877 10.2877 10.3325 10.3325 12.3271 12.3271 12.3284 12.3284 12.9717 12.9717 k = 0.0071 0.0123 0.2512 ( 4998 PWs) bands (ev): -17.6630 -17.6630 -17.6630 -17.6630 -4.3677 -4.3677 -4.3677 -4.3677 -2.6751 -2.6751 -2.6751 -2.6751 -2.2029 -2.2029 -2.2029 -2.2029 -0.6486 -0.6486 -0.6486 -0.6486 3.9285 3.9285 3.9285 3.9285 4.7584 4.7584 4.7584 4.7584 4.8425 4.8425 4.8425 4.8425 6.0183 6.0183 6.0184 6.0184 6.0930 6.0930 6.0931 6.0931 7.7375 7.7375 7.7375 7.7375 9.7954 9.7954 9.7985 9.7985 10.1406 10.1406 10.1582 10.1582 10.2270 10.2270 10.2414 10.2414 12.3401 12.3401 12.3402 12.3402 12.9719 12.9722 k = 0.0000 0.0000 0.2512 ( 4992 PWs) bands (ev): -17.6630 -17.6630 -17.6630 -17.6630 -4.3676 -4.3676 -4.3676 -4.3676 -2.6752 -2.6752 -2.6752 -2.6752 -2.2024 -2.2024 -2.2024 -2.2024 -0.6490 -0.6490 -0.6490 -0.6490 3.9281 3.9281 3.9281 3.9281 4.7586 4.7586 4.7586 4.7586 4.8420 4.8420 4.8420 4.8420 6.0207 6.0207 6.0207 6.0207 6.0907 6.0907 6.0907 6.0907 7.7359 7.7359 7.7359 7.7359 9.8391 9.8391 9.8391 9.8391 10.1396 10.1396 10.1396 10.1396 10.2075 10.2075 10.2075 10.2075 12.3444 12.3444 12.3444 12.3444 12.9709 12.9709 k = 0.5000 0.2887 0.2512 ( 5012 PWs) bands (ev): -17.6363 -17.6363 -17.6363 -17.6363 -4.4388 -4.4388 -4.4388 -4.4388 -2.6758 -2.6758 -2.6758 -2.6758 -2.3681 -2.3681 -2.3681 -2.3681 -0.4157 -0.4157 -0.4157 -0.4157 4.4054 4.4054 4.4054 4.4054 4.6352 4.6352 4.6352 4.6352 5.0551 5.0551 5.0551 5.0551 5.8484 5.8484 5.8484 5.8484 6.1847 6.1847 6.1847 6.1847 6.2962 6.2962 6.2962 6.2962 8.2515 8.2515 8.2515 8.2515 9.0398 9.0398 9.0398 9.0398 10.7391 10.7391 10.7391 10.7391 12.0621 12.0621 12.0621 12.0621 14.6070 14.6070 k = 0.5000 0.2887 0.2373 ( 5012 PWs) bands (ev): -17.6369 -17.6369 -17.6357 -17.6357 -4.4392 -4.4392 -4.4385 -4.4385 -2.6818 -2.6818 -2.6698 -2.6698 -2.3736 -2.3736 -2.3622 -2.3622 -0.4399 -0.4399 -0.3916 -0.3916 4.3935 4.3935 4.4167 4.4167 4.6287 4.6287 4.6416 4.6416 5.0272 5.0272 5.0837 5.0837 5.8394 5.8394 5.8575 5.8575 6.1732 6.1732 6.1959 6.1959 6.2849 6.2849 6.3083 6.3083 8.2131 8.2131 8.2902 8.2902 9.0148 9.0148 9.0641 9.0641 10.7074 10.7074 10.7663 10.7663 12.0554 12.0554 12.0791 12.0791 14.5578 14.5578 k = 0.5000 0.2887 0.2233 ( 5016 PWs) bands (ev): -17.6375 -17.6375 -17.6351 -17.6351 -4.4397 -4.4397 -4.4383 -4.4383 -2.6879 -2.6879 -2.6640 -2.6640 -2.3785 -2.3785 -2.3560 -2.3560 -0.4640 -0.4640 -0.3679 -0.3679 4.3811 4.3811 4.4275 4.4275 4.6220 4.6220 4.6478 4.6478 5.0004 5.0004 5.1130 5.1130 5.8304 5.8304 5.8666 5.8666 6.1614 6.1614 6.2061 6.2061 6.2750 6.2750 6.3210 6.3210 8.1753 8.1753 8.3290 8.3290 8.9892 8.9892 9.0875 9.0875 10.6720 10.6720 10.7881 10.7881 12.0599 12.0599 12.1053 12.1053 14.5074 14.5074 k = 0.5000 0.2887 0.2093 ( 5002 PWs) bands (ev): -17.6381 -17.6381 -17.6344 -17.6344 -4.4402 -4.4402 -4.4381 -4.4381 -2.6939 -2.6939 -2.6584 -2.6584 -2.3829 -2.3829 -2.3494 -2.3494 -0.4879 -0.4879 -0.3446 -0.3446 4.3683 4.3683 4.4376 4.4376 4.6152 4.6152 4.6538 4.6538 4.9749 4.9749 5.1425 5.1425 5.8215 5.8215 5.8757 5.8757 6.1497 6.1497 6.2143 6.2143 6.2674 6.2674 6.3343 6.3343 8.1384 8.1384 8.3676 8.3676 8.9632 8.9632 9.1098 9.1098 10.6341 10.6341 10.8040 10.8040 12.0761 12.0761 12.1394 12.1394 14.4559 14.4559 k = 0.5000 0.2887 0.1954 ( 5010 PWs) bands (ev): -17.6387 -17.6387 -17.6339 -17.6339 -4.4407 -4.4407 -4.4379 -4.4379 -2.6997 -2.6997 -2.6531 -2.6531 -2.3867 -2.3867 -2.3427 -2.3427 -0.5114 -0.5114 -0.3219 -0.3219 4.3551 4.3551 4.4471 4.4471 4.6083 4.6083 4.6595 4.6595 4.9508 4.9508 5.1719 5.1719 5.8128 5.8128 5.8846 5.8846 6.1381 6.1381 6.2187 6.2187 6.2640 6.2640 6.3479 6.3479 8.1025 8.1025 8.4056 8.4056 8.9371 8.9371 9.1310 9.1310 10.5948 10.5948 10.8141 10.8141 12.1040 12.1040 12.1803 12.1803 14.4030 14.4030 k = 0.5000 0.2887 0.1814 ( 5008 PWs) bands (ev): -17.6393 -17.6393 -17.6333 -17.6333 -4.4413 -4.4413 -4.4378 -4.4378 -2.7054 -2.7054 -2.6482 -2.6482 -2.3899 -2.3899 -2.3359 -2.3359 -0.5343 -0.5343 -0.3001 -0.3001 4.3416 4.3416 4.4561 4.4561 4.6014 4.6014 4.6650 4.6650 4.9284 4.9284 5.2011 5.2011 5.8043 5.8043 5.8935 5.8935 6.1266 6.1266 6.2179 6.2179 6.2661 6.2661 6.3617 6.3617 8.0680 8.0680 8.4429 8.4429 8.9110 8.9110 9.1510 9.1510 10.5549 10.5549 10.8186 10.8186 12.1429 12.1429 12.2267 12.2267 14.3485 14.3485 k = 0.5000 0.2887 0.1675 ( 4994 PWs) bands (ev): -17.6398 -17.6398 -17.6327 -17.6327 -4.4419 -4.4419 -4.4378 -4.4378 -2.7108 -2.7108 -2.6436 -2.6436 -2.3923 -2.3923 -2.3291 -2.3291 -0.5565 -0.5565 -0.2792 -0.2792 4.3281 4.3281 4.4644 4.4644 4.5946 4.5946 4.6702 4.6702 4.9076 4.9076 5.2296 5.2296 5.7961 5.7961 5.9021 5.9021 6.1153 6.1153 6.2131 6.2131 6.2724 6.2724 6.3756 6.3756 8.0349 8.0349 8.4790 8.4790 8.8853 8.8853 9.1697 9.1697 10.5153 10.5153 10.8182 10.8182 12.1918 12.1918 12.2777 12.2777 14.2919 14.2919 k = 0.5000 0.2887 0.1535 ( 5002 PWs) bands (ev): -17.6403 -17.6403 -17.6322 -17.6322 -4.4425 -4.4425 -4.4378 -4.4378 -2.7160 -2.7160 -2.6396 -2.6396 -2.3942 -2.3942 -2.3225 -2.3225 -0.5777 -0.5777 -0.2593 -0.2593 4.3147 4.3147 4.4721 4.4721 4.5878 4.5878 4.6751 4.6751 4.8887 4.8887 5.2573 5.2573 5.7882 5.7882 5.9106 5.9106 6.1044 6.1044 6.2066 6.2066 6.2805 6.2805 6.3896 6.3896 8.0037 8.0037 8.5138 8.5138 8.8601 8.8601 9.1870 9.1870 10.4767 10.4767 10.8140 10.8140 12.2489 12.2489 12.3326 12.3326 14.2329 14.2329 k = 0.5000 0.2887 0.1396 ( 5004 PWs) bands (ev): -17.6408 -17.6408 -17.6317 -17.6317 -4.4431 -4.4431 -4.4378 -4.4378 -2.7208 -2.7208 -2.6360 -2.6360 -2.3954 -2.3954 -2.3160 -2.3160 -0.5978 -0.5978 -0.2407 -0.2407 4.3015 4.3015 4.4792 4.4792 4.5812 4.5812 4.6797 4.6797 4.8715 4.8715 5.2837 