Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:35:21 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: ./AuSe.save/ 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 49 19 5 2187 539 87 Max 50 20 6 2194 550 92 Sum 1777 703 211 78811 19633 3221 bravais-lattice index = 14 lattice parameter (alat) = 7.7857 a.u. unit-cell volume = 534.7002 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 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)= 7.785671 celldm(2)= 1.000000 celldm(3)= 1.308252 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 1.308252 ) 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 0.764378 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Se 6.00 78.96000 Se( 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 ) ( -0.6541262 ) 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 ) ( 0.6541262 ) 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 ) ( -0.6541262 ) 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 ) ( -0.6541262 ) 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 ) ( 0.6541262 ) 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 ) ( 0.6541262 ) 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 ) ( 0.6541262 ) 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 ) ( -0.6541262 ) 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 ) ( 0.6541262 ) 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 ) ( 0.6541262 ) 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 ) ( -0.6541262 ) 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 ) ( -0.6541262 ) 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= 343 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0029155 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0029155 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0029155 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0029155 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0029155 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0029155 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0029155 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0029155 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0029155 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0029155 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0029155 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0029155 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0029155 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0029155 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0029155 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0029155 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0029155 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0029155 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0029155 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0029155 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0029155 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0029155 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0029155 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0029155 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0029155 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0029155 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0029155 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0029155 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0029155 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0029155 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0029155 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0029155 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0029155 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0029155 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0029155 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0029155 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0029155 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0029155 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0029155 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0029155 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0029155 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0029155 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0029155 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0029155 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0029155 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0029155 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0029155 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0029155 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0029155 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0029155 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0029155 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0029155 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0029155 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0029155 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0029155 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0029155 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029155 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0029155 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0029155 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0029155 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0029155 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0029155 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0029155 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0029155 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0029155 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0029155 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0029155 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0029155 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0029155 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 75) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0029155 k( 76) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0029155 k( 77) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0029155 k( 78) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0029155 k( 79) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0029155 k( 80) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0029155 k( 81) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0029155 k( 82) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0029155 k( 83) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0029155 k( 84) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0029155 k( 85) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0029155 k( 86) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0029155 k( 87) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0029155 k( 88) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0029155 k( 89) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0029155 k( 90) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0029155 k( 91) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029155 k( 92) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0029155 k( 93) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0029155 k( 94) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0029155 k( 95) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0029155 k( 96) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0029155 k( 97) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0029155 k( 98) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0029155 k( 99) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0029155 k( 100) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0029155 k( 101) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0029155 k( 102) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0029155 k( 103) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0029155 k( 104) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0029155 k( 105) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0029155 k( 106) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0029155 k( 107) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0029155 k( 108) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029155 k( 109) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0029155 k( 110) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0029155 k( 111) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0029155 k( 112) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0029155 k( 113) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0029155 k( 114) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0029155 k( 115) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0029155 k( 116) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0029155 k( 117) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0029155 k( 118) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0029155 k( 119) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0029155 k( 120) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0029155 k( 121) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0029155 k( 122) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0029155 k( 123) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0029155 k( 124) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0029155 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 127) = ( 0.0000000 0.0000000 0.0127396), wk = 0.0029155 k( 128) = ( 0.0000000 0.0000000 0.0254793), wk = 0.0029155 k( 129) = ( 0.0000000 0.0000000 0.0382189), wk = 0.0029155 k( 130) = ( 0.0000000 0.0000000 0.0509586), wk = 0.0029155 k( 131) = ( 0.0000000 0.0000000 0.0636982), wk = 0.0029155 k( 132) = ( 0.0000000 0.0000000 0.0764378), wk = 0.0029155 k( 133) = ( 0.0000000 0.0000000 0.0891775), wk = 0.0029155 k( 134) = ( 0.0000000 0.0000000 0.1019171), wk = 0.0029155 k( 135) = ( 0.0000000 0.0000000 0.1146568), wk = 0.0029155 k( 136) = ( 0.0000000 0.0000000 0.1273964), wk = 0.0029155 k( 137) = ( 0.0000000 0.0000000 0.1401361), wk = 0.0029155 k( 138) = ( 0.0000000 0.0000000 0.1528757), wk = 0.0029155 k( 139) = ( 0.0000000 0.0000000 0.1656153), wk = 0.0029155 k( 140) = ( 0.0000000 0.0000000 0.1783550), wk = 0.0029155 k( 141) = ( 0.0000000 0.0000000 0.1910946), wk = 0.0029155 k( 142) = ( 0.0000000 0.0000000 0.2038343), wk = 0.0029155 k( 143) = ( 0.0000000 0.0000000 0.2165739), wk = 0.0029155 k( 144) = ( 0.0000000 0.0000000 0.2293135), wk = 0.0029155 k( 145) = ( 0.0000000 0.0000000 0.2420532), wk = 0.0029155 k( 146) = ( 0.0000000 0.0000000 0.2547928), wk = 0.0029155 k( 147) = ( 0.0000000 0.0000000 0.2675325), wk = 0.0029155 k( 148) = ( 0.0000000 0.0000000 0.2802721), wk = 0.0029155 k( 149) = ( 0.0000000 0.0000000 0.2930117), wk = 0.0029155 k( 150) = ( 0.0000000 0.0000000 0.3057514), wk = 0.0029155 k( 151) = ( 0.0000000 0.0000000 0.3184910), wk = 0.0029155 k( 152) = ( 0.0000000 0.0000000 0.3312307), wk = 0.0029155 k( 153) = ( 0.0000000 0.0000000 0.3439703), wk = 0.0029155 k( 154) = ( 0.0000000 0.0000000 0.3567100), wk = 0.0029155 k( 155) = ( 0.0000000 0.0000000 0.3694496), wk = 0.0029155 k( 156) = ( 0.0000000 0.0000000 0.3821892), wk = 0.0029155 k( 157) = ( 0.0000000 0.0000000 0.3821892), wk = 0.0029155 k( 158) = ( 0.0111111 0.0064150 0.3821892), wk = 0.0029155 k( 159) = ( 0.0222222 0.0128300 0.3821892), wk = 0.0029155 k( 160) = ( 0.0333333 0.0192450 0.3821892), wk = 0.0029155 k( 161) = ( 0.0444444 0.0256600 0.3821892), wk = 0.0029155 k( 162) = ( 0.0555556 0.0320750 0.3821892), wk = 0.0029155 k( 163) = ( 0.0666667 0.0384900 0.3821892), wk = 0.0029155 k( 164) = ( 0.0777778 0.0449050 0.3821892), wk = 0.0029155 k( 165) = ( 0.0888889 0.0513200 0.3821892), wk = 0.0029155 k( 166) = ( 0.1000000 0.0577350 0.3821892), wk = 0.0029155 k( 167) = ( 0.1111111 0.0641500 0.3821892), wk = 0.0029155 k( 168) = ( 0.1222222 0.0705650 0.3821892), wk = 0.0029155 k( 169) = ( 0.1333333 0.0769800 0.3821892), wk = 0.0029155 k( 170) = ( 0.1444444 0.0833950 0.3821892), wk = 0.0029155 k( 171) = ( 0.1555556 0.0898100 0.3821892), wk = 0.0029155 k( 172) = ( 0.1666667 0.0962250 0.3821892), wk = 0.0029155 k( 173) = ( 0.1777778 0.1026400 0.3821892), wk = 0.0029155 k( 174) = ( 0.1888889 0.1090551 0.3821892), wk = 0.0029155 k( 175) = ( 0.2000000 0.1154701 0.3821892), wk = 0.0029155 k( 176) = ( 0.2111111 0.1218851 0.3821892), wk = 0.0029155 k( 177) = ( 0.2222222 0.1283001 0.3821892), wk = 0.0029155 k( 178) = ( 0.2333333 0.1347151 0.3821892), wk = 0.0029155 k( 179) = ( 0.2444444 0.1411301 0.3821892), wk = 0.0029155 k( 180) = ( 0.2555556 0.1475451 0.3821892), wk = 0.0029155 k( 181) = ( 0.2666667 0.1539601 0.3821892), wk = 0.0029155 k( 182) = ( 0.2777778 0.1603751 0.3821892), wk = 0.0029155 k( 183) = ( 0.2888889 0.1667901 0.3821892), wk = 0.0029155 k( 184) = ( 0.3000000 0.1732051 0.3821892), wk = 0.0029155 k( 185) = ( 0.3111111 0.1796201 0.3821892), wk = 0.0029155 k( 186) = ( 0.3222222 0.1860351 0.3821892), wk = 0.0029155 k( 187) = ( 0.3333333 0.1924501 0.3821892), wk = 0.0029155 k( 188) = ( 0.3444444 0.1988651 0.3821892), wk = 0.0029155 k( 189) = ( 0.3555556 0.2052801 0.3821892), wk = 0.0029155 k( 190) = ( 0.3666667 0.2116951 0.3821892), wk = 0.0029155 k( 191) = ( 0.3777778 0.2181101 0.3821892), wk = 0.0029155 k( 192) = ( 0.3888889 0.2245251 0.3821892), wk = 0.0029155 k( 193) = ( 0.4000000 0.2309401 0.3821892), wk = 0.0029155 k( 194) = ( 0.4111111 0.2373551 0.3821892), wk = 0.0029155 k( 195) = ( 0.4222222 0.2437701 0.3821892), wk = 0.0029155 k( 196) = ( 0.4333333 0.2501851 0.3821892), wk = 0.0029155 k( 197) = ( 0.4444444 0.2566001 0.3821892), wk = 0.0029155 k( 198) = ( 0.4555556 0.2630151 0.3821892), wk = 0.0029155 k( 199) = ( 0.4666667 0.2694301 0.3821892), wk = 0.0029155 k( 200) = ( 0.4777778 0.2758451 0.3821892), wk = 0.0029155 k( 201) = ( 0.4888889 0.2822601 0.3821892), wk = 0.0029155 k( 202) = ( 0.5000000 0.2886751 0.3821892), wk = 0.0029155 k( 203) = ( 0.5000000 0.2886751 0.3821892), wk = 0.0029155 k( 204) = ( 0.4935897 0.2997780 0.3821892), wk = 0.0029155 k( 205) = ( 0.4871795 0.3108809 0.3821892), wk = 0.0029155 k( 206) = ( 0.4807692 0.3219838 0.3821892), wk = 0.0029155 k( 207) = ( 0.4743590 0.3330867 0.3821892), wk = 0.0029155 k( 208) = ( 0.4679487 0.3441896 0.3821892), wk = 0.0029155 k( 209) = ( 0.4615385 0.3552925 0.3821892), wk = 0.0029155 k( 210) = ( 0.4551282 0.3663954 0.3821892), wk = 0.0029155 k( 211) = ( 0.4487179 0.3774983 0.3821892), wk = 0.0029155 k( 212) = ( 0.4423077 0.3886011 0.3821892), wk = 0.0029155 k( 213) = ( 0.4358974 0.3997040 0.3821892), wk = 0.0029155 k( 214) = ( 0.4294872 0.4108069 0.3821892), wk = 0.0029155 k( 215) = ( 0.4230769 0.4219098 0.3821892), wk = 0.0029155 k( 216) = ( 0.4166667 0.4330127 0.3821892), wk = 0.0029155 k( 217) = ( 0.4102564 0.4441156 0.3821892), wk = 0.0029155 k( 218) = ( 0.4038462 0.4552185 0.3821892), wk = 0.0029155 k( 219) = ( 0.3974359 0.4663214 0.3821892), wk = 0.0029155 k( 220) = ( 0.3910256 0.4774243 0.3821892), wk = 0.0029155 k( 221) = ( 0.3846154 0.4885271 0.3821892), wk = 0.0029155 k( 222) = ( 0.3782051 0.4996300 0.3821892), wk = 0.0029155 k( 223) = ( 0.3717949 0.5107329 0.3821892), wk = 0.0029155 k( 224) = ( 0.3653846 0.5218358 0.3821892), wk = 0.0029155 k( 225) = ( 0.3589744 0.5329387 0.3821892), wk = 0.0029155 k( 226) = ( 0.3525641 0.5440416 0.3821892), wk = 0.0029155 k( 227) = ( 0.3461538 0.5551445 0.3821892), wk = 0.0029155 k( 228) = ( 0.3397436 0.5662474 0.3821892), wk = 0.0029155 k( 229) = ( 0.3333333 0.5773503 0.3821892), wk = 0.0029155 k( 230) = ( 0.3333333 0.5773503 0.3821892), wk = 0.0029155 k( 231) = ( 0.3267974 0.5660297 0.3821892), wk = 0.0029155 k( 232) = ( 0.3202614 0.5547091 0.3821892), wk = 0.0029155 k( 233) = ( 0.3137255 0.5433885 0.3821892), wk = 0.0029155 k( 234) = ( 0.3071895 0.5320679 0.3821892), wk = 0.0029155 k( 235) = ( 0.3006536 0.5207473 0.3821892), wk = 0.0029155 k( 236) = ( 0.2941177 0.5094267 0.3821892), wk = 0.0029155 k( 237) = ( 0.2875817 0.4981061 0.3821892), wk = 0.0029155 k( 238) = ( 0.2810457 0.4867855 0.3821892), wk = 0.0029155 k( 239) = ( 0.2745098 0.4754649 0.3821892), wk = 0.0029155 k( 240) = ( 0.2679739 0.4641443 0.3821892), wk = 0.0029155 k( 241) = ( 0.2614379 0.4528237 0.3821892), wk = 0.0029155 k( 242) = ( 0.2549020 0.4415031 0.3821892), wk = 0.0029155 k( 243) = ( 0.2483660 0.4301825 0.3821892), wk = 0.0029155 k( 244) = ( 0.2418301 0.4188620 0.3821892), wk = 0.0029155 k( 245) = ( 0.2352941 0.4075414 0.3821892), wk = 0.0029155 k( 246) = ( 0.2287582 0.3962208 0.3821892), wk = 0.0029155 k( 247) = ( 0.2222222 0.3849002 0.3821892), wk = 0.0029155 k( 248) = ( 0.2156863 0.3735796 0.3821892), wk = 0.0029155 k( 249) = ( 0.2091503 0.3622590 0.3821892), wk = 0.0029155 k( 250) = ( 0.2026144 0.3509384 0.3821892), wk = 0.0029155 k( 251) = ( 0.1960784 0.3396178 0.3821892), wk = 0.0029155 k( 252) = ( 0.1895425 0.3282972 0.3821892), wk = 0.0029155 k( 253) = ( 0.1830065 0.3169766 0.3821892), wk = 0.0029155 k( 254) = ( 0.1764706 0.3056560 0.3821892), wk = 0.0029155 k( 255) = ( 0.1699346 0.2943354 0.3821892), wk = 0.0029155 k( 256) = ( 0.1633987 0.2830148 0.3821892), wk = 0.0029155 k( 257) = ( 0.1568627 0.2716943 0.3821892), wk = 0.0029155 k( 258) = ( 0.1503268 0.2603737 0.3821892), wk = 0.0029155 k( 259) = ( 0.1437908 0.2490531 0.3821892), wk = 0.0029155 k( 260) = ( 0.1372549 0.2377325 0.3821892), wk = 0.0029155 k( 261) = ( 0.1307190 0.2264119 0.3821892), wk = 0.0029155 k( 262) = ( 0.1241830 0.2150913 0.3821892), wk = 0.0029155 k( 263) = ( 0.1176471 0.2037707 0.3821892), wk = 0.0029155 k( 264) = ( 0.1111111 0.1924501 0.3821892), wk = 0.0029155 k( 265) = ( 0.1045752 0.1811295 0.3821892), wk = 0.0029155 k( 266) = ( 0.0980392 0.1698089 0.3821892), wk = 0.0029155 k( 267) = ( 0.0915033 0.1584883 0.3821892), wk = 0.0029155 k( 268) = ( 0.0849673 0.1471677 0.3821892), wk = 0.0029155 k( 269) = ( 0.0784314 0.1358471 0.3821892), wk = 0.0029155 k( 270) = ( 0.0718954 0.1245265 0.3821892), wk = 0.0029155 k( 271) = ( 0.0653595 0.1132059 0.3821892), wk = 0.0029155 k( 272) = ( 0.0588235 0.1018853 0.3821892), wk = 0.0029155 k( 273) = ( 0.0522876 0.0905647 0.3821892), wk = 0.0029155 k( 274) = ( 0.0457516 0.0792441 0.3821892), wk = 0.0029155 k( 275) = ( 0.0392157 0.0679236 0.3821892), wk = 0.0029155 k( 276) = ( 0.0326797 0.0566030 0.3821892), wk = 0.0029155 k( 277) = ( 0.0261438 0.0452824 0.3821892), wk = 0.0029155 k( 278) = ( 0.0196078 0.0339618 0.3821892), wk = 0.0029155 k( 279) = ( 0.0130719 0.0226412 0.3821892), wk = 0.0029155 k( 280) = ( 0.0065359 0.0113206 0.3821892), wk = 0.0029155 k( 281) = ( 0.0000000 0.0000000 0.3821892), wk = 0.0029155 k( 282) = ( 0.5000000 0.2886751 0.3821892), wk = 0.0029155 k( 283) = ( 0.5000000 0.2886751 0.3694496), wk = 0.0029155 k( 284) = ( 0.5000000 0.2886751 0.3567100), wk = 0.0029155 k( 285) = ( 0.5000000 0.2886751 0.3439703), wk = 0.0029155 k( 286) = ( 0.5000000 0.2886751 0.3312307), wk = 0.0029155 k( 287) = ( 0.5000000 0.2886751 0.3184910), wk = 0.0029155 k( 288) = ( 0.5000000 0.2886751 0.3057514), wk = 0.0029155 k( 289) = ( 0.5000000 0.2886751 0.2930117), wk = 0.0029155 k( 290) = ( 0.5000000 0.2886751 0.2802721), wk = 0.0029155 k( 291) = ( 0.5000000 0.2886751 0.2675325), wk = 0.0029155 k( 292) = ( 0.5000000 0.2886751 0.2547928), wk = 0.0029155 k( 293) = ( 0.5000000 0.2886751 0.2420532), wk = 0.0029155 k( 294) = ( 0.5000000 0.2886751 0.2293135), wk = 0.0029155 k( 295) = ( 0.5000000 0.2886751 0.2165739), wk = 0.0029155 k( 296) = ( 0.5000000 0.2886751 0.2038343), wk = 0.0029155 k( 297) = ( 0.5000000 0.2886751 0.1910946), wk = 0.0029155 k( 298) = ( 0.5000000 0.2886751 0.1783550), wk = 0.0029155 k( 299) = ( 0.5000000 0.2886751 0.1656153), wk = 0.0029155 k( 300) = ( 0.5000000 0.2886751 0.1528757), wk = 0.0029155 k( 301) = ( 0.5000000 0.2886751 0.1401361), wk = 0.0029155 k( 302) = ( 0.5000000 0.2886751 0.1273964), wk = 0.0029155 k( 303) = ( 0.5000000 0.2886751 0.1146568), wk = 0.0029155 k( 304) = ( 0.5000000 0.2886751 0.1019171), wk = 0.0029155 k( 305) = ( 0.5000000 0.2886751 0.0891775), wk = 0.0029155 k( 306) = ( 0.5000000 0.2886751 0.0764378), wk = 0.0029155 k( 307) = ( 0.5000000 0.2886751 0.0636982), wk = 0.0029155 k( 308) = ( 0.5000000 0.2886751 0.0509586), wk = 0.0029155 k( 309) = ( 0.5000000 0.2886751 0.0382189), wk = 0.0029155 k( 310) = ( 0.5000000 0.2886751 0.0254793), wk = 0.0029155 k( 311) = ( 0.5000000 0.2886751 0.0127396), wk = 0.0029155 k( 312) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 313) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 314) = ( 0.3333333 0.5773503 0.0127396), wk = 0.0029155 k( 315) = ( 0.3333333 0.5773503 0.0254793), wk = 0.0029155 k( 316) = ( 0.3333333 0.5773503 0.0382189), wk = 0.0029155 k( 317) = ( 0.3333333 0.5773503 0.0509586), wk = 0.0029155 k( 318) = ( 0.3333333 0.5773503 0.0636982), wk = 0.0029155 k( 319) = ( 0.3333333 0.5773503 0.0764378), wk = 0.0029155 k( 320) = ( 0.3333333 0.5773503 0.0891775), wk = 0.0029155 k( 321) = ( 0.3333333 0.5773503 0.1019171), wk = 0.0029155 k( 322) = ( 0.3333333 0.5773503 0.1146568), wk = 0.0029155 k( 323) = ( 0.3333333 0.5773503 0.1273964), wk = 0.0029155 k( 324) = ( 0.3333333 0.5773503 0.1401361), wk = 0.0029155 k( 325) = ( 0.3333333 0.5773503 0.1528757), wk = 0.0029155 k( 326) = ( 0.3333333 0.5773503 0.1656153), wk = 0.0029155 k( 327) = ( 0.3333333 0.5773503 0.1783550), wk = 0.0029155 k( 328) = ( 0.3333333 0.5773503 0.1910946), wk = 0.0029155 k( 329) = ( 0.3333333 0.5773503 0.2038343), wk = 0.0029155 k( 330) = ( 0.3333333 0.5773503 0.2165739), wk = 0.0029155 k( 331) = ( 0.3333333 0.5773503 0.2293135), wk = 0.0029155 k( 332) = ( 0.3333333 0.5773503 0.2420532), wk = 0.0029155 k( 333) = ( 0.3333333 0.5773503 0.2547928), wk = 0.0029155 k( 334) = ( 0.3333333 0.5773503 0.2675325), wk = 0.0029155 k( 335) = ( 0.3333333 0.5773503 0.2802721), wk = 0.0029155 k( 336) = ( 0.3333333 0.5773503 0.2930117), wk = 0.0029155 k( 337) = ( 0.3333333 0.5773503 0.3057514), wk = 0.0029155 k( 338) = ( 0.3333333 0.5773503 0.3184910), wk = 0.0029155 k( 339) = ( 0.3333333 0.5773503 0.3312307), wk = 0.0029155 k( 340) = ( 0.3333333 0.5773503 0.3439703), wk = 0.0029155 k( 341) = ( 0.3333333 0.5773503 0.3567100), wk = 0.0029155 k( 342) = ( 0.3333333 0.5773503 0.3694496), wk = 0.0029155 k( 343) = ( 0.3333333 0.5773503 0.3821892), wk = 0.0029155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0111111 -0.0000000 0.0000000), wk = 0.0029155 k( 3) = ( 0.0222222 -0.0000000 0.0000000), wk = 0.0029155 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0029155 k( 5) = ( 0.0444444 -0.0000000 0.0000000), wk = 0.0029155 k( 6) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0029155 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0029155 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0029155 k( 9) = ( 0.0888889 -0.0000000 0.0000000), wk = 0.0029155 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0029155 k( 11) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0029155 k( 12) = ( 0.1222222 -0.0000000 0.0000000), wk = 0.0029155 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0029155 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0029155 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0029155 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0029155 k( 17) = ( 0.1777778 -0.0000000 0.0000000), wk = 0.0029155 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0029155 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0029155 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0029155 k( 21) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0029155 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0029155 k( 23) = ( 0.2444444 -0.0000000 0.0000000), wk = 0.0029155 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0029155 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0029155 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0029155 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0029155 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0029155 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0029155 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0029155 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0029155 k( 32) = ( 0.3444444 -0.0000000 0.0000000), wk = 0.0029155 k( 33) = ( 0.3555556 -0.0000000 0.0000000), wk = 0.0029155 k( 34) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0029155 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0029155 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0029155 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0029155 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0029155 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0029155 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0029155 k( 41) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0029155 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0029155 k( 43) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0029155 k( 44) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0029155 k( 45) = ( 0.4888889 -0.0000000 0.0000000), wk = 0.0029155 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029155 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029155 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0029155 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0029155 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0029155 k( 51) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0029155 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0029155 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0029155 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0029155 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0029155 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0029155 k( 57) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0029155 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0029155 k( 59) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0029155 k( 60) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029155 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0029155 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0029155 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0029155 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0029155 k( 65) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0029155 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0029155 k( 67) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0029155 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0029155 k( 69) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0029155 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0029155 k( 71) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0029155 k( 72) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0029155 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029155 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029155 k( 75) = ( 0.3267974 0.3267974 -0.0000000), wk = 0.0029155 k( 76) = ( 0.3202614 0.3202614 -0.0000000), wk = 0.0029155 k( 77) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0029155 k( 78) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0029155 k( 79) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0029155 k( 80) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0029155 k( 81) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0029155 k( 82) = ( 0.2810457 0.2810457 0.0000000), wk = 0.0029155 k( 83) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0029155 k( 84) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0029155 k( 85) = ( 0.2614379 0.2614379 0.0000000), wk = 0.0029155 k( 86) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0029155 k( 87) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0029155 k( 88) = ( 0.2418301 0.2418301 0.0000000), wk = 0.0029155 k( 89) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0029155 k( 90) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0029155 k( 91) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029155 k( 92) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0029155 k( 93) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0029155 k( 94) = ( 0.2026144 0.2026144 -0.0000000), wk = 0.0029155 k( 95) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0029155 k( 96) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0029155 k( 97) = ( 0.1830065 0.1830065 0.0000000), wk = 0.0029155 k( 98) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0029155 k( 99) = ( 0.1699346 0.1699346 -0.0000000), wk = 0.0029155 k( 100) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0029155 k( 101) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0029155 k( 102) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0029155 k( 103) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0029155 k( 104) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0029155 k( 105) = ( 0.1307190 0.1307190 0.0000000), wk = 0.0029155 k( 106) = ( 0.1241830 0.1241830 0.0000000), wk = 0.0029155 k( 107) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0029155 k( 108) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029155 k( 109) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0029155 k( 110) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0029155 k( 111) = ( 0.0915033 0.0915033 0.0000000), wk = 0.0029155 k( 112) = ( 0.0849673 0.0849673 -0.0000000), wk = 0.0029155 k( 113) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0029155 k( 114) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0029155 k( 115) = ( 0.0653595 0.0653595 -0.0000000), wk = 0.0029155 k( 116) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0029155 k( 117) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0029155 k( 118) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0029155 k( 119) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0029155 k( 120) = ( 0.0326797 0.0326797 -0.0000000), wk = 0.0029155 k( 121) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0029155 k( 122) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0029155 k( 123) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0029155 k( 124) = ( 0.0065359 0.0065359 0.0000000), wk = 0.0029155 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 127) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0029155 k( 128) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0029155 k( 129) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0029155 k( 130) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0029155 k( 131) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029155 k( 132) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029155 k( 133) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0029155 k( 134) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0029155 k( 135) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0029155 k( 136) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029155 k( 137) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0029155 k( 138) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029155 k( 139) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0029155 k( 140) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0029155 k( 141) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029155 k( 142) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0029155 k( 143) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0029155 k( 144) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029155 k( 145) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0029155 k( 146) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029155 k( 147) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0029155 k( 148) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0029155 k( 149) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0029155 k( 150) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029155 k( 151) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029155 k( 152) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0029155 k( 153) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0029155 k( 154) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0029155 k( 155) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0029155 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 158) = ( 0.0111111 -0.0000000 0.5000000), wk = 0.0029155 k( 159) = ( 0.0222222 -0.0000000 0.5000000), wk = 0.0029155 k( 160) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0029155 k( 161) = ( 0.0444444 -0.0000000 0.5000000), wk = 0.0029155 k( 162) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0029155 k( 163) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0029155 k( 164) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0029155 k( 165) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0029155 k( 166) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0029155 k( 167) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0029155 k( 168) = ( 0.1222222 -0.0000000 0.5000000), wk = 0.0029155 k( 169) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0029155 k( 170) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0029155 k( 171) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0029155 k( 172) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0029155 k( 173) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0029155 k( 174) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0029155 k( 175) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0029155 k( 176) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0029155 k( 177) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0029155 k( 178) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0029155 k( 179) = ( 0.2444444 -0.0000000 0.5000000), wk = 0.0029155 k( 180) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0029155 k( 181) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0029155 k( 182) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0029155 k( 183) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0029155 k( 184) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0029155 k( 185) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0029155 k( 186) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0029155 k( 187) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0029155 k( 188) = ( 0.3444444 -0.0000000 0.5000000), wk = 0.0029155 k( 189) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0029155 k( 190) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0029155 k( 191) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0029155 k( 192) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0029155 k( 193) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0029155 k( 194) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0029155 k( 195) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0029155 k( 196) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0029155 k( 197) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0029155 k( 198) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0029155 k( 199) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0029155 k( 200) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0029155 k( 201) = ( 0.4888889 -0.0000000 0.5000000), wk = 0.0029155 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 203) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 204) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0029155 k( 205) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0029155 k( 206) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0029155 k( 207) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0029155 k( 208) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0029155 k( 209) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0029155 k( 210) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0029155 k( 211) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0029155 k( 212) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0029155 k( 213) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0029155 k( 214) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0029155 k( 215) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0029155 k( 216) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029155 k( 217) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0029155 k( 218) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0029155 k( 219) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0029155 k( 220) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0029155 k( 221) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0029155 k( 222) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0029155 k( 223) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0029155 k( 224) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0029155 k( 225) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0029155 k( 226) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0029155 k( 227) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0029155 k( 228) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0029155 k( 229) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 k( 230) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 k( 231) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0029155 k( 232) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0029155 k( 233) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0029155 k( 234) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0029155 k( 235) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0029155 k( 236) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0029155 k( 237) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0029155 k( 238) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0029155 k( 239) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0029155 k( 240) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0029155 k( 241) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0029155 k( 242) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0029155 k( 243) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0029155 k( 244) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0029155 k( 245) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0029155 k( 246) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0029155 k( 247) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029155 k( 248) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0029155 k( 249) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0029155 k( 250) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0029155 k( 251) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0029155 k( 252) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0029155 k( 253) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0029155 k( 254) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0029155 k( 255) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0029155 k( 256) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0029155 k( 257) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0029155 k( 258) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0029155 k( 259) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0029155 k( 260) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0029155 k( 261) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0029155 k( 262) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0029155 k( 263) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0029155 k( 264) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029155 k( 265) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0029155 k( 266) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0029155 k( 267) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0029155 k( 268) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0029155 k( 269) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0029155 k( 270) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0029155 k( 271) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0029155 k( 272) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0029155 k( 273) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0029155 k( 274) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0029155 k( 275) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0029155 k( 276) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0029155 k( 277) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0029155 k( 278) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0029155 k( 279) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0029155 k( 280) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0029155 k( 281) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 282) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 283) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0029155 k( 284) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0029155 k( 285) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0029155 k( 286) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0029155 k( 287) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0029155 k( 288) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0029155 k( 289) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0029155 k( 290) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0029155 k( 291) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0029155 k( 292) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0029155 k( 293) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0029155 k( 294) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0029155 k( 295) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0029155 k( 296) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0029155 k( 297) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029155 k( 298) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0029155 k( 299) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0029155 k( 300) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0029155 k( 301) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0029155 k( 302) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0029155 k( 303) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0029155 k( 304) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0029155 k( 305) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0029155 k( 306) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0029155 k( 307) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0029155 k( 308) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0029155 k( 309) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0029155 k( 310) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0029155 k( 311) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0029155 k( 312) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029155 k( 313) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029155 k( 314) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0029155 k( 315) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0029155 k( 316) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0029155 k( 317) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0029155 k( 318) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0029155 k( 319) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0029155 k( 320) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0029155 k( 321) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0029155 k( 322) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0029155 k( 323) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0029155 k( 324) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0029155 k( 325) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0029155 k( 326) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0029155 k( 327) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0029155 k( 328) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029155 k( 329) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0029155 k( 330) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0029155 k( 331) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0029155 k( 332) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0029155 k( 333) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029155 k( 334) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0029155 k( 335) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0029155 k( 336) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0029155 k( 337) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0029155 k( 338) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0029155 k( 339) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0029155 k( 340) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0029155 k( 341) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0029155 k( 342) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0029155 k( 343) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 Dense grid: 78811 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 19633 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 152, 42) NL pseudopotentials 0.11 Mb ( 76, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2189) G-vector shells 0.01 Mb ( 1027) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 152, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) The potential is recalculated from file : ./AuSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.8 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 8.0 secs Computing kpt #: 19 total cpu time spent up to now is 8.4 secs Computing kpt #: 20 total cpu time spent up to now is 8.8 secs Computing kpt #: 21 total cpu time spent up to now is 9.1 secs Computing kpt #: 22 total cpu time spent up to now is 9.5 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.1 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 11.0 secs Computing kpt #: 28 total cpu time spent up to now is 11.3 secs Computing kpt #: 29 total cpu time spent up to now is 11.6 secs Computing kpt #: 30 total cpu time spent up to now is 11.9 secs Computing kpt #: 31 total cpu time spent up to now is 12.2 secs Computing kpt #: 32 total cpu time spent up to now is 12.7 secs Computing kpt #: 33 total cpu time spent up to now is 12.9 secs Computing kpt #: 34 total cpu time spent up to now is 13.2 secs Computing kpt #: 35 total cpu time spent up to now is 13.5 secs Computing kpt #: 36 total cpu time spent up to now is 13.8 secs Computing kpt #: 37 total cpu time spent up to now is 14.1 secs Computing kpt #: 38 total cpu time spent up to now is 14.3 secs Computing kpt #: 39 total cpu time spent up to now is 14.6 secs Computing kpt #: 40 total cpu time spent up to now is 14.9 secs Computing kpt #: 41 total cpu time spent up to now is 15.2 secs Computing kpt #: 42 total cpu time spent up to now is 15.4 secs Computing kpt #: 43 total cpu time spent up to now is 15.7 secs Computing kpt #: 44 total cpu time spent up to now is 16.0 secs Computing kpt #: 45 total cpu time spent up to now is 16.2 secs Computing kpt #: 46 total cpu time spent up to now is 16.5 secs Computing kpt #: 47 total cpu time spent up to now is 16.8 secs Computing kpt #: 48 total cpu time spent up to now is 17.1 secs Computing kpt #: 49 total cpu time spent up to now is 17.3 secs Computing kpt #: 50 total cpu time spent up to now is 17.6 secs Computing kpt #: 51 total cpu time spent up to now is 17.9 secs Computing kpt #: 52 total cpu time spent up to now is 18.2 secs Computing kpt #: 53 total cpu time spent up to now is 18.4 secs Computing kpt #: 54 total cpu time spent up to now is 18.7 secs Computing kpt #: 55 total cpu time spent up to now is 19.0 secs Computing kpt #: 56 total cpu time spent up to now is 19.3 secs Computing kpt #: 57 total cpu time spent up to now is 19.6 secs Computing kpt #: 58 total cpu time spent up to now is 19.8 secs Computing kpt #: 59 total cpu time spent up to now is 20.1 secs Computing kpt #: 60 total cpu time spent up to now is 20.4 secs Computing kpt #: 61 total cpu time spent up to now is 20.7 secs Computing kpt #: 62 total cpu time spent up to now is 21.0 secs Computing kpt #: 63 total cpu time spent up to now is 21.3 secs Computing kpt #: 64 total cpu time spent up to now is 21.6 secs Computing kpt #: 65 total cpu time spent up to now is 21.9 secs Computing kpt #: 66 total cpu time spent up to now is 22.2 secs Computing kpt #: 67 total cpu time spent up to now is 22.5 secs Computing kpt #: 68 total cpu time spent up to now is 22.8 secs Computing kpt #: 69 total cpu time spent up to now is 23.1 secs Computing kpt #: 70 total cpu time spent up to now is 23.5 secs Computing kpt #: 71 total cpu time spent up to now is 23.8 secs Computing kpt #: 72 total cpu time spent up to now is 24.1 secs Computing kpt #: 73 total cpu time spent up to now is 24.4 secs Computing kpt #: 74 total cpu time spent up to now is 24.7 secs Computing kpt #: 75 total cpu time spent up to now is 25.1 secs Computing kpt #: 76 total cpu time spent up to now is 25.4 secs Computing kpt #: 77 total cpu time spent up to now is 25.8 secs Computing kpt #: 78 total cpu time spent up to now is 26.1 secs Computing kpt #: 79 total cpu time spent up to now is 26.5 secs Computing kpt #: 80 total cpu time spent up to now is 26.8 secs Computing kpt #: 81 total cpu time spent up to now is 27.2 secs Computing kpt #: 82 total cpu time spent up to now is 27.5 secs Computing kpt #: 83 total cpu time spent up to now is 27.9 secs Computing kpt #: 84 total cpu time spent up to now is 28.2 secs Computing kpt #: 85 total cpu time spent up to now is 28.6 secs Computing kpt #: 86 total cpu time spent up to now is 28.9 secs Computing kpt #: 87 total cpu time spent up to now is 29.2 secs Computing kpt #: 88 total cpu time spent up to now is 29.5 secs Computing kpt #: 89 total cpu time spent up to now is 29.8 secs Computing kpt #: 90 total cpu time spent up to now is 30.1 secs Computing kpt #: 91 total cpu time spent up to now is 30.4 secs Computing kpt #: 92 total cpu time spent up to now is 30.7 secs Computing kpt #: 93 total cpu time spent up to now is 31.0 secs Computing kpt #: 94 total cpu time spent up to now is 31.3 secs Computing kpt #: 95 total cpu time spent up to now is 31.7 secs Computing kpt #: 96 total cpu time spent up to now is 32.0 secs Computing kpt #: 97 total cpu time spent up to now is 32.3 secs Computing kpt #: 98 total cpu time spent up to now is 32.6 secs Computing kpt #: 99 total cpu time spent up to now is 32.9 secs Computing kpt #: 100 total cpu time spent up to now is 33.2 secs Computing kpt #: 101 total cpu time spent up to now is 33.5 secs Computing kpt #: 102 total cpu time spent up to now is 33.8 secs Computing kpt #: 103 total cpu time spent up to now is 34.1 secs Computing kpt #: 104 total cpu time spent up to now is 34.4 secs Computing kpt #: 105 total cpu time spent up to now is 34.8 secs Computing kpt #: 106 total cpu time spent up to now is 35.1 secs Computing kpt #: 107 total cpu time spent up to now is 35.5 secs Computing kpt #: 108 total cpu time spent up to now is 35.9 secs Computing kpt #: 109 total cpu time spent up to now is 36.3 secs Computing kpt #: 110 total cpu time spent up to now is 36.8 secs Computing kpt #: 111 total cpu time spent up to now is 37.2 secs Computing kpt #: 112 total cpu time spent up to now is 37.6 secs Computing kpt #: 113 total cpu time spent up to now is 38.0 secs Computing kpt #: 114 total cpu time spent up to now is 38.4 secs Computing kpt #: 115 total cpu time spent up to now is 38.8 secs Computing kpt #: 116 total cpu time spent up to now is 39.2 secs Computing kpt #: 117 total cpu time spent up to now is 39.6 secs Computing kpt #: 118 total cpu time spent up to now is 39.9 secs Computing kpt #: 119 total cpu time spent up to now is 40.3 secs Computing kpt #: 120 total cpu time spent up to now is 40.6 secs Computing kpt #: 121 total cpu time spent up to now is 40.9 secs Computing kpt #: 122 total cpu time spent up to now is 41.2 secs Computing kpt #: 123 total cpu time spent up to now is 41.5 secs Computing kpt #: 124 total cpu time spent up to now is 41.7 secs Computing kpt #: 125 total cpu time spent up to now is 42.0 secs Computing kpt #: 126 total cpu time spent up to now is 42.3 secs Computing kpt #: 127 total cpu time spent up to now is 42.6 secs Computing kpt #: 128 total cpu time spent up to now is 42.9 secs Computing kpt #: 129 total cpu time spent up to now is 43.2 secs Computing kpt #: 130 total cpu time spent up to now is 43.5 secs Computing kpt #: 131 total cpu time spent up to now is 43.7 secs Computing kpt #: 132 total cpu time spent up to now is 44.0 secs Computing kpt #: 133 total cpu time spent up to now is 44.3 secs Computing kpt #: 134 total cpu time spent up to now is 44.6 secs Computing kpt #: 135 total cpu time spent up to now is 44.9 secs Computing kpt #: 136 total cpu time spent up to now is 45.2 secs Computing kpt #: 137 total cpu time spent up to now is 45.5 secs Computing kpt #: 138 total cpu time spent up to now is 45.8 secs Computing kpt #: 139 total cpu time spent up to now is 46.1 secs Computing kpt #: 140 total cpu time spent up to now is 46.4 secs Computing kpt #: 141 total cpu time spent up to now is 46.8 secs Computing kpt #: 142 total cpu time spent up to now is 47.1 secs Computing kpt #: 143 total cpu time spent up to now is 47.4 secs Computing kpt #: 144 total cpu time spent up to now is 47.7 secs Computing kpt #: 145 total cpu