5.2837 5.7806 5.7806 5.9189 5.9189 6.0937 6.0937 6.1996 6.1996 6.2891 6.2891 6.4034 6.4034 7.9744 7.9744 8.5468 8.5468 8.8359 8.8359 9.2028 9.2028 10.4398 10.4398 10.8068 10.8068 12.3117 12.3117 12.3917 12.3917 14.1708 14.1708 k = 0.5000 0.2887 0.1256 ( 4996 PWs) bands (ev): -17.6413 -17.6413 -17.6313 -17.6313 -4.4437 -4.4437 -4.4379 -4.4379 -2.7253 -2.7253 -2.6329 -2.6329 -2.3961 -2.3961 -2.3098 -2.3098 -0.6166 -0.6166 -0.2234 -0.2234 4.2888 4.2888 4.4858 4.4858 4.5748 4.5748 4.6840 4.6840 4.8560 4.8560 5.3087 5.3087 5.7735 5.7735 5.9269 5.9269 6.0835 6.0835 6.1928 6.1928 6.2975 6.2975 6.4169 6.4169 7.9472 7.9472 8.5778 8.5778 8.8128 8.8128 9.2172 9.2172 10.4050 10.4050 10.7977 10.7977 12.3765 12.3765 12.4561 12.4561 14.1053 14.1053 k = 0.5000 0.2887 0.1116 ( 4996 PWs) bands (ev): -17.6417 -17.6417 -17.6308 -17.6308 -4.4443 -4.4443 -4.4380 -4.4380 -2.7293 -2.7293 -2.6302 -2.6302 -2.3963 -2.3963 -2.3040 -2.3040 -0.6339 -0.6339 -0.2076 -0.2076 4.2767 4.2767 4.4919 4.4919 4.5686 4.5686 4.6879 4.6879 4.8424 4.8424 5.3319 5.3319 5.7668 5.7668 5.9346 5.9346 6.0736 6.0736 6.1864 6.1864 6.3055 6.3055 6.4298 6.4298 7.9224 7.9224 8.6065 8.6065 8.7911 8.7911 9.2301 9.2301 10.3729 10.3729 10.7874 10.7874 12.4388 12.4388 12.5280 12.5280 14.0359 14.0359 k = 0.5000 0.2887 0.0977 ( 4980 PWs) bands (ev): -17.6421 -17.6421 -17.6305 -17.6305 -4.4449 -4.4449 -4.4381 -4.4381 -2.7330 -2.7330 -2.6280 -2.6280 -2.3962 -2.3962 -2.2986 -2.2986 -0.6497 -0.6497 -0.1934 -0.1934 4.2654 4.2654 4.4975 4.4975 4.5628 4.5628 4.6915 4.6915 4.8305 4.8305 5.3531 5.3531 5.7607 5.7607 5.9420 5.9420 6.0642 6.0642 6.1805 6.1805 6.3128 6.3128 6.4420 6.4420 7.9000 7.9000 8.6326 8.6326 8.7712 8.7712 9.2416 9.2416 10.3437 10.3437 10.7768 10.7768 12.4953 12.4953 12.6084 12.6084 13.9622 13.9622 k = 0.5000 0.2887 0.0837 ( 4984 PWs) bands (ev): -17.6424 -17.6424 -17.6301 -17.6301 -4.4454 -4.4454 -4.4382 -4.4382 -2.7362 -2.7362 -2.6262 -2.6262 -2.3958 -2.3958 -2.2938 -2.2938 -0.6637 -0.6637 -0.1808 -0.1808 4.2552 4.2552 4.5026 4.5026 4.5572 4.5572 4.6947 4.6947 4.8202 4.8202 5.3722 5.3722 5.7552 5.7552 5.9491 5.9491 6.0554 6.0554 6.1754 6.1754 6.3193 6.3193 6.4533 6.4533 7.8803 7.8803 8.6558 8.6558 8.7532 8.7532 9.2515 9.2515 10.3178 10.3178 10.7665 10.7665 12.5454 12.5454 12.6957 12.6957 13.8844 13.8844 k = 0.5000 0.2887 0.0698 ( 4984 PWs) bands (ev): -17.6427 -17.6427 -17.6299 -17.6299 -4.4458 -4.4458 -4.4383 -4.4383 -2.7389 -2.7389 -2.6248 -2.6248 -2.3952 -2.3952 -2.2896 -2.2896 -0.6757 -0.6757 -0.1701 -0.1701 4.2463 4.2463 4.5073 4.5073 4.5521 4.5521 4.6975 4.6975 4.8116 4.8116 5.3887 5.3887 5.7503 5.7503 5.9558 5.9558 6.0471 6.0471 6.1709 6.1709 6.3249 6.3249 6.4633 6.4633 7.8634 7.8634 8.6758 8.6758 8.7376 8.7376 9.2599 9.2599 10.2955 10.2955 10.7570 10.7570 12.5888 12.5888 