time spent up to now is 48.0 secs Computing kpt #: 146 total cpu time spent up to now is 48.3 secs Computing kpt #: 147 total cpu time spent up to now is 48.6 secs Computing kpt #: 148 total cpu time spent up to now is 48.9 secs Computing kpt #: 149 total cpu time spent up to now is 49.2 secs Computing kpt #: 150 total cpu time spent up to now is 49.6 secs Computing kpt #: 151 total cpu time spent up to now is 49.9 secs Computing kpt #: 152 total cpu time spent up to now is 50.3 secs Computing kpt #: 153 total cpu time spent up to now is 50.6 secs Computing kpt #: 154 total cpu time spent up to now is 51.0 secs Computing kpt #: 155 total cpu time spent up to now is 51.4 secs Computing kpt #: 156 total cpu time spent up to now is 51.7 secs Computing kpt #: 157 total cpu time spent up to now is 52.1 secs Computing kpt #: 158 total cpu time spent up to now is 52.4 secs Computing kpt #: 159 total cpu time spent up to now is 52.7 secs Computing kpt #: 160 total cpu time spent up to now is 53.1 secs Computing kpt #: 161 total cpu time spent up to now is 53.4 secs Computing kpt #: 162 total cpu time spent up to now is 53.8 secs Computing kpt #: 163 total cpu time spent up to now is 54.1 secs Computing kpt #: 164 total cpu time spent up to now is 54.5 secs Computing kpt #: 165 total cpu time spent up to now is 54.9 secs Computing kpt #: 166 total cpu time spent up to now is 55.2 secs Computing kpt #: 167 total cpu time spent up to now is 55.6 secs Computing kpt #: 168 total cpu time spent up to now is 56.0 secs Computing kpt #: 169 total cpu time spent up to now is 56.4 secs Computing kpt #: 170 total cpu time spent up to now is 56.8 secs Computing kpt #: 171 total cpu time spent up to now is 57.2 secs Computing kpt #: 172 total cpu time spent up to now is 57.6 secs Computing kpt #: 173 total cpu time spent up to now is 57.9 secs Computing kpt #: 174 total cpu time spent up to now is 58.3 secs Computing kpt #: 175 total cpu time spent up to now is 58.7 secs Computing kpt #: 176 total cpu time spent up to now is 59.1 secs Computing kpt #: 177 total cpu time spent up to now is 59.5 secs Computing kpt #: 178 total cpu time spent up to now is 59.9 secs Computing kpt #: 179 total cpu time spent up to now is 60.4 secs Computing kpt #: 180 total cpu time spent up to now is 60.8 secs Computing kpt #: 181 total cpu time spent up to now is 61.2 secs Computing kpt #: 182 total cpu time spent up to now is 61.6 secs Computing kpt #: 183 total cpu time spent up to now is 62.1 secs Computing kpt #: 184 total cpu time spent up to now is 62.6 secs Computing kpt #: 185 total cpu time spent up to now is 63.0 secs Computing kpt #: 186 total cpu time spent up to now is 63.5 secs Computing kpt #: 187 total cpu time spent up to now is 64.0 secs Computing kpt #: 188 total cpu time spent up to now is 64.4 secs Computing kpt #: 189 total cpu time spent up to now is 64.9 secs Computing kpt #: 190 total cpu time spent up to now is 65.4 secs Computing kpt #: 191 total cpu time spent up to now is 65.8 secs Computing kpt #: 192 total cpu time spent up to now is 66.2 secs Computing kpt #: 193 total cpu time spent up to now is 66.7 secs Computing kpt #: 194 total cpu time spent up to now is 67.0 secs Computing kpt #: 195 total cpu time spent up to now is 67.4 secs Computing kpt #: 196 total cpu time spent up to now is 67.8 secs Computing kpt #: 197 total cpu time spent up to now is 68.2 secs Computing kpt #: 198 total cpu time spent up to now is 68.6 secs Computing kpt #: 199 total cpu time spent up to now is 69.0 secs Computing kpt #: 200 total cpu time spent up to now is 69.3 secs Computing kpt #: 201 total cpu time spent up to now is 69.7 secs Computing kpt #: 202 total cpu time spent up to now is 70.1 secs Computing kpt #: 203 total cpu time spent up to now is 70.4 secs Computing kpt #: 204 total cpu time spent up to now is 70.9 secs Computing kpt #: 205 total cpu time spent up to now is 71.4 secs Computing kpt #: 206 total cpu time spent up to now is 71.9 secs Computing kpt #: 207 total cpu time spent up to now is 72.3 secs Computing kpt #: 208 total cpu time spent up to now is 72.7 secs Computing kpt #: 209 total cpu time spent up to now is 73.1 secs Computing kpt #: 210 total cpu time spent up to now is 73.5 secs Computing kpt #: 211 total cpu time spent up to now is 73.9 secs Computing kpt #: 212 total cpu time spent up to now is 74.3 secs Computing kpt #: 213 total cpu time spent up to now is 74.6 secs Computing kpt #: 214 total cpu time spent up to now is 75.0 secs Computing kpt #: 215 total cpu time spent up to now is 75.4 secs Computing kpt #: 216 total cpu time spent up to now is 75.7 secs Computing kpt #: 217 total cpu time spent up to now is 76.1 secs Computing kpt #: 218 total cpu time spent up to now is 76.4 secs Computing kpt #: 219 total cpu time spent up to now is 76.7 secs Computing kpt #: 220 total cpu time spent up to now is 77.0 secs Computing kpt #: 221 total cpu time spent up to now is 77.3 secs Computing kpt #: 222 total cpu time spent up to now is 78.5 secs Computing kpt #: 223 total cpu time spent up to now is 78.8 secs Computing kpt #: 224 total cpu time spent up to now is 79.1 secs Computing kpt #: 225 total cpu time spent up to now is 79.4 secs Computing kpt #: 226 total cpu time spent up to now is 79.7 secs Computing kpt #: 227 total cpu time spent up to now is 80.0 secs Computing kpt #: 228 total cpu time spent up to now is 80.3 secs Computing kpt #: 229 total cpu time spent up to now is 80.5 secs Computing kpt #: 230 total cpu time spent up to now is 80.8 secs Computing kpt #: 231 total cpu time spent up to now is 81.1 secs Computing kpt #: 232 total cpu time spent up to now is 81.4 secs Computing kpt #: 233 total cpu time spent up to now is 81.7 secs Computing kpt #: 234 total cpu time spent up to now is 82.0 secs Computing kpt #: 235 total cpu time spent up to now is 82.3 secs Computing kpt #: 236 total cpu time spent up to now is 82.6 secs Computing kpt #: 237 total cpu time spent up to now is 82.9 secs Computing kpt #: 238 total cpu time spent up to now is 83.1 secs Computing kpt #: 239 total cpu time spent up to now is 83.5 secs Computing kpt #: 240 total cpu time spent up to now is 83.8 secs Computing kpt #: 241 total cpu time spent up to now is 84.1 secs Computing kpt #: 242 total cpu time spent up to now is 84.4 secs Computing kpt #: 243 total cpu time spent up to now is 84.7 secs Computing kpt #: 244 total cpu time spent up to now is 85.0 secs Computing kpt #: 245 total cpu time spent up to now is 85.3 secs Computing kpt #: 246 total cpu time spent up to now is 85.6 secs Computing kpt #: 247 total cpu time spent up to now is 85.9 secs Computing kpt #: 248 total cpu time spent up to now is 86.2 secs Computing kpt #: 249 total cpu time spent up to now is 86.5 secs Computing kpt #: 250 total cpu time spent up to now is 86.8 secs Computing kpt #: 251 total cpu time spent up to now is 87.2 secs Computing kpt #: 252 total cpu time spent up to now is 87.5 secs Computing kpt #: 253 total cpu time spent up to now is 87.8 secs Computing kpt #: 254 total cpu time spent up to now is 88.2 secs Computing kpt #: 255 total cpu time spent up to now is 88.6 secs Computing kpt #: 256 total cpu time spent up to now is 88.9 secs Computing kpt #: 257 total cpu time spent up to now is 89.3 secs Computing kpt #: 258 total cpu time spent up to now is 89.6 secs Computing kpt #: 259 total cpu time spent up to now is 90.0 secs Computing kpt #: 260 total cpu time spent up to now is 90.4 secs Computing kpt #: 261 total cpu time spent up to now is 90.7 secs Computing kpt #: 262 total cpu time spent up to now is 91.1 secs Computing kpt #: 263 total cpu time spent up to now is 91.5 secs Computing kpt #: 264 total cpu time spent up to now is 91.9 secs Computing kpt #: 265 total cpu time spent up to now is 92.3 secs Computing kpt #: 266 total cpu time spent up to now is 92.7 secs Computing kpt #: 267 total cpu time spent up to now is 93.1 secs Computing kpt #: 268 total cpu time spent up to now is 93.5 secs Computing kpt #: 269 total cpu time spent up to now is 94.0 secs Computing kpt #: 270 total cpu time spent up to now is 94.4 secs Computing kpt #: 271 total cpu time spent up to now is 94.9 secs Computing kpt #: 272 total cpu time spent up to now is 95.5 secs Computing kpt #: 273 total cpu time spent up to now is 96.0 secs Computing kpt #: 274 total cpu time spent up to now is 96.5 secs Computing kpt #: 275 total cpu time spent up to now is 97.2 secs Computing kpt #: 276 total cpu time spent up to now is 97.7 secs Computing kpt #: 277 total cpu time spent up to now is 98.5 secs Computing kpt #: 278 total cpu time spent up to now is 99.4 secs Computing kpt #: 279 total cpu time spent up to now is 100.0 secs Computing kpt #: 280 total cpu time spent up to now is 100.4 secs Computing kpt #: 281 total cpu time spent up to now is 100.7 secs Computing kpt #: 282 total cpu time spent up to now is 101.0 secs Computing kpt #: 283 total cpu time spent up to now is 101.6 secs Computing kpt #: 284 total cpu time spent up to now is 102.1 secs Computing kpt #: 285 total cpu time spent up to now is 102.6 secs Computing kpt #: 286 total cpu time spent up to now is 103.1 secs Computing kpt #: 287 total cpu time spent up to now is 103.6 secs Computing kpt #: 288 total cpu time spent up to now is 104.1 secs Computing kpt #: 289 total cpu time spent up to now is 104.6 secs Computing kpt #: 290 total cpu time spent up to now is 105.1 secs Computing kpt #: 291 total cpu time spent up to now is 105.5 secs Computing kpt #: 292 total cpu time spent up to now is 105.9 secs Computing kpt #: 293 total cpu time spent up to now is 106.4 secs Computing kpt #: 294 total cpu time spent up to now is 106.8 secs Computing kpt #: 295 total cpu time spent up to now is 107.2 secs Computing kpt #: 296 total cpu time spent up to now is 107.6 secs Computing kpt #: 297 total cpu time spent up to now is 108.0 secs Computing kpt #: 298 total cpu time spent up to now is 108.4 secs Computing kpt #: 299 total cpu time spent up to now is 108.8 secs Computing kpt #: 300 total cpu time spent up to now is 109.2 secs Computing kpt #: 301 total cpu time spent up to now is 109.5 secs Computing kpt #: 302 total cpu time spent up to now is 109.9 secs Computing kpt #: 303 total cpu time spent up to now is 110.3 secs Computing kpt #: 304 total cpu time spent up to now is 110.6 secs Computing kpt #: 305 total cpu time spent up to now is 110.9 secs Computing kpt #: 306 total cpu time spent up to now is 111.3 secs Computing kpt #: 307 total cpu time spent up to now is 111.6 secs Computing kpt #: 308 total cpu time spent up to now is 111.8 secs Computing kpt #: 309 total cpu time spent up to now is 112.1 secs Computing kpt #: 310 total cpu time spent up to now is 112.4 secs Computing kpt #: 311 total cpu time spent up to now is 112.7 secs Computing kpt #: 312 total cpu time spent up to now is 112.9 secs Computing kpt #: 313 total cpu time spent up to now is 113.2 secs Computing kpt #: 314 total cpu time spent up to now is 113.5 secs Computing kpt #: 315 total cpu time spent up to now is 113.9 secs Computing kpt #: 316 total cpu time spent up to now is 114.2 secs Computing kpt #: 317 total cpu time spent up to now is 114.6 secs Computing kpt #: 318 total cpu time spent up to now is 114.9 secs Computing kpt #: 319 total cpu time spent up to now is 115.3 secs Computing kpt #: 320 total cpu time spent up to now is 115.7 secs Computing kpt #: 321 total cpu time spent up to now is 116.1 secs Computing kpt #: 322 total cpu time spent up to now is 116.5 secs Computing kpt #: 323 total cpu time spent up to now is 116.8 secs Computing kpt #: 324 total cpu time spent up to now is 117.2 secs Computing kpt #: 325 total cpu time spent up to now is 117.6 secs Computing kpt #: 326 total cpu time spent up to now is 118.0 secs Computing kpt #: 327 total cpu time spent up to now is 118.3 secs Computing kpt #: 328 total cpu time spent up to now is 118.7 secs Computing kpt #: 329 total cpu time spent up to now is 119.0 secs Computing kpt #: 330 total cpu time spent up to now is 119.3 secs Computing kpt #: 331 total cpu time spent up to now is 119.7 secs Computing kpt #: 332 total cpu time spent up to now is 120.0 secs Computing kpt #: 333 total cpu time spent up to now is 120.3 secs Computing kpt #: 334 total cpu time spent up to now is 120.6 secs Computing kpt #: 335 total cpu time spent up to now is 120.9 secs Computing kpt #: 336 total cpu time spent up to now is 121.2 secs Computing kpt #: 337 total cpu time spent up to now is 121.4 secs Computing kpt #: 338 total cpu time spent up to now is 121.7 secs Computing kpt #: 339 total cpu time spent up to now is 122.0 secs Computing kpt #: 340 total cpu time spent up to now is 122.3 secs Computing kpt #: 341 total cpu time spent up to now is 122.6 secs Computing kpt #: 342 total cpu time spent up to now is 122.9 secs Computing kpt #: 343 total cpu time spent up to now is 123.2 secs ethr = 2.94E-08, avg # of iterations = 24.1 total cpu time spent up to now is 123.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -3.7780 -3.7780 -1.8391 -1.8391 3.9555 3.9555 4.1288 4.1288 4.1592 4.1592 4.3072 4.3072 5.4332 5.4332 5.9917 5.9917 6.4474 6.4474 7.2055 7.2055 7.6735 7.6735 8.2424 8.2424 8.7020 8.7020 9.2432 9.2432 10.4065 10.4065 10.6483 10.6483 10.8458 10.8458 11.9416 11.9416 12.2358 12.2358 12.8674 12.8674 15.8526 15.8526 k = 0.0111 0.0064-0.0000 ( 2425 PWs) bands (ev): -3.7770 -3.7770 -1.8397 -1.8397 3.9568 3.9568 4.1284 4.1284 4.1602 4.1602 4.3084 4.3084 5.4328 5.4328 5.9912 5.9912 6.4467 6.4467 7.2047 7.2047 7.6730 7.6730 8.2415 8.2415 8.6967 8.6967 9.2343 9.2343 10.4056 10.4056 10.6483 10.6483 10.8634 10.8634 11.9340 11.9340 12.2272 12.2272 12.8833 12.8833 15.8545 15.8545 k = 0.0222 0.0128-0.0000 ( 2433 PWs) bands (ev): -3.7740 -3.7740 -1.8413 -1.8413 3.9606 3.9606 4.1272 4.1272 4.1634 4.1634 4.3119 4.3119 5.4315 5.4315 5.9896 5.9896 6.4449 6.4449 7.2022 7.2022 7.6715 7.6715 8.2387 8.2387 8.6805 8.6805 9.2096 9.2096 10.4028 10.4028 10.6499 10.6499 10.9130 10.9130 11.9112 11.9112 12.2053 12.2053 12.9278 12.9278 15.8600 15.8600 k = 0.0333 0.0192-0.0000 ( 2435 PWs) bands (ev): -3.7690 -3.7690 -1.8440 -1.8440 3.9669 3.9669 4.1253 4.1253 4.1686 4.1686 4.3180 4.3180 5.4293 5.4293 5.9870 5.9870 6.4418 6.4418 7.1982 7.1982 7.6690 7.6690 8.2338 8.2338 8.6527 8.6527 9.1741 9.1741 10.3981 10.3981 10.6553 10.6553 10.9877 10.9877 11.8734 11.8734 12.1776 12.1776 12.9932 12.9932 15.8686 15.8686 k = 0.0444 0.0257-0.0000 ( 2427 PWs) bands (ev): -3.7621 -3.7621 -1.8478 -1.8478 3.9755 3.9755 4.1225 4.1225 4.1758 4.1758 4.3266 4.3266 5.4262 5.4262 5.9834 5.9834 6.4373 6.4373 7.1927 7.1927 7.6651 7.6651 8.2266 8.2266 8.6128 8.6128 9.1338 9.1338 10.3915 10.3915 10.6654 10.6654 11.0801 11.0801 11.8232 11.8232 12.1500 12.1500 13.0727 13.0727 15.8795 15.8795 k = 0.0556 0.0321-0.0000 ( 2430 PWs) bands (ev): -3.7531 -3.7531 -1.8526 -1.8526 3.9864 3.9864 4.1189 4.1189 4.1848 4.1848 4.3380 4.3380 5.4222 5.4222 5.9788 5.9788 6.4315 6.4315 7.1859 7.1859 7.6598 7.6598 8.2166 8.2166 8.5612 8.5612 9.0937 9.0937 10.3829 10.3829 10.6800 10.6800 11.1819 11.1819 11.7667 11.7667 12.1250 12.1250 13.1611 13.1611 15.8919 15.8919 k = 0.0667 0.0385-0.0000 ( 2436 PWs) bands (ev): -3.7422 -3.7422 -1.8585 -1.8585 3.9993 3.9993 4.1145 4.1145 4.1956 4.1956 4.3523 4.3523 5.4172 5.4172 5.9733 5.9733 6.4243 6.4243 7.1778 7.1778 7.6526 7.6526 8.2027 8.2027 8.5007 8.5007 9.0569 9.0569 10.3723 10.3723 10.6987 10.6987 11.2798 11.2798 11.7166 11.7166 12.1027 12.1027 13.2550 13.2550 15.9050 15.9050 k = 0.0778 0.0449-0.0000 ( 2442 PWs) bands (ev): -3.7294 -3.7294 -1.8653 -1.8653 4.0140 4.0140 4.1091 4.1091 4.2082 4.2082 4.3698 4.3698 5.4112 5.4112 5.9669 5.9669 6.4156 6.4156 7.1688 7.1688 7.6430 7.6430 8.1830 8.1830 8.4364 8.4364 9.0242 9.0242 10.3595 10.3595 10.7210 10.7210 11.3457 11.3457 11.7005 11.7005 12.0828 12.0828 13.3519 13.3519 15.9179 15.9179 k = 0.0889 0.0513-0.0000 ( 2446 PWs) bands (ev): -3.7146 -3.7146 -1.8731 -1.8731 4.0300 4.0300 4.1028 4.1028 4.2226 4.2226 4.3906 4.3906 5.4040 5.4040 5.9597 5.9597 6.4053 6.4053 7.1589 7.1589 7.6302 7.6302 8.1544 8.1544 8.3755 8.3755 8.9948 8.9948 10.3444 10.3444 10.7466 10.7466 11.3447 11.3447 11.7523 11.7523 12.0654 12.0654 13.4500 13.4500 15.9308 15.9308 k = 0.1000 0.0577-0.0000 ( 2452 PWs) bands (ev): -3.6980 -3.6980 -1.8817 -1.8817 4.0469 4.0469 4.0956 4.0956 4.2390 4.2390 4.4147 4.4147 5.3957 5.3957 5.9517 5.9517 6.3933 6.3933 7.1484 7.1484 7.6131 7.6131 8.1141 8.1141 8.3250 8.3250 8.9676 8.9676 10.3270 10.3270 10.7748 10.7748 11.2899 11.2899 11.8561 11.8561 12.0529 12.0529 13.5478 13.5478 15.9439 15.9439 k = 0.1111 0.0642-0.0000 ( 2448 PWs) bands (ev): -3.6796 -3.6796 -1.8913 -1.8913 4.0631 4.0631 4.0882 4.0882 4.2577 4.2577 4.4422 4.4422 5.3860 5.3860 5.9431 5.9431 6.3797 6.3797 7.1373 7.1373 7.5903 7.5903 8.0636 8.0636 8.2878 8.2878 8.9414 8.9414 10.3069 10.3069 10.8053 10.8053 11.2115 11.2115 11.9624 11.9624 12.0641 12.0641 13.6439 13.6439 15.9581 15.9581 k = 0.1222 0.0706-0.0000 ( 2458 PWs) bands (ev): -3.6593 -3.6593 -1.9016 -1.9016 4.0704 4.0704 4.0885 4.0885 4.2792 4.2792 4.4731 4.4731 5.3749 5.3749 5.9340 5.9340 6.3643 6.3643 7.1260 7.1260 7.5604 7.5604 8.0095 8.0095 8.2611 8.2611 8.9153 8.9153 10.2840 10.2840 10.8376 10.8376 11.1231 11.1231 11.9912 11.9912 12.1650 12.1650 13.7368 13.7368 15.9750 15.9750 k = 0.1333 0.0770-0.0000 ( 2460 PWs) bands (ev): -3.6373 -3.6373 -1.9127 -1.9127 4.0619 4.0619 4.1025 4.1025 4.3038 4.3038 4.5073 4.5073 5.3621 5.3621 5.9244 5.9244 6.3473 6.3473 7.1144 7.1144 7.5225 7.5225 7.9591 7.9591 8.2408 8.2408 8.8885 8.8885 10.2581 10.2581 10.8706 10.8706 11.0305 11.0305 11.9853 11.9853 12.3074 12.3074 13.8253 13.8253 15.9960 15.9960 k = 0.1444 0.0834-0.0000 ( 2460 PWs) bands (ev): -3.6136 -3.6136 -1.9246 -1.9246 4.0493 4.0493 4.1180 4.1180 4.3318 4.3318 4.5447 4.5447 5.3476 5.3476 5.9144 5.9144 6.3288 6.3288 7.1025 7.1025 7.4768 7.4768 7.9165 7.9165 8.2239 8.2239 8.8605 8.8605 10.2289 10.2289 10.8959 10.8959 10.9440 10.9440 11.9761 11.9761 12.4574 12.4574 13.9079 13.9079 16.0223 16.0223 k = 0.1556 0.0898-0.0000 ( 2460 PWs) bands (ev): -3.5882 -3.5882 -1.9371 -1.9371 4.0346 4.0346 4.1325 4.1325 4.3636 4.3636 4.5851 4.5851 5.3311 5.3311 5.9043 5.9043 6.3090 6.3090 7.0902 7.0902 7.4254 7.4254 7.8828 7.8828 8.2088 8.2088 8.8308 8.8308 10.1960 10.1960 10.8289 10.8289 10.9492 10.9492 11.9676 11.9676 12.6094 12.6094 13.9835 13.9835 16.0547 16.0547 k = 0.1667 0.0962-0.0000 ( 2460 PWs) bands (ev): -3.5612 -3.5612 -1.9502 -1.9502 4.0178 4.0178 4.1458 4.1458 4.3990 4.3990 4.6284 4.6284 5.3125 5.3125 5.8941 5.8941 6.2883 6.2883 7.0772 7.0772 7.3716 7.3716 7.8572 7.8572 8.1946 8.1946 8.7994 8.7994 10.1592 10.1592 10.7322 10.7322 10.9837 10.9837 11.9607 11.9607 12.7615 12.7615 14.0511 14.0511 16.0914 16.0914 k = 0.1778 0.1026-0.0000 ( 2458 PWs) bands (ev): -3.5327 -3.5327 -1.9638 -1.9638 3.9987 3.9987 4.1576 4.1576 4.4380 4.4380 4.6743 4.6743 5.2917 5.2917 5.8840 5.8840 6.2671 6.2671 7.0627 7.0627 7.3188 7.3188 7.8379 7.8379 8.1807 8.1807 8.7661 8.7661 10.1179 10.1179 10.6340 10.6340 11.0197 11.0197 11.9560 11.9560 12.9124 12.9124 14.1099 14.1099 16.1220 16.1220 k = 0.1889 0.1091-0.0000 ( 2460 PWs) bands (ev): -3.5027 -3.5027 -1.9780 -1.9780 3.9774 3.9774 4.1681 4.1681 4.4803 4.4803 4.7227 4.7227 5.2686 5.2686 5.8741 5.8741 6.2461 6.2461 7.0460 7.0460 7.2705 7.2705 7.8233 7.8233 8.1666 8.1666 8.7310 8.7310 10.0717 10.0717 10.5359 10.5359 11.0555 11.0555 11.9534 11.9534 13.0611 13.0611 14.1597 14.1597 16.1092 16.1092 k = 0.2000 0.1155-0.0000 ( 2456 PWs) bands (ev): -3.4713 -3.4713 -1.9926 -1.9926 3.9534 3.9534 4.1773 4.1773 4.5256 4.5256 4.7733 4.7733 5.2434 5.2434 5.8646 5.8646 6.2260 6.2260 7.0260 7.0260 7.2293 7.2293 7.8121 7.8121 8.1521 8.1521 8.6942 8.6942 10.0201 10.0201 10.4389 10.4389 11.0908 11.0908 11.9533 11.9533 13.2067 13.2067 14.2005 14.2005 16.0258 16.0258 k = 0.2111 0.1219-0.0000 ( 2456 PWs) bands (ev): -3.4386 -3.4386 -2.0076 -2.0076 3.9267 3.9267 4.1854 4.1854 4.5736 4.5736 4.8258 4.8258 5.2163 5.2163 5.8556 5.8556 6.2077 6.2077 7.0021 7.0021 7.1969 7.1969 7.8034 7.8034 8.1367 8.1367 8.6560 8.6560 9.9625 9.9625 10.3433 10.3433 11.1249 11.1249 11.9554 11.9554 13.3484 13.3484 14.2330 14.2330 15.9142 15.9142 k = 0.2222 0.1283-0.0000 ( 2460 PWs) bands (ev): -3.4047 -3.4047 -2.0230 -2.0230 3.8971 3.8971 4.1925 4.1925 4.6238 4.6238 4.8796 4.8796 5.1879 5.1879 5.8472 5.8472 6.1918 6.1918 6.9748 6.9748 7.1734 7.1734 7.7964 7.7964 8.1201 8.1201 8.6169 8.6169 9.8984 9.8984 10.2498 10.2498 11.1576 11.1576 11.9599 11.9599 13.4854 13.4854 14.2579 14.2579 15.7998 15.7998 k = 0.2333 0.1347-0.0000 ( 2456 PWs) bands (ev): -3.3697 -3.3697 -2.0386 -2.0386 3.8644 3.8644 4.1987 4.1987 4.6759 4.6759 4.9337 4.9337 5.1595 5.1595 5.8398 5.8398 6.1792 6.1792 6.9456 6.9456 7.1574 7.1574 7.7908 7.7908 8.1020 8.1020 8.5772 8.5772 9.8278 9.8278 10.1586 10.1586 11.1886 11.1886 11.9667 11.9667 13.6169 13.6169 14.2763 14.2763 15.6897 15.6897 k = 0.2444 0.1411-0.0000 ( 2452 PWs) bands (ev): -3.3336 -3.3336 -2.0546 -2.0546 3.8286 3.8286 4.2041 4.2041 4.7293 4.7293 4.9855 4.9855 5.1341 5.1341 5.8335 5.8335 6.1705 6.1705 6.9164 6.9164 7.1470 7.1470 7.7861 7.7861 8.0819 8.0819 8.5375 8.5375 9.7506 9.7506 10.0696 10.0696 11.2175 11.2175 11.9757 11.9757 13.7418 13.7418 14.2893 14.2893 15.5861 15.5861 k = 0.2556 0.1475-0.0000 ( 2452 PWs) bands (ev): -3.2966 -3.2966 -2.0707 -2.0707 3.7895 3.7895 4.2087 4.2087 4.7832 4.7832 5.0242 5.0242 5.1231 5.1231 5.8289 5.8289 6.1661 6.1661 6.8885 6.8885 7.1407 7.1407 7.7820 7.7820 8.0594 8.0594 8.4985 8.4985 9.6673 9.6673 9.9823 9.9823 11.2442 11.2442 11.9867 11.9867 13.8594 13.8594 14.2981 14.2981 15.4901 15.4901 k = 0.2667 0.1540-0.0000 ( 2454 PWs) bands (ev): -3.2588 -3.2588 -2.0871 -2.0871 3.7474 3.7474 4.2125 4.2125 4.8362 4.8362 5.0285 5.0285 5.1488 5.1488 5.8265 5.8265 6.1663 6.1663 6.8627 6.8627 7.1373 7.1373 7.7783 7.7783 8.0340 8.0340 8.4608 8.4608 9.5789 9.5789 9.8961 9.8961 11.2685 11.2685 11.9996 11.9996 13.9686 13.9686 14.3038 14.3038 15.4019 15.4019 k = 0.2778 0.1604-0.0000 ( 2446 PWs) bands (ev): -3.2203 -3.2203 -2.1037 -2.1037 3.7023 3.7023 4.2157 4.2157 4.8849 4.8849 5.0133 5.0133 5.1994 5.1994 5.8270 5.8270 6.1712 6.1712 6.8396 6.8396 7.1360 7.1360 7.7747 7.7747 8.0055 8.0055 8.4251 8.4251 9.4863 9.4863 9.8099 9.8099 11.2903 11.2903 12.0142 12.0142 14.0684 14.0684 14.3076 14.3076 15.3217 15.3217 k = 0.2889 0.1668-0.0000 ( 2446 PWs) bands (ev): -3.1812 -3.1812 -2.1204 -2.1204 3.6545 3.6545 4.2183 4.2183 4.9178 4.9178 5.0073 5.0073 5.2571 5.2571 5.8313 5.8313 6.1808 6.1808 6.8194 6.8194 7.1364 7.1364 7.7706 7.7706 7.9738 7.9738 8.3919 8.3919 9.3907 9.3907 9.7231 9.7231 11.3095 11.3095 12.0304 12.0304 14.1573 14.1573 14.3111 14.3111 15.2494 15.2494 k = 0.3000 0.1732-0.0000 ( 2452 PWs) bands (ev): -3.1416 -3.1416 -2.1373 -2.1373 3.6043 3.6043 4.2203 4.2203 4.9175 4.9175 5.0319 5.0319 5.3168 5.3168 5.8404 5.8404 6.1951 6.1951 6.8021 6.8021 7.1379 7.1379 7.7655 7.7655 7.9394 7.9394 8.3615 8.3615 9.2930 9.2930 9.6351 9.6351 11.3263 11.3263 12.0478 12.0478 14.2312 14.2312 14.3186 14.3186 15.1846 15.1846 k = 0.3111 0.1796-0.0000 ( 2456 PWs) bands (ev): -3.1018 -3.1018 -2.1543 -2.1543 3.5523 3.5523 4.2219 4.2219 4.8987 4.8987 5.0728 5.0728 5.3772 5.3772 5.8553 5.8553 6.2140 6.2140 6.7878 6.7878 7.1403 7.1403 7.7581 7.7581 7.9035 7.9035 8.3340 8.3340 9.1940 9.1940 9.5453 9.5453 11.3406 11.3406 12.0663 12.0663 14.2760 14.2760 14.3445 14.3445 15.1270 15.1270 k = 0.3222 0.1860-0.0000 ( 2452 PWs) bands (ev): -3.0617 -3.0617 -2.1715 -2.1715 3.4989 3.4989 4.2229 4.2229 4.8761 4.8761 5.1148 5.1148 5.4376 5.4376 5.8770 5.8770 6.2371 6.2371 6.7767 6.7767 7.1433 7.1433 7.7459 7.7459 7.8688 7.8688 8.3091 8.3091 9.0944 9.0944 9.4537 9.4537 11.3526 11.3526 12.0856 12.0856 14.2892 14.2892 14.3917 14.3917 15.0760 15.0760 k = 0.3333 0.1925-0.0000 ( 2452 PWs) bands (ev): -3.0216 -3.0216 -2.1888 -2.1888 3.4447 3.4447 4.2236 4.2236 4.8537 4.8537 5.1531 5.1531 5.4978 5.4978 5.9060 5.9060 6.2645 6.2645 6.7688 6.7688 7.1468 7.1468 7.7248 7.7248 7.8400 7.8400 8.2865 8.2865 8.9950 8.9950 9.3602 9.3602 11.3626 11.3626 12.1053 12.1053 14.2930 14.2930 14.4388 14.4388 15.0311 15.0311 k = 0.3444 0.1989-0.0000 ( 2454 PWs) bands (ev): -2.9816 -2.9816 -2.2063 -2.2063 3.3903 3.3903 4.2239 4.2239 4.8325 4.8325 5.1859 5.1859 5.5579 5.5579 5.9424 5.9424 6.2958 6.2958 6.7643 6.7643 7.1507 7.1507 7.6916 7.6916 7.8204 7.8204 8.2655 8.2655 8.8964 8.8964 9.2652 9.2652 11.3707 11.3707 12.1254 12.1254 14.2950 14.2950 14.4787 14.4787 14.9916 14.9916 k = 0.3556 0.2053-0.0000 ( 2454 PWs) bands (ev): -2.9419 -2.9419 -2.2240 -2.2240 3.3365 3.3365 4.2239 4.2239 4.8129 4.8129 5.2127 5.2127 5.6177 5.6177 5.9856 5.9856 6.3309 6.3309 6.7634 6.7634 7.1547 7.1547 7.6484 7.6484 7.8089 7.8089 8.2454 8.2454 8.7993 8.7993 9.1688 9.1688 11.3771 11.3771 12.1454 12.1454 14.2970 14.2970 14.5108 14.5108 14.9571 14.9571 k = 0.3667 0.2117-0.0000 ( 2458 PWs) bands (ev): -2.9025 -2.9025 -2.2419 -2.2419 3.2837 3.2837 4.2236 4.2236 4.7952 4.7952 5.2335 5.2335 5.6771 5.6771 6.0348 6.0348 6.3695 6.3695 6.7665 6.7665 7.1587 7.1587 7.5990 7.5990 7.8020 7.8020 8.2253 8.2253 8.7045 8.7045 9.0718 9.0718 11.3820 11.3820 12.1650 12.1650 14.2996 14.2996 14.5352 14.5352 14.9269 14.9269 k = 0.3778 0.2181-0.0000 ( 2456 PWs) bands (ev): -2.8636 -2.8636 -2.2601 -2.2601 3.2327 3.2327 4.2232 4.2232 4.7792 4.7792 5.2490 5.2490 5.7357 5.7357 6.0885 6.0885 6.4111 6.4111 6.7739 6.7739 7.1626 7.1626 7.5462 7.5462 7.7974 7.7974 8.2039 8.2039 8.6133 8.6133 8.9748 8.9748 11.3858 11.3858 12.1841 12.1841 14.3030 14.3030 14.5525 14.5525 14.9008 14.9008 k = 0.3889 0.2245-0.0000 ( 2456 PWs) bands (ev): -2.8254 -2.8254 -2.2787 -2.2787 3.1839 3.1839 4.2226 4.2226 4.7650 4.7650 5.2600 5.2600 5.7926 5.7926 6.1454 6.1454 6.4553 6.4553 6.7862 6.7862 7.1662 7.1662 7.4920 7.4920 7.7937 7.7937 8.1798 8.1798 8.5272 8.5272 8.8788 8.8788 11.3886 11.3886 12.2024 12.2024 14.3075 14.3075 14.5636 14.5636 14.8783 14.8783 k = 0.4000 0.2309-0.0000 ( 2462 PWs) bands (ev): -2.7879 -2.7879 -2.2976 -2.2976 3.1381 3.1381 4.2219 4.2219 4.7525 4.7525 5.2675 5.2675 5.8470 5.8470 6.2042 6.2042 6.5013 6.5013 6.8038 6.8038 7.1693 7.1693 7.4377 7.4377 7.7902 7.7902 8.1507 8.1507 8.4481 8.4481 8.7852 8.7852 11.3906 11.3906 12.2197 12.2197 14.3131 14.3131 14.5690 14.5690 14.8595 14.8595 k = 0.4111 0.2374-0.0000 ( 2460 PWs) bands (ev): -2.7514 -2.7514 -2.3170 -2.3170 3.0956 3.0956 4.2211 4.2211 4.7416 4.7416 5.2723 5.2723 