12.7876 12.7876 13.8026 13.8026 k = 0.5000 0.2887 0.0558 ( 4976 PWs) bands (ev): -17.6429 -17.6429 -17.6296 -17.6296 -4.4462 -4.4462 -4.4384 -4.4384 -2.7412 -2.7412 -2.6237 -2.6237 -2.3945 -2.3945 -2.2861 -2.2861 -0.6858 -0.6858 -0.1611 -0.1611 4.2387 4.2387 4.5117 4.5117 4.5473 4.5473 4.6999 4.6999 4.8046 4.8046 5.4026 5.4026 5.7461 5.7461 5.9619 5.9619 6.0396 6.0396 6.1673 6.1673 6.3296 6.3296 6.4718 6.4718 7.8494 7.8494 8.6924 8.6924 8.7247 8.7247 9.2668 9.2668 10.2770 10.2770 10.7488 10.7488 12.6254 12.6254 12.8821 12.8821 13.7175 13.7175 k = 0.5000 0.2887 0.0419 ( 4972 PWs) bands (ev): -17.6431 -17.6431 -17.6294 -17.6294 -4.4465 -4.4465 -4.4385 -4.4385 -2.7429 -2.7429 -2.6229 -2.6229 -2.3939 -2.3939 -2.2833 -2.2833 -0.6937 -0.6937 -0.1541 -0.1541 4.2327 4.2327 4.5157 4.5157 4.5429 4.5429 4.7018 4.7018 4.7991 4.7991 5.4137 5.4137 5.7428 5.7428 5.9675 5.9675 6.0330 6.0330 6.1644 6.1644 6.3332 6.3332 6.4787 6.4787 7.8383 7.8383 8.7042 8.7042 8.7156 8.7156 9.2721 9.2721 10.2624 10.2624 10.7420 10.7420 12.6547 12.6547 12.9769 12.9769 13.6307 13.6307 k = 0.5000 0.2887 0.0279 ( 4976 PWs) bands (ev): -17.6432 -17.6432 -17.6293 -17.6293 -4.4467 -4.4467 -4.4386 -4.4386 -2.7442 -2.7442 -2.6224 -2.6224 -2.3934 -2.3934 -2.2812 -2.2812 -0.6994 -0.6994 -0.1491 -0.1491 4.2283 4.2283 4.5192 4.5192 4.5390 4.5390 4.7032 4.7032 4.7952 4.7952 5.4217 5.4217 5.7404 5.7404 5.9720 5.9720 6.0277 6.0277 6.1623 6.1623 6.3359 6.3359 6.4838 6.4838 7.8304 7.8304 8.7043 8.7043 8.7174 8.7174 9.2760 9.2760 10.2518 10.2518 10.7371 10.7371 12.6761 12.6761 13.0681 13.0681 13.5454 13.5454 k = 0.5000 0.2887 0.0140 ( 4980 PWs) bands (ev): -17.6433 -17.6433 -17.6292 -17.6292 -4.4469 -4.4469 -4.4386 -4.4386 -2.7450 -2.7450 -2.6221 -2.6221 -2.3931 -2.3931 -2.2800 -2.2800 -0.7029 -0.7029 -0.1461 -0.1461 4.2256 4.2256 4.5221 4.5221 4.5359 4.5359 4.7041 4.7041 4.7928 4.7928 5.4265 5.4265 5.7389 5.7389 5.9752 5.9752 6.0240 6.0240 6.1610 6.1610 6.3375 6.3375 6.4869 6.4869 7.8256 7.8256 8.7004 8.7004 8.7225 8.7225 9.2783 9.2783 10.2455 10.2455 10.7340 10.7340 12.6891 12.6891 13.1462 13.1462 13.4709 13.4709 k = 0.5000 0.2887-0.0000 ( 4980 PWs) bands (ev): -17.6434 -17.6434 -17.6292 -17.6292 -4.4469 -4.4469 -4.4386 -4.4386 -2.7452 -2.7452 -2.6220 -2.6220 -2.3930 -2.3930 -2.2796 -2.2796 -0.7041 -0.7041 -0.1450 -0.1450 4.2247 4.2247 4.5234 4.5234 4.5346 4.5346 4.7044 4.7044 4.7921 4.7921 5.4282 5.4282 5.7384 5.7384 5.9763 5.9763 6.0227 6.0227 6.1606 6.1606 6.3380 6.3380 6.4880 6.4880 7.8240 7.8240 8.6990 8.6990 8.7243 8.7243 9.2790 9.2790 10.2434 10.2434 10.7330 10.7330 12.6935 12.6935 13.1825 13.1825 13.4359 13.4359 k = 0.3333 0.5774-0.0000 ( 4989 PWs) bands (ev): -17.6398 -17.6398 -17.6261 -17.6261 -4.4462 -4.4462 -4.4428 -4.4428 -2.7216 -2.7216 -2.5530 -2.5530 -2.4903 -2.4903 -2.3921 -2.3921 -0.4055 -0.4055 -0.3237 -0.3237 4.3083 4.3083 4.3380 4.3380 4.4804 4.4804 4.9742 4.9742 5.1081 5.1081 5.1564 5.1564 5.7629 5.7629 5.8721 5.8721 6.2069 6.2069 6.3051 6.3051 6.4063 6.4063 6.5586 6.5586 6.7877 6.7877 7.8595 7.8595 9.0049 9.0049 9.0691 9.0691 11.3426 11.3426 11.3702 11.3702 12.5204 12.5204 12.6164 12.6164 13.6368 13.6368 k = 0.3333 0.5774 0.0140 ( 4995 PWs) bands (ev): -17.6397 -17.6397 -17.6261 -17.6261 -4.4462 -4.4462 -4.4427 -4.4427 -2.7213 -2.7213 -2.5527 -2.5527 -2.4907 -2.4907 -2.3924 -2.3924 -0.4055 -0.4055 -0.3235 -0.3235 4.3078 4.3078 4.3378 4.3378 4.4805 4.4805 4.9746 4.9746 5.1081 5.1081 5.1562 5.1562 5.7631 5.7631 5.8721 5.8721 6.2071 6.2071 6.3050 6.3050 6.4043 6.4043 6.5628 6.5628 6.7874 6.7874 7.8570 7.8570 9.0054 9.0054 9.0698 9.0698 11.3389 11.3389 11.3666 11.3666 12.5251 12.5251 12.6210 12.6210 13.6386 13.6386 k = 0.3333 0.5774 0.0279 ( 4992 PWs) bands (ev): -17.6397 -17.6397 -17.6262 -17.6262 -4.4463 -4.4463 -4.4426 -4.4426 -2.7204 -2.7204 -2.5521 -2.5521 -2.4919 -2.4919 -2.3935 -2.3935 -0.4054 -0.4054 -0.3231 -0.3231 4.3066 4.3066 4.3372 4.3372 4.4808 4.4808 4.9757 4.9757 5.1082 5.1082 5.1557 5.1557 5.7639 5.7639 5.8723 5.8723 6.2076 6.2076 6.3044 6.3044 6.3988 6.3988 6.5746 6.5746 6.7867 6.7867 7.8497 7.8497 9.0070 9.0070 9.0720 9.0720 11.3279 11.3279 11.3560 11.3560 12.5390 12.5390 12.6346 12.6346 13.6442 13.6442 k = 0.3333 0.5774 0.0419 ( 5001 PWs) bands (ev): -17.6395 -17.6395 -17.6263 -17.6263 -4.4463 -4.4463 -4.4423 -4.4423 -2.7188 -2.7188 -2.5509 -2.5509 -2.4939 -2.4939 -2.3952 -2.3952 -0.4052 -0.4052 -0.3225 -0.3225 4.3045 4.3045 4.3364 4.3364 4.4812 4.4812 4.9775 4.9775 5.1082 5.1082 5.1548 5.1548 5.7653 5.7653 5.8725 5.8725 6.2086 6.2086 6.3036 6.3036 6.3912 6.3912 6.5928 6.5928 6.7854 6.7854 7.8377 7.8377 9.0095 9.0095 9.0757 9.0757 11.3102 11.3102 11.3391 11.3391 12.5613 12.5613 12.6567 12.6567 13.6534 13.6534 k = 0.3333 0.5774 0.0558 ( 5001 PWs) bands (ev): -17.6394 -17.6394 -17.6265 -17.6265 -4.4464 -4.4464 -4.4419 -4.4419 -2.7166 -2.7166 -2.5493 -2.5493 -2.4966 -2.4966 -2.3976 -2.3976 -0.4050 -0.4050 -0.3216 -0.3216 4.3018 4.3018 4.3352 4.3352 4.4819 4.4819 4.9799 4.9799 5.1083 5.1083 5.1535 5.1535 5.7671 5.7671 5.8728 5.8728 6.2099 6.2099 6.3025 6.3025 6.3826 6.3826 6.6161 6.6161 6.7837 6.7837 7.8210 7.8210 9.0129 9.0129 9.0806 9.0806 11.2869 11.2869 11.3169 11.3169 12.5914 12.5914 12.6864 12.6864 13.6663 13.6663 k = 0.3333 0.5774 0.0698 ( 4995 PWs) bands (ev): -17.6391 -17.6391 -17.6267 -17.6267 -4.4465 -4.4465 -4.4415 -4.4415 -2.7138 -2.7138 -2.5472 -2.5472 -2.5000 -2.5000 -2.4006 -2.4006 -0.4047 -0.4047 -0.3205 -0.3205 4.2984 4.2984 4.3337 4.3337 4.4826 4.4826 4.9828 4.9828 5.1085 5.1085 5.1519 5.1519 5.7693 5.7693 5.8731 5.8731 6.2115 6.2115 