5.8981 5.8981 6.2636 6.2636 6.5483 6.5483 6.8271 6.8271 7.1714 7.1714 7.3850 7.3850 7.7861 7.7861 8.1144 8.1144 8.3780 8.3780 8.6959 8.6959 11.3919 11.3919 12.2357 12.2357 14.3197 14.3197 14.5694 14.5694 14.8440 14.8440 k = 0.4222 0.2438-0.0000 ( 2462 PWs) bands (ev): -2.7158 -2.7158 -2.3370 -2.3370 3.0569 3.0569 4.2204 4.2204 4.7321 4.7321 5.2752 5.2752 5.9448 5.9448 6.3224 6.3224 6.5953 6.5953 6.8556 6.8556 7.1714 7.1714 7.3360 7.3360 7.7806 7.7806 8.0703 8.0703 8.3177 8.3177 8.6132 8.6132 11.3927 11.3927 12.2502 12.2502 14.3274 14.3274 14.5655 14.5655 14.8317 14.8317 k = 0.4333 0.2502-0.0000 ( 2464 PWs) bands (ev): -2.6812 -2.6812 -2.3576 -2.3576 3.0226 3.0226 4.2196 4.2196 4.7242 4.7242 5.2766 5.2766 5.9863 5.9863 6.3797 6.3797 6.6413 6.6413 6.8884 6.8884 7.1667 7.1667 7.2951 7.2951 7.7725 7.7725 8.0204 8.0204 8.2651 8.2651 8.5403 8.5403 11.3932 11.3932 12.2632 12.2632 14.3359 14.3359 14.5582 14.5582 14.8223 14.8223 k = 0.4444 0.2566-0.0000 ( 2456 PWs) bands (ev): -2.6479 -2.6479 -2.3789 -2.3789 2.9928 2.9928 4.2190 4.2190 4.7175 4.7175 5.2772 5.2772 6.0220 6.0220 6.4343 6.4343 6.6849 6.6849 6.9229 6.9229 7.1526 7.1526 7.2692 7.2692 7.7597 7.7597 7.9702 7.9702 8.2162 8.2162 8.4805 8.4805 11.3935 11.3935 12.2744 12.2744 14.3451 14.3451 14.5486 14.5486 14.8154 14.8154 k = 0.4556 0.2630-0.0000 ( 2456 PWs) bands (ev): -2.6157 -2.6157 -2.4010 -2.4010 2.9681 2.9681 4.2184 4.2184 4.7122 4.7122 5.2773 5.2773 6.0515 6.0515 6.4851 6.4851 6.7245 6.7245 6.9553 6.9553 7.1282 7.1282 7.2624 7.2624 7.7399 7.7399 7.9265 7.9265 8.1687 8.1687 8.4354 8.4354 11.3936 11.3936 12.2837 12.2837 14.3546 14.3546 14.5376 14.5376 14.8105 14.8105 k = 0.4667 0.2694-0.0000 ( 2460 PWs) bands (ev): -2.5847 -2.5847 -2.4240 -2.4240 2.9485 2.9485 4.2179 4.2179 4.7081 4.7081 5.2771 5.2771 6.0744 6.0744 6.5305 6.5305 6.7576 6.7576 6.9812 6.9812 7.1012 7.1012 7.2703 7.2703 7.7123 7.7123 7.8944 7.8944 8.1242 8.1242 8.4042 8.4042 11.3936 11.3936 12.2911 12.2911 14.3638 14.3638 14.5265 14.5265 14.8072 14.8072 k = 0.4778 0.2758-0.0000 ( 2460 PWs) bands (ev): -2.5549 -2.5549 -2.4480 -2.4480 2.9344 2.9344 4.2175 4.2175 4.7052 4.7052 5.2768 5.2768 6.0908 6.0908 6.5680 6.5680 6.7814 6.7814 6.9978 6.9978 7.0796 7.0796 7.2862 7.2862 7.6815 7.6815 7.8743 7.8743 8.0871 8.0871 8.3844 8.3844 11.3935 11.3935 12.2964 12.2964 14.3718 14.3718 14.5168 14.5168 14.8051 14.8051 k = 0.4889 0.2823-0.0000 ( 2460 PWs) bands (ev): -2.5264 -2.5264 -2.4730 -2.4730 2.9259 2.9259 4.2173 4.2173 4.7035 4.7035 5.2766 5.2766 6.1006 6.1006 6.5938 6.5938 6.7944 6.7944 7.0058 7.0058 7.0670 7.0670 7.3019 7.3019 7.6563 7.6563 7.8638 7.8638 8.0625 8.0625 8.3736 8.3736 11.3935 11.3935 12.2996 12.2996 14.3774 14.3774 14.5099 14.5099 14.8039 14.8039 k = 0.5000 0.2887-0.0000 ( 2462 PWs) bands (ev): -2.4997 -2.4997 -2.4986 -2.4986 2.9230 2.9230 4.2172 4.2172 4.7029 4.7029 5.2765 5.2765 6.1038 6.1038 6.6032 6.6032 6.7982 6.7982 7.0080 7.0080 7.0630 7.0630 7.3086 7.3086 7.6464 7.6464 7.8605 7.8605 8.0538 8.0538 8.3702 8.3702 11.3935 11.3935 12.3007 12.3007 14.3795 14.3795 14.5075 14.5075 14.8036 14.8036 k = 0.5000 0.2887-0.0000 ( 2462 PWs) bands (ev): -2.4997 -2.4997 -2.4986 -2.4986 2.9230 2.9230 4.2172 4.2172 4.7029 4.7029 5.2765 5.2765 6.1038 6.1038 6.6032 6.6032 6.7982 6.7982 7.0080 7.0080 7.0630 7.0630 7.3086 7.3086 7.6464 7.6464 7.8605 7.8605 8.0538 8.0538 8.3702 8.3702 11.3935 11.3935 12.3007 12.3007 14.3795 14.3795 14.5075 14.5075 14.8036 14.8036 k = 0.4936 0.2998-0.0000 ( 2460 PWs) bands (ev): -2.5003 -2.5003 -2.4975 -2.4975 2.9231 2.9231 4.2171 4.2171 4.7027 4.7027 5.2773 5.2773 6.1030 6.1030 6.5917 6.5917 6.8009 6.8009 6.9796 6.9796 7.0902 7.0902 7.3156 7.3156 7.6475 7.6475 7.8622 7.8622 8.0575 8.0575 8.3718 8.3718 11.3895 11.3895 12.2864 12.2864 14.3914 14.3914 14.5093 14.5093 14.7948 14.7948 k = 0.4872 0.3109-0.0000 ( 2460 PWs) bands (ev): -2.5008 -2.5008 -2.4956 -2.4956 2.9233 2.9233 4.2169 4.2169 4.7020 4.7020 5.2798 5.2798 6.1006 6.1006 6.5592 6.5592 6.8084 6.8084 6.9345 6.9345 7.1315 7.1315 7.3353 7.3353 7.6507 7.6507 7.8672 7.8672 8.0686 8.0686 8.3769 8.3769 11.3776 11.3776 12.2450 12.2450 14.4221 14.4221 14.5157 14.5157 14.7728 14.7728 k = 0.4808 0.3220-0.0000 ( 2468 PWs) bands (ev): -2.5011 -2.5011 -2.4931 -2.4931 2.9236 2.9236 4.2165 4.2165 4.7008 4.7008 5.2838 5.2838 6.0965 6.0965 6.5102 6.5102 6.8195 6.8195 6.8890 6.8890 7.1710 7.1710 7.3644 7.3644 7.6559 7.6559 7.8755 7.8755 8.0866 8.0866 8.3860 8.3860 11.3577 11.3577 12.1798 12.1798 14.4531 14.4531 14.5304 14.5304 14.7535 14.7535 k = 0.4744 0.3331-0.0000 ( 2472 PWs) bands (ev): -2.5010 -2.5010 -2.4900 -2.4900 2.9240 2.9240 4.2160 4.2160 4.6992 4.6992 5.2894 5.2894 6.0907 6.0907 6.4498 6.4498 6.8206 6.8206 6.8583 6.8583 7.2060 7.2060 7.3987 7.3987 7.6630 7.6630 7.8869 7.8869 8.1105 8.1105 8.4002 8.4002 11.3297 11.3297 12.0953 12.0953 14.4550 14.4550 14.5511 14.5511 14.7689 14.7689 k = 0.4679 0.3442-0.0000 ( 2462 PWs) bands (ev): -2.5006 -2.5006 -2.4864 -2.4864 2.9245 2.9245 4.2155 4.2155 4.6970 4.6970 5.2964 5.2964 6.0830 6.0830 6.3829 6.3829 6.7836 6.7836 6.8707 6.8707 7.2360 7.2360 7.4347 7.4347 7.6717 7.6717 7.9017 7.9017 8.1386 8.1386 8.4208 8.4208 11.2933 11.2933 11.9963 11.9963 14.4191 14.4191 14.5661 14.5661 14.8400 14.8400 k = 0.4615 0.3553-0.0000 ( 2462 PWs) bands (ev): -2.4999 -2.4999 -2.4822 -2.4822 2.9250 2.9250 4.2148 4.2148 4.6942 4.6942 5.3047 5.3047 6.0725 6.0725 6.3136 6.3136 6.7385 6.7385 6.8962 6.8962 7.2610 7.2610 7.4691 7.4691 7.6818 7.6818 7.9204 7.9204 8.1686 8.1686 8.4493 8.4493 11.2484 11.2484 11.8866 11.8866 14.3568 14.3568 14.5812 14.5812 14.9498 14.9498 k = 0.4551 0.3664-0.0000 ( 2454 PWs) bands (ev): -2.4990 -2.4990 -2.4776 -2.4776 2.9255 2.9255 4.2142 4.2142 4.6906 4.6906 5.3142 5.3142 6.0574 6.0574 6.2468 6.2468 6.6932 6.6932 6.9267 6.9267 7.2817 7.2817 7.5000 7.5000 7.6927 7.6927 7.9434 7.9434 8.1986 8.1986 8.4871 8.4871 11.1948 11.1948 11.7699 11.7699 14.2819 14.2819 14.6001 14.6001 15.0807 15.0807 k = 0.4487 0.3775-0.0000 ( 2450 PWs) bands (ev): -2.4978 -2.4978 -2.4725 -2.4725 2.9258 2.9258 4.2136 4.2136 4.6863 4.6863 5.3247 5.3247 6.0333 6.0333 6.1887 6.1887 6.6491 6.6491 6.9608 6.9608 7.2986 7.2986 7.5262 7.5262 7.7036 7.7036 7.9707 7.9707 8.2277 8.2277 8.5340 8.5340 11.1324 11.1324 11.6487 11.6487 14.2028 14.2028 14.6225 14.6225 15.2243 15.2243 k = 0.4423 0.3886-0.0000 ( 2450 PWs) bands (ev): -2.4964 -2.4964 -2.4669 -2.4669 2.9261 2.9261 4.2130 4.2130 4.6810 4.6810 5.3359 5.3359 5.9950 5.9950 6.1464 6.1464 6.6064 6.6064 6.9980 6.9980 7.3125 7.3125 7.5477 7.5477 7.7137 7.7137 8.0014 8.0014 8.2568 8.2568 8.5889 8.5889 11.0612 11.0612 11.5252 11.5252 14.1237 14.1237 14.6478 14.6478 15.3761 15.3761 k = 0.4359 0.3997-0.0000 ( 2456 PWs) bands (ev): -2.4948 -2.4948 -2.4611 -2.4611 2.9261 2.9261 4.2126 4.2126 4.6748 4.6748 5.3474 5.3474 5.9433 5.9433 6.1206 6.1206 6.5655 6.5655 7.0376 7.0376 7.3240 7.3240 7.5651 7.5651 7.7224 7.7224 8.0333 8.0333 8.2882 8.2882 8.6500 8.6500 10.9814 10.9814 11.4010 11.4010 14.0473 14.0473 14.6757 14.6757 15.5334 15.5334 k = 0.4295 0.4108-0.0000 ( 2460 PWs) bands (ev): -2.4929 -2.4929 -2.4550 -2.4550 2.9258 2.9258 4.2124 4.2124 4.6674 4.6674 5.3589 5.3589 5.8855 5.8855 6.1052 6.1052 6.5267 6.5267 7.0790 7.0790 7.3340 7.3340 7.5794 7.5794 7.7293 7.7293 8.0638 8.0638 8.3247 8.3247 8.7153 8.7153 10.8933 10.8933 11.2772 11.2772 13.9750 13.9750 14.7056 14.7056 15.6944 15.6944 k = 0.4231 0.4219-0.0000 ( 2468 PWs) bands (ev): -2.4909 -2.4909 -2.4488 -2.4488 2.9253 2.9253 4.2123 4.2123 4.6588 4.6588 5.3696 5.3696 5.8278 5.8278 6.0954 6.0954 6.4902 6.4902 7.1214 7.1214 7.3429 7.3429 7.5914 7.5914 7.7345 7.7345 8.0902 8.0902 8.3685 8.3685 8.7829 8.7829 10.7980 10.7980 11.1544 11.1544 13.9076 13.9076 14.7371 14.7371 15.8573 15.8573 k = 0.4167 0.4330-0.0000 ( 2470 PWs) bands (ev): -2.4885 -2.4885 -2.4425 -2.4425 2.9243 2.9243 4.2125 4.2125 4.6488 4.6488 5.3790 5.3790 5.7741 5.7741 6.0886 6.0886 6.4562 6.4562 7.1639 7.1639 7.3516 7.3516 7.6021 7.6021 7.7382 7.7382 8.1112 8.1112 8.4205 8.4205 8.8514 8.8514 10.6965 10.6965 11.0329 11.0329 13.8458 13.8458 14.7697 14.7697 16.0208 16.0208 k = 0.4103 0.4441-0.0000 ( 2470 PWs) bands (ev): -2.4860 -2.4860 -2.4362 -2.4362 2.9229 2.9229 4.2130 4.2130 4.6376 4.6376 5.3859 5.3859 5.7266 5.7266 6.0837 6.0837 6.4249 6.4249 7.2052 7.2052 7.3612 7.3612 7.6120 7.6120 7.7405 7.7405 8.1269 8.1269 8.4803 8.4803 8.9197 8.9197 10.5906 10.5906 10.9125 10.9125 13.7896 13.7896 14.8031 14.8031 16.1835 16.1835 k = 0.4038 0.4552-0.0000 ( 2466 PWs) bands (ev): -2.4832 -2.4832 -2.4302 -2.4302 2.9210 2.9210 4.2137 4.2137 4.6251 4.6251 5.3894 5.3894 5.6871 5.6871 6.0802 6.0802 6.3965 6.3965 7.2432 7.2432 7.3734 7.3734 7.6216 7.6216 7.7417 7.7417 8.1382 8.1382 8.5465 8.5465 8.9869 8.9869 10.4818 10.4818 10.7930 10.7930 13.7392 13.7392 14.8364 14.8364 16.3442 16.3442 k = 0.3974 0.4663-0.0000 ( 2466 PWs) bands (ev): -2.4801 -2.4801 -2.4245 -2.4245 2.9187 2.9187 4.2147 4.2147 4.6115 4.6115 5.3885 5.3885 5.6569 5.6569 6.0777 6.0777 6.3712 6.3712 7.2750 7.2750 7.3908 7.3908 7.6313 7.6313 7.7420 7.7420 8.1461 8.1461 8.6177 8.6177 9.0523 9.0523 10.3721 10.3721 10.6740 10.6740 13.6944 13.6944 14.8693 14.8693 16.5013 16.5013 k = 0.3910 0.4774-0.0000 ( 2468 PWs) bands (ev): -2.4768 -2.4768 -2.4192 -2.4192 2.9159 2.9159 4.2160 4.2160 4.5970 4.5970 5.3830 5.3830 5.6360 5.6360 6.0760 6.0760 6.3491 6.3491 7.2980 7.2980 7.4152 7.4152 7.6412 7.6412 7.7417 7.7417 8.1514 8.1514 8.6929 8.6929 9.1155 9.1155 10.2632 10.2632 10.5557 10.5557 13.6551 13.6551 14.9010 14.9010 16.6533 16.6533 k = 0.3846 0.4885-0.0000 ( 2464 PWs) bands (ev): -2.4733 -2.4733 -2.4145 -2.4145 2.9127 2.9127 4.2175 4.2175 4.5821 4.5821 5.3737 5.3737 5.6236 5.6236 6.0750 6.0750 6.3303 6.3303 7.3127 7.3127 7.4458 7.4458 7.6516 7.6516 7.7407 7.7407 8.1549 8.1549 8.7709 8.7709 9.1759 9.1759 10.1568 10.1568 10.4380 10.4380 13.6210 13.6210 14.9310 14.9310 16.7984 16.7984 k = 0.3782 0.4996-0.0000 ( 2472 PWs) bands (ev): -2.4695 -2.4695 -2.4105 -2.4105 2.9092 2.9092 4.2192 4.2192 4.5670 4.5670 5.3622 5.3622 5.6175 5.6175 6.0744 6.0744 6.3149 6.3149 7.3217 7.3217 7.4791 7.4791 7.6625 7.6625 7.7391 7.7391 8.1569 8.1569 8.8510 8.8510 9.2332 9.2332 10.0544 10.0544 10.3214 10.3214 13.5917 13.5917 14.9587 14.9587 16.9343 16.9343 k = 0.3718 0.5107-0.0000 ( 2474 PWs) bands (ev): -2.4656 -2.4656 -2.4073 -2.4073 2.9054 2.9054 4.2209 4.2209 4.5524 4.5524 5.3503 5.3503 5.6157 5.6157 6.0743 6.0743 6.3028 6.3028 7.3274 7.3274 7.5125 7.5125 7.6737 7.6737 7.7371 7.7371 8.1579 8.1579 8.9325 8.9325 9.2869 9.2869 9.9578 9.9578 10.2067 10.2067 13.5670 13.5670 14.9835 14.9835 17.0586 17.0586 k = 0.3654 0.5218-0.0000 ( 2478 PWs) bands (ev): -2.4615 -2.4615 -2.4050 -2.4050 2.9016 2.9016 4.2226 4.2226 4.5389 4.5389 5.3392 5.3392 5.6162 5.6162 6.0743 6.0743 6.2939 6.2939 7.3311 7.3311 7.5440 7.5440 7.6846 7.6846 7.7346 7.7346 8.1581 8.1581 9.0147 9.0147 9.3364 9.3364 9.8686 9.8686 10.0949 10.0949 13.5468 13.5468 15.0051 15.0051 17.1686 17.1686 k = 0.3590 0.5329-0.0000 ( 2478 PWs) bands (ev): -2.4572 -2.4572 -2.4036 -2.4036 2.8978 2.8978 4.2242 4.2242 4.5269 4.5269 5.3299 5.3299 5.6178 5.6178 6.0745 6.0745 6.2878 6.2878 7.3337 7.3337 7.5729 7.5729 7.6942 7.6942 7.7318 7.7318 8.1579 8.1579 9.0964 9.0964 9.3809 9.3809 9.7885 9.7885 9.9880 9.9880 13.5306 13.5306 15.0230 15.0230 17.2614 17.2614 k = 0.3526 0.5440-0.0000 ( 2478 PWs) bands (ev): -2.4531 -2.4531 -2.4033 -2.4033 2.8945 2.8945 4.2255 4.2255 4.5170 4.5170 5.3226 5.3226 5.6195 5.6195 6.0748 6.0748 6.2842 6.2842 7.3356 7.3356 7.5988 7.5988 7.7009 7.7009 7.7288 7.7288 8.1574 8.1574 9.1760 9.1760 9.4187 9.4187 9.7192 9.7192 9.8894 9.8894 13.5183 13.5183 15.0371 15.0371 17.3343 17.3343 k = 0.3462 0.5551-0.0000 ( 2486 PWs) bands (ev): -2.4492 -2.4492 -2.4038 -2.4038 2.8917 2.8917 4.2265 4.2265 4.5096 4.5096 5.3175 5.3175 5.6209 5.6209 6.0751 6.0751 6.2825 6.2825 7.3369 7.3369 7.6214 7.6214 7.7027 7.7027 7.7269 7.7269 8.1569 8.1569 9.2501 9.2501 9.4473 9.4473 9.6613 9.6613 9.8065 9.8065 13.5097 13.5097 15.0471 15.0471 17.3857 17.3857 k = 0.3397 0.5662-0.0000 ( 2486 PWs) bands (ev): -2.4462 -2.4462 -2.4047 -2.4047 2.8898 2.8898 4.2271 4.2271 4.5050 4.5050 5.3146 5.3146 5.6218 5.6218 6.0753 6.0753 6.2820 6.2820 7.3377 7.3377 7.6397 7.6397 7.6987 7.6987 7.7266 7.7266 8.1565 8.1565 9.3097 9.3097 9.4647 9.4647 9.6148 9.6148 9.7520 9.7520 13.5047 13.5047 15.0530 15.0530 17.4153 17.4153 k = 0.3333 0.5774-0.0000 ( 2502 PWs) bands (ev): -2.4449 -2.4449 -2.4053 -2.4053 2.8891 2.8891 4.2272 4.2272 4.5035 4.5035 5.3136 5.3136 5.6221 5.6221 6.0754 6.0754 6.2820 6.2820 7.3380 7.3380 7.6482 7.6482 7.6947 7.6947 7.7267 7.7267 8.1563 8.1563 9.3347 9.3347 9.4708 9.4708 9.5924 9.5924 9.7349 9.7349 13.5030 13.5030 15.0549 15.0549 17.4247 17.4247 k = 0.3333 0.5774-0.0000 ( 2502 PWs) bands (ev): -2.4449 -2.4449 -2.4053 -2.4053 2.8891 2.8891 4.2272 4.2272 4.5035 4.5035 5.3136 5.3136 5.6221 5.6221 6.0754 6.0754 6.2820 6.2820 7.3380 7.3380 7.6482 7.6482 7.6947 7.6947 7.7267 7.7267 8.1563 8.1563 9.3347 9.3347 9.4708 9.4708 9.5924 9.5924 9.7349 9.7349 13.5030 13.5030 15.0549 15.0549 17.4247 17.4247 k = 0.3268 0.5660-0.0000 ( 2494 PWs) bands (ev): -2.4466 -2.4466 -2.4043 -2.4043 2.8900 2.8900 4.2271 4.2271 4.5051 4.5051 5.3145 5.3145 5.6218 5.6218 6.0753 6.0753 6.2817 6.2817 7.3376 7.3376 