6.3011 6.3011 6.3739 6.3739 6.6435 6.6435 6.7816 6.7816 7.7998 7.7998 9.0171 9.0171 9.0868 9.0868 11.2591 11.2591 11.2906 11.2906 12.6281 12.6281 12.7229 12.7229 13.6829 13.6829 k = 0.3333 0.5774 0.0837 ( 5007 PWs) bands (ev): -17.6389 -17.6389 -17.6270 -17.6270 -4.4466 -4.4466 -4.4410 -4.4410 -2.7105 -2.7105 -2.5447 -2.5447 -2.5040 -2.5040 -2.4042 -2.4042 -0.4044 -0.4044 -0.3193 -0.3193 4.2946 4.2946 4.3321 4.3321 4.4834 4.4834 4.9862 4.9862 5.1087 5.1087 5.1501 5.1501 5.7718 5.7718 5.8735 5.8735 6.2134 6.2134 6.2996 6.2996 6.3655 6.3655 6.6745 6.6745 6.7792 6.7792 7.7743 7.7743 9.0220 9.0220 9.0941 9.0941 11.2280 11.2280 11.2613 11.2613 12.6704 12.6704 12.7652 12.7652 13.7031 13.7031 k = 0.3333 0.5774 0.0977 ( 5010 PWs) bands (ev): -17.6385 -17.6385 -17.6273 -17.6273 -4.4467 -4.4467 -4.4405 -4.4405 -2.7067 -2.7067 -2.5418 -2.5418 -2.5087 -2.5087 -2.4083 -2.4083 -0.4041 -0.4041 -0.3179 -0.3179 4.2903 4.2903 4.3302 4.3302 4.4844 4.4844 4.9899 4.9899 5.1090 5.1090 5.1480 5.1480 5.7746 5.7746 5.8739 5.8739 6.2156 6.2156 6.2979 6.2979 6.3577 6.3577 6.7087 6.7087 6.7765 6.7765 7.7448 7.7448 9.0276 9.0276 9.1022 9.1022 11.1947 11.1947 11.2303 11.2303 12.7175 12.7175 12.8124 12.8124 13.7269 13.7269 k = 0.3333 0.5774 0.1116 ( 4992 PWs) bands (ev): -17.6382 -17.6382 -17.6277 -17.6277 -4.4467 -4.4467 -4.4400 -4.4400 -2.7024 -2.7024 -2.5385 -2.5385 -2.5138 -2.5138 -2.4129 -2.4129 -0.4037 -0.4037 -0.3164 -0.3164 4.2859 4.2859 4.3283 4.3283 4.4853 4.4853 4.9937 4.9937 5.1093 5.1093 5.1458 5.1458 5.7776 5.7776 5.8744 5.8744 6.2179 6.2179 6.2960 6.2960 6.3506 6.3506 6.7457 6.7457 6.7735 6.7735 7.7115 7.7115 9.0335 9.0335 9.1110 9.1110 11.1605 11.1605 11.1987 11.1987 12.7684 12.7684 12.8637 12.8637 13.7543 13.7543 k = 0.3333 0.5774 0.1256 ( 5007 PWs) bands (ev): -17.6378 -17.6378 -17.6281 -17.6281 -4.4467 -4.4467 -4.4395 -4.4395 -2.6977 -2.6977 -2.5348 -2.5348 -2.5194 -2.5194 -2.4180 -2.4180 -0.4033 -0.4033 -0.3149 -0.3149 4.2813 4.2813 4.3264 4.3264 4.4863 4.4863 4.9976 4.9976 5.1098 5.1098 5.1434 5.1434 5.7807 5.7807 5.8748 5.8748 6.2203 6.2203 6.2942 6.2942 6.3442 6.3442 6.7705 6.7705 6.7852 6.7852 7.6747 7.6747 9.0397 9.0397 9.1202 9.1202 11.1264 11.1264 11.1674 11.1674 12.8224 12.8224 12.9184 12.9184 13.7852 13.7852 k = 0.3333 0.5774 0.1396 ( 4995 PWs) bands (ev): -17.6373 -17.6373 -17.6285 -17.6285 -4.4467 -4.4467 -4.4390 -4.4390 -2.6928 -2.6928 -2.5307 -2.5307 -2.5252 -2.5252 -2.4234 -2.4234 -0.4030 -0.4030 -0.3133 -0.3133 4.2769 4.2769 4.3245 4.3245 4.4872 4.4872 5.0015 5.0015 5.1104 5.1104 5.1409 5.1409 5.7838 5.7838 5.8752 5.8752 6.2228 6.2228 6.2924 6.2924 6.3385 6.3385 6.7674 6.7674 6.8271 6.8271 7.6349 7.6349 9.0459 9.0459 9.1295 9.1295 11.0932 11.0932 11.1372 11.1372 12.8787 12.8787 12.9760 12.9760 13.8195 13.8195 k = 0.3333 0.5774 0.1535 ( 4986 PWs) bands (ev): -17.6369 -17.6369 -17.6290 -17.6290 -4.4467 -4.4467 -4.4386 -4.4386 -2.6876 -2.6876 -2.5313 -2.5313 -2.5263 -2.5263 -2.4291 -2.4291 -0.4026 -0.4026 -0.3119 -0.3119 4.2725 4.2725 4.3226 4.3226 4.4881 4.4881 5.0052 5.0052 5.1111 5.1111 5.1384 5.1384 5.7868 5.7868 5.8756 5.8756 6.2252 6.2252 6.2908 6.2908 6.3336 6.3336 6.7643 6.7643 6.8710 6.8710 7.5924 7.5924 9.0520 9.0520 9.1387 9.1387 11.0619 11.0619 11.1089 11.1089 12.9367 12.9367 13.0357 13.0357 13.8572 13.8572 k = 0.3333 0.5774 0.1675 ( 4992 PWs) bands (ev): -17.6364 -17.6364 -17.6295 -17.6295 -4.4467 -4.4467 -4.4382 -4.4382 -2.6824 -2.6824 -2.5373 -2.5373 -2.5216 -2.5216 -2.4350 -2.4350 -0.4022 -0.4022 -0.3105 -0.3105 4.2685 4.2685 4.3209 4.3209 4.4889 4.4889 5.0086 5.0086 5.1120 5.1120 5.1358 5.1358 5.7896 5.7896 5.8759 5.8759 6.2275 6.2275 6.2893 6.2893 6.3293 6.3293 6.7615 6.7615 6.9166 6.9166 7.5477 7.5477 9.0578 9.0578 9.1475 9.1475 11.0331 11.0331 11.0831 11.0831 12.9955 12.9955 13.0970 13.0970 13.8979 13.8979 k = 0.3333 0.5774 0.1814 ( 4992 PWs) bands (ev): -17.6358 -17.6358 -17.6300 -17.6300 -4.4467 -4.4467 -4.4378 -4.4378 -2.6772 -2.6772 -2.5432 -2.5432 -2.5168 -2.5168 -2.4410 -2.4410 -0.4019 -0.4019 -0.3092 -0.3092 4.2650 4.2650 4.3194 4.3194 4.4896 4.4896 5.0117 5.0117 5.1130 5.1130 5.1333 5.1333 5.7921 5.7921 5.8762 5.8762 6.2297 6.2297 6.2879 6.2879 6.3257 6.3257 6.7588 6.7588 6.9637 6.9637 7.5011 7.5011 9.0631 9.0631 9.1556 9.1556 11.0076 11.0076 11.0604 11.0604 13.0540 13.0540 13.1590 13.1590 13.9409 13.9409 k = 0.3333 0.5774 0.1954 ( 5010 PWs) bands (ev): -17.6353 -17.6353 -17.6306 -17.6306 -4.4466 -4.4466 -4.4375 -4.4375 -2.6724 -2.6724 -2.5486 -2.5486 -2.5119 -2.5119 -2.4468 -2.4468 -0.4017 -0.4017 -0.3081 -0.3081 4.2619 4.2619 4.3181 4.3181 4.4902 4.4902 5.0143 5.0143 5.1141 5.1141 5.1309 5.1309 5.7943 5.7943 5.8765 5.8765 6.2315 6.2315 6.2868 6.2868 6.3228 6.3228 6.7565 6.7565 7.0115 7.0115 7.4535 7.4535 9.0677 9.0677 9.1626 9.1626 10.9859 10.9859 11.0412 11.0412 13.1106 13.1106 13.2204 13.2204 13.9776 13.9837 k = 0.3333 0.5774 0.2093 ( 5019 PWs) bands (ev): -17.6347 -17.6347 -17.6312 -17.6312 -4.4466 -4.4466 -4.4372 -4.4372 -2.6682 -2.6682 -2.5534 -2.5534 -2.5071 -2.5071 -2.4523 -2.4523 -0.4014 -0.4014 -0.3073 -0.3073 4.2594 4.2594 4.3170 4.3170 4.4907 4.4907 5.0164 5.0164 5.1153 5.1153 5.1286 5.1286 5.7961 5.7961 5.8767 5.8767 6.2331 6.2331 6.2860 6.2860 6.3205 6.3205 6.7546 6.7546 7.0593 7.0593 7.4058 7.4058 9.0715 9.0715 9.1684 9.1684 10.9685 10.9685 11.0258 11.0258 13.1629 13.1629 13.2790 13.2790 13.9263 13.9263 k = 0.3333 0.5774 0.2233 ( 5019 PWs) bands (ev): -17.6341 -17.6341 -17.6317 -17.6317 -4.4466 -4.4466 -4.4370 -4.4370 -2.6648 -2.6648 -2.5571 -2.5571 -2.5029 -2.5029 -2.4571 -2.4571 -0.4013 -0.4013 -0.3066 -0.3066 4.2576 4.2576 4.3162 4.3162 4.4911 4.4911 5.0180 5.0180 5.1166 5.1166 5.1266 5.1266 5.7974 5.7974 5.8768 5.8768 6.2342 6.2342 6.2854 6.2854 6.3188 6.3188 6.7532 6.7532 7.1053 7.1053 7.3599 7.3599 9.0742 9.0742 9.1727 9.1727 10.9558 10.9558 11.0147 11.0147 13.2070 13.2070 13.3308 13.3308 13.8724 13.8724 k = 0.3333 0.5774 0.2373 ( 5016 PWs) bands (ev): -17.6335 -17.6335 -17.6323 -17.6323 -4.4466 -4.4466 -4.4369 -4.4369 -2.6626 -2.6626 -2.5595 -2.5595 -2.4998 -2.4998 -2.4605 -2.4605 -0.4012 -0.4012 -0.3062 -0.3062 4.2565 4.2565 4.3157 4.3157 4.4913 4.4913 5.0189 5.0189 5.1177 5.1177 5.1250 5.1250 5.7982 5.7982 5.8769 5.8769 6.2349 6.2349 6.2850 6.2850 6.3178 6.3178 6.7524 6.7524 7.1444 7.1444 7.3207 7.3207 9.0760 9.0760 9.1753 9.1753 10.9481 10.9481 11.0079 11.0079 13.2374 13.2374 13.3687 13.3687 13.8282 13.8282 k = 0.3333 0.5774 0.2512 ( 5016 PWs) bands (ev): -17.6330 -17.6330 -17.6329 -17.6329 -4.4466 -4.4466 -4.4369 -4.4369 -2.6619 -2.6619 -2.5603 -2.5603 -2.4987 -2.4987 -2.4618 -2.4618 -0.4012 -0.4012 -0.3061 -0.3061 4.2561 4.2561 4.3156 4.3156 4.4914 4.4914 5.0192 5.0192 5.1183 5.1183 5.1243 5.1243 5.7985 5.7985 5.8769 5.8769 6.2351 6.2351 6.2849 6.2849 6.3175 6.3175 6.7521 6.7521 7.1623 7.1623 7.3029 7.3029 9.0765 9.0765 9.1762 9.1762 10.9455 10.9455 11.0056 11.0056 13.2484 13.2484 13.3831 13.3831 13.8128 13.8228 Writing output data file BaAsAu.save init_run : 0.54s CPU 0.70s WALL ( 1 calls) electrons : 262.96s CPU 266.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 262.96s CPU 266.52s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.07s WALL ( 285 calls) cegterg : 248.96s CPU 251.93s WALL ( 722 calls) Called by sum_band: Called by *egterg: h_psi : 116.09s CPU 118.20s WALL ( 12528 calls) s_psi : 10.09s CPU 10.07s WALL ( 12528 calls) g_psi : 0.39s CPU 0.40s WALL ( 11521 calls) cdiaghg : 99.48s CPU 100.63s WALL ( 11806 calls) cegterg:over : 12.13s CPU 11.91s WALL ( 11521 calls) cegterg:upda : 11.03s CPU 11.12s WALL ( 11521 calls) cegterg:last : 5.03s CPU 5.06s WALL ( 1577 calls) cdiaghg:chol : 5.63s CPU 5.73s WALL ( 11806 calls) cdiaghg:inve : 3.87s CPU 3.97s WALL ( 11806 calls) cdiaghg:para : 6.28s CPU 6.18s WALL ( 23612 calls) Called by h_psi: h_psi:vloc : 94.03s CPU 95.77s WALL ( 12528 calls) h_psi:vnl : 21.67s CPU 22.00s WALL ( 12528 calls) add_vuspsi : 11.28s CPU 11.37s WALL ( 12528 calls) General routines calbec : 10.36s CPU 10.60s WALL ( 12528 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.53s CPU 84.23s WALL ( 1170880 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.25s WALL ( 570 calls) Parallel routines fft_scatter : 33.07s CPU 34.00s WALL ( 1170903 calls) PWSCF : 4m41.70s CPU 4m57.66s WALL This run was terminated on: 20:38: 5 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=