7.6376 7.6376 7.7006 7.7006 7.7266 7.7266 8.1565 8.1565 9.3095 9.3095 9.4665 9.4665 9.6175 9.6175 9.7483 9.7483 13.5047 13.5047 15.0530 15.0530 17.4160 17.4160 k = 0.3203 0.5547-0.0000 ( 2486 PWs) bands (ev): -2.4522 -2.4522 -2.4012 -2.4012 2.8927 2.8927 4.2266 4.2266 4.5098 4.5098 5.3171 5.3171 5.6210 5.6210 6.0748 6.0748 6.2804 6.2804 7.3357 7.3357 7.6116 7.6116 7.7116 7.7116 7.7274 7.7274 8.1573 8.1573 9.2522 9.2522 9.4640 9.4640 9.6704 9.6704 9.7828 9.7828 13.5098 13.5098 15.0473 15.0473 17.3923 17.3923 k = 0.3137 0.5434-0.0000 ( 2474 PWs) bands (ev): -2.4614 -2.4614 -2.3961 -2.3961 2.8975 2.8975 4.2261 4.2261 4.5175 4.5175 5.3212 5.3212 5.6197 5.6197 6.0739 6.0739 6.2773 6.2773 7.3313 7.3313 7.5776 7.5776 7.7167 7.7167 7.7340 7.7340 8.1590 8.1590 9.1856 9.1856 9.4703 9.4703 9.7247 9.7247 9.8353 9.8353 13.5182 13.5182 15.0382 15.0382 17.3567 17.3567 k = 0.3072 0.5321-0.0000 ( 2474 PWs) bands (ev): -2.4738 -2.4738 -2.3895 -2.3895 2.9048 2.9048 4.2255 4.2255 4.5280 4.5280 5.3266 5.3266 5.6181 5.6181 6.0724 6.0724 6.2717 6.2717 7.3221 7.3221 7.5404 7.5404 7.7156 7.7156 7.7447 7.7447 8.1619 8.1619 9.1205 9.1205 9.4861 9.4861 9.7715 9.7715 9.9031 9.9031 13.5299 13.5299 15.0259 15.0259 17.3117 17.3117 k = 0.3007 0.5207-0.0000 ( 2470 PWs) bands (ev): -2.4890 -2.4890 -2.3819 -2.3819 2.9149 2.9149 4.2250 4.2250 4.5410 4.5410 5.3330 5.3330 5.6161 5.6161 6.0700 6.0700 6.2631 6.2631 7.3048 7.3048 7.5052 7.5052 7.7125 7.7125 7.7543 7.7543 8.1665 8.1665 9.0617 9.0617 9.5108 9.5108 9.8125 9.8125 9.9800 9.9800 13.5450 13.5450 15.0108 15.0108 17.2595 17.2595 k = 0.2941 0.5094-0.0000 ( 2472 PWs) bands (ev): -2.5068 -2.5068 -2.3735 -2.3735 2.9278 2.9278 4.2247 4.2247 4.5562 4.5562 5.3405 5.3405 5.6137 5.6137 6.0666 6.0666 6.2510 6.2510 7.2754 7.2754 7.4770 7.4770 7.7083 7.7083 7.7613 7.7613 8.1732 8.1732 9.0117 9.0117 9.5434 9.5434 9.8508 9.8508 10.0610 10.0610 13.5634 13.5634 14.9932 14.9932 17.2015 17.2015 k = 0.2876 0.4981-0.0000 ( 2464 PWs) bands (ev): -2.5271 -2.5271 -2.3644 -2.3644 2.9438 2.9438 4.2246 4.2246 4.5736 4.5736 5.3488 5.3488 5.6110 5.6110 6.0617 6.0617 6.2351 6.2351 7.2330 7.2330 7.4580 7.4580 7.7033 7.7033 7.7655 7.7655 8.1822 8.1822 8.9721 8.9721 9.5827 9.5827 9.8880 9.8880 10.1434 10.1434 13.5853 13.5853 14.9734 14.9734 17.1387 17.1387 k = 0.2810 0.4868-0.0000 ( 2468 PWs) bands (ev): -2.5497 -2.5497 -2.3547 -2.3547 2.9630 2.9630 4.2248 4.2248 4.5927 4.5927 5.3579 5.3579 5.6076 5.6076 6.0552 6.0552 6.2152 6.2152 7.1807 7.1807 7.4461 7.4461 7.6977 7.6977 7.7675 7.7675 8.1933 8.1933 8.9438 8.9438 9.6273 9.6273 9.9249 9.9249 10.2257 10.2257 13.6108 13.6108 14.9516 14.9516 17.0719 17.0719 k = 0.2745 0.4755-0.0000 ( 2460 PWs) bands (ev): -2.5746 -2.5746 -2.3445 -2.3445 2.9855 2.9855 4.2253 4.2253 4.6136 4.6136 5.3677 5.3677 5.6035 5.6035 6.0465 6.0465 6.1914 6.1914 7.1226 7.1226 7.4377 7.4377 7.6924 7.6924 7.7679 7.7679 8.2061 8.2061 8.9272 8.9272 9.6762 9.6762 9.9620 9.9620 10.3071 10.3071 13.6399 13.6399 14.9281 14.9281 17.0014 17.0014 k = 0.2680 0.4641-0.0000 ( 2460 PWs) bands (ev): -2.6016 -2.6016 -2.3337 -2.3337 3.0112 3.0112 4.2260 4.2260 4.6359 4.6359 5.3780 5.3780 5.5983 5.5983 6.0353 6.0353 6.1640 6.1640 7.0623 7.0623 7.4294 7.4294 7.6883 7.6883 7.7675 7.7675 8.2198 8.2198 8.9223 8.9223 9.7283 9.7283 9.9996 9.9996 10.3870 10.3870 13.6728 13.6728 14.9031 14.9031 16.9276 16.9276 k = 0.2614 0.4528-0.0000 ( 2464 PWs) bands (ev): -2.6305 -2.6305 -2.3224 -2.3224 3.0402 3.0402 4.2268 4.2268 4.6595 4.6595 5.3887 5.3887 5.5916 5.5916 6.0209 6.0209 6.1334 6.1334 7.0025 7.0025 7.4192 7.4192 7.6869 7.6869 7.7671 7.7671 8.2339 8.2339 8.9285 8.9285 9.7828 9.7828 10.0380 10.0380 10.4649 10.4649 13.7095 13.7095 14.8766 14.8766 16.8505 16.8505 k = 0.2549 0.4415-0.0000 ( 2464 PWs) bands (ev): -2.6614 -2.6614 -2.3106 -2.3106 3.0723 3.0723 4.2278 4.2278 4.6844 4.6844 5.3997 5.3997 5.5831 5.5831 6.0030 6.0030 6.1004 6.1004 6.9452 6.9452 7.4060 7.4060 7.6891 7.6891 7.7673 7.7673 8.2477 8.2477 8.9452 8.9452 9.8388 9.8388 10.0775 10.0775 10.5404 10.5404 13.7503 13.7503 14.8488 14.8488 16.7704 16.7704 k = 0.2484 0.4302-0.0000 ( 2468 PWs) bands (ev): -2.6940 -2.6940 -2.2984 -2.2984 3.1073 3.1073 4.2289 4.2289 4.7102 4.7102 5.4104 5.4104 5.5722 5.5722 5.9812 5.9812 6.0659 6.0659 6.8920 6.8920 7.3896 7.3896 7.6952 7.6952 7.7684 7.7684 8.2611 8.2611 8.9714 8.9714 9.8956 9.8956 10.1182 10.1182 10.6130 10.6130 13.7953 13.7953 14.8196 14.8196 16.6871 16.6871 k = 0.2418 0.4189-0.0000 ( 2474 PWs) bands (ev): -2.7282 -2.7282 -2.2858 -2.2858 3.1452 3.1452 4.2300 4.2300 4.7369 4.7369 5.4202 5.4202 5.5587 5.5587 5.9551 5.9551 6.0311 6.0311 6.8440 6.8440 7.3705 7.3705 7.7047 7.7047 7.7710 7.7710 8.2740 8.2740 9.0057 9.0057 9.9527 9.9527 10.1605 10.1605 10.6824 10.6824 13.8446 13.8446 14.7890 14.7890 16.6009 16.6009 k = 0.2353 0.4075-0.0000 ( 2466 PWs) bands (ev): -2.7639 -2.7639 -2.2727 -2.2727 3.1856 3.1856 4.2310 4.2310 4.7644 4.7644 5.4274 5.4274 5.5432 5.5432 5.9248 5.9248 5.9974 5.9974 6.8023 6.8023 7.3497 7.3497 7.7161 7.7161 7.7762 7.7762 8.2866 8.2866 9.0470 9.0470 10.0094 10.0094 10.2044 10.2044 10.7483 10.7483 13.8983 13.8983 14.7569 14.7569 16.5119 16.5119 k = 0.2288 0.3962-0.0000 ( 2464 PWs) bands (ev): -2.8008 -2.8008 -2.2592 -2.2592 3.2283 3.2283 4.2319 4.2319 4.7925 4.7925 5.4284 5.4284 5.5279 5.5279 5.8901 5.8901 5.9667 5.9667 6.7675 6.7675 7.3280 7.3280 7.7272 7.7272 7.7854 7.7854 8.2991 8.2991 9.0940 9.0940 10.0652 10.0652 10.2504 10.2504 10.8102 10.8102 13.9566 13.9566 14.7232 14.7232 16.4202 16.4202 k = 0.2222 0.3849-0.0000 ( 2464 PWs) bands (ev): -2.8388 -2.8388 -2.2453 -2.2453 3.2730 3.2730 4.2327 4.2327 4.8211 4.8211 5.4173 5.4173 5.5176 5.5176 5.8514 5.8514 5.9407 5.9407 6.7397 6.7397 7.3062 7.3062 7.7359 7.7359 7.7999 7.7999 8.3118 8.3118 9.1455 9.1455 10.1197 10.1197 10.2985 10.2985 10.8678 10.8678 14.0196 14.0196 14.6875 14.6875 16.3263 16.3263 k = 0.2157 0.3736-0.0000 ( 2460 PWs) bands (ev): -2.8777 -2.8777 -2.2310 -2.2310 3.3193 3.3193 4.2333 4.2333 4.8499 4.8499 5.3908 5.3908 5.5142 5.5142 5.8103 5.8103 5.9203 5.9203 6.7189 6.7189 7.2849 7.2849 7.7420 7.7420 7.8195 7.8195 8.3252 8.3252 9.2006 9.2006 10.1725 10.1725 10.3489 10.3489 10.9209 10.9209 14.0871 14.0871 14.6497 14.6497 16.2303 16.2303 k = 0.2092 0.3623-0.0000 ( 2458 PWs) bands (ev): -2.9173 -2.9173 -2.2165 -2.2165 3.3667 3.3667 4.2336 4.2336 4.8790 4.8790 5.3519 5.3519 5.5127 5.5127 5.7700 5.7700 5.9058 5.9058 6.7048 6.7048 7.2646 7.2646 7.7461 7.7461 7.8427 7.8427 8.3395 8.3395 9.2583 9.2583 10.2234 10.2234 10.4017 10.4017 10.9690 10.9690 14.1593 14.1593 14.6093 14.6093 16.1329 16.1329 k = 0.2026 0.3509-0.0000 ( 2454 PWs) bands (ev): -2.9575 -2.9575 -2.2016 -2.2016 3.4150 3.4150 4.2336 4.2336 4.9079 4.9079 5.3046 5.3046 5.5055 5.5055 5.7357 5.7357 5.8969 5.8969 6.6969 6.6969 7.2455 7.2455 7.7492 7.7492 7.8681 7.8681 8.3550 8.3550 9.3179 9.3179 10.2724 10.2724 10.4570 10.4570 11.0120 11.0120 14.2356 14.2356 14.5661 14.5661 16.0344 16.0344 k = 0.1961 0.3396-0.0000 ( 2462 PWs) bands (ev): -2.9982 -2.9982 -2.1864 -2.1864 3.4637 3.4637 4.2332 4.2332 4.9366 4.9366 5.2519 5.2519 5.4856 5.4856 5.7137 5.7137 5.8932 5.8932 6.6948 6.6948 7.2278 7.2278 7.7518 7.7518 7.8946 7.8946 8.3721 8.3721 9.3786 9.3786 10.3194 10.3194 10.5145 10.5145 11.0497 11.0497 14.3149 14.3149 14.5205 14.5205 15.9356 15.9356 k = 0.1895 0.3283-0.0000 ( 2458 PWs) bands (ev): -3.0390 -3.0390 -2.1710 -2.1710 3.5123 3.5123 4.2325 4.2325 4.9643 4.9643 5.1960 5.1960 5.4501 5.4501 5.7066 5.7066 5.8945 5.8945 6.6980 6.6980 7.2117 7.2117 7.7541 7.7541 7.9214 7.9214 8.3911 8.3911 9.4399 9.4399 10.3648 10.3648 10.5741 10.5741 11.0817 11.0817 14.3894 14.3894 14.4789 14.4789 15.8373 15.8373 k = 0.1830 0.3170-0.0000 ( 2458 PWs) bands (ev): -3.0799 -3.0799 -2.1553 -2.1553 3.5604 3.5604 4.2312 4.2312 4.9897 4.9897 5.1396 5.1396 5.4021 5.4021 5.7113 5.7113 5.9005 5.9005 6.7061 6.7061 7.1972 7.1972 7.7563 7.7563 7.9480 7.9480 8.4121 8.4121 9.5012 9.5012 10.4086 10.4086 10.6355 10.6355 11.1081 11.1081 14.3914 14.3914 14.5077 14.5077 15.7409 15.7409 k = 0.1765 0.3057-0.0000 ( 2458 PWs) bands (ev): -3.1207 -3.1207 -2.1395 -2.1395 3.6077 3.6077 4.2295 4.2295 5.0061 5.0061 5.0901 5.0901 5.3465 5.3465 5.7229 5.7229 5.9113 5.9113 6.7189 6.7189 7.1845 7.1845 7.7587 7.7587 7.9739 7.9739 8.4352 8.4352 9.5621 9.5621 10.4512 10.4512 10.6984 10.6984 11.1287 11.1287 14.3342 14.3342 14.5908 14.5908 15.6482 15.6482 k = 0.1699 0.2943-0.0000 ( 2454 PWs) bands (ev): -3.1613 -3.1613 -2.1236 -2.1236 3.6536 3.6536 4.2273 4.2273 4.9863 4.9863 5.0755 5.0755 5.2869 5.2869 5.7379 5.7379 5.9270 5.9270 6.7361 6.7361 7.1737 7.1737 7.7611 7.7611 7.9986 7.9986 8.4605 8.4605 9.6222 9.6222 10.4929 10.4929 10.7626 10.7626 11.1436 11.1436 14.2649 14.2649 14.6772 14.6772 15.5627 15.5627 k = 0.1634 0.2830-0.0000 ( 2454 PWs) bands (ev): -3.2014 -3.2014 -2.1075 -2.1075 3.6979 3.6979 4.2245 4.2245 4.9343 4.9343 5.0913 5.0913 5.2262 5.2262 5.7541 5.7541 5.9475 5.9475 6.7577 6.7577 7.1649 7.1649 7.7638 7.7638 8.0220 8.0220 8.4879 8.4879 9.6813 9.6813 10.5340 10.5340 10.8278 10.8278 11.1528 11.1528 14.1868 14.1868 14.7567 14.7567 15.4908 15.4908 k = 0.1569 0.2717-0.0000 ( 2454 PWs) bands (ev): -3.2410 -3.2410 -2.0915 -2.0915 3.7403 3.7403 4.2210 4.2210 4.8757 4.8757 5.1080 5.1080 5.1703 5.1703 5.7701 5.7701 5.9726 5.9726 6.7836 6.7836 7.1582 7.1582 7.7668 7.7668 8.0439 8.0439 8.5173 8.5173 9.7389 9.7389 10.5748 10.5748 10.8937 10.8937 11.1565 11.1565 14.0999 14.0999 14.8173 14.8173 15.4441 15.4441 k = 0.1503 0.2604-0.0000 ( 2454 PWs) bands (ev): -3.2800 -3.2800 -2.0754 -2.0754 3.7804 3.7804 4.2169 4.2169 4.8164 4.8164 5.0849 5.0849 5.1552 5.1552 5.7855 5.7855 6.0016 6.0016 6.8135 6.8135 7.1541 7.1541 7.7703 7.7703 8.0644 8.0644 8.5483 8.5483 9.7949 9.7949 10.6158 10.6158 10.9600 10.9600 11.1551 11.1551 14.0040 14.0040 14.8424 14.8424 15.4387 15.4387 k = 0.1438 0.2491-0.0000 ( 2454 PWs) bands (ev): -3.3181 -3.3181 -2.0594 -2.0594 3.8182 3.8182 4.2121 4.2121 4.7578 4.7578 5.0281 5.0281 5.1743 5.1743 5.8001 5.8001 6.0337 6.0337 6.8474 6.8474 7.1529 7.1529 7.7742 7.7742 8.0834 8.0834 8.5806 8.5806 9.8491 9.8491 10.6572 10.6572 11.0261 11.0261 11.1491 11.1491 13.8990 13.8990 14.8235 14.8235 15.4833 15.4833 k = 0.1373 0.2377-0.0000 ( 2458 PWs) bands (ev): -3.3553 -3.3553 -2.0435 -2.0435 3.8533 3.8533 4.2065 4.2065 4.7006 4.7006 4.9683 4.9683 5.1969 5.1969 5.8140 5.8140 6.0679 6.0679 6.8845 6.8845 7.1555 7.1555 7.7789 7.7789 8.1010 8.1010 8.6138 8.6138 9.9012 9.9012 10.6995 10.6995 11.0896 11.0896 11.1410 11.1410 13.7850 13.7850 14.7688 14.7688 15.5695 15.5695 k = 0.1307 0.2264-0.0000 ( 2462 PWs) bands (ev): -3.3915 -3.3915 -2.0278 -2.0278 3.8859 3.8859 4.2001 4.2001 4.6454 4.6454 4.9091 4.9091 5.2196 5.2196 5.8273 5.8273 6.1032 6.1032 6.9237 6.9237 7.1631 7.1631 7.7845 7.7845 8.1176 8.1176 8.6474 8.6474 9.9510 9.9510 10.7428 10.7428 11.1152 11.1152 11.1662 11.1662 13.6625 13.6625 14.6926 14.6926 15.6828 15.6828 k = 0.1242 0.2151-0.0000 ( 2458 PWs) bands (ev): -3.4265 -3.4265 -2.0123 -2.0123 3.9158 3.9158 4.1928 4.1928 4.5924 4.5924 4.8515 4.8515 5.2415 5.2415 5.8401 5.8401 6.1386 6.1386 6.9629 6.9629 7.1777 7.1777 7.7913 7.7913 8.1331 8.1331 8.6809 8.6809 9.9985 9.9985 10.7875 10.7875 11.0998 11.0998 11.2281 11.2281 13.5322 13.5322 14.6045 14.6045 15.8136 15.8136 k = 0.1176 0.2038-0.0000 ( 2458 PWs) bands (ev): -3.4603 -3.4603 -1.9971 -1.9971 3.9431 3.9431 4.1845 4.1845 4.5419 4.5419 4.7958 4.7958 5.2624 5.2624 5.8526 5.8526 6.1732 6.1732 6.9989 6.9989 7.2021 7.2021 7.7998 7.7998 8.1479 8.1479 8.7141 8.7141 10.0435 10.0435 10.8333 10.8333 11.0795 11.0795 11.2912 11.2912 13.3951 13.3951 14.5096 14.5096 15.9561 15.9561 k = 0.1111 0.1925-0.0000 ( 2454 PWs) bands (ev): -3.4927 -3.4927 -1.9822 -1.9822 3.9678 3.9678 4.1751 4.1751 4.4944 4.4944 4.7423 4.7423 5.2823 5.2823 5.8648 5.8648 6.2065 6.2065 7.0290 7.0290 7.2384 7.2384 7.8105 7.8105 8.1621 8.1621 8.7464 8.7464 10.0858 10.0858 10.8789 10.8789 11.0587 11.0587 11.3528 11.3528 13.2522 13.2522 14.4107 14.4107 16.0205 16.0205 k = 0.1046 0.1811-0.0000 ( 2454 PWs) bands (ev): -3.5237 -3.5237 -1.9678 -1.9678 3.9901 3.9901 4.1645 4.1645 4.4501 4.4501 4.6913 4.6913 5.3008 5.3008 5.8768 5.8768 6.2379 6.2379 7.0525 7.0525 7.2860 7.2860 7.8245 7.8245 8.1760 8.1760 8.7777 8.7777 10.1254 10.1254 10.9190 10.9190 11.0439 11.0439 11.4120 11.4120 13.1051 13.1051 14.3093 14.3093 15.9964 15.9964 k = 0.0980 0.1698-0.0000 ( 2454 PWs) bands (ev): -3.5533 -3.5533 -1.9538 -1.9538 4.0101 4.0101 4.1525 4.1525 4.4093 4.4093 4.6430 4.6430 5.3182 5.3182 5.8885 5.8885 6.2670 6.2670 7.0707 7.0707 7.3415 7.3415 7.8429 7.8429 8.1898 8.1898 8.8078 8.8078 10.1621 10.1621 10.9370 10.9370 11.0524 11.0524 11.4678 11.4678 12.9551 12.9551 14.2062 14.2062 15.9783 15.9783 k = 0.0915 0.1585-0.0000 ( 2446 PWs) bands (ev): -3.5812 -3.5812 -1.9403 -1.9403 4.0278 4.0278 4.1392 4.1392 4.3722 4.3722 4.5976 4.5976 5.3342 5.3342 5.8998 5.8998 6.2937 6.2937 7.0858 7.0858 7.4001 7.4001 7.8675 7.8675 8.2039 8.2039 8.8365 8.8365 10.1961 10.1961 10.9252 10.9252 11.0928 11.0928 11.5192 11.5192 12.8043 12.8043 14.1020 14.1020 15.9651 15.9651 k = 0.0850 0.1472-0.0000 ( 2458 PWs) bands (ev): -3.6075 -3.6075 -1.9275 -1.9275 4.0433 4.0433 4.1245 4.1245 4.3389 4.3389 4.5553 4.5553 5.3488 5.3488 5.9109 5.9109 6.3179 6.3179 7.0991 7.0991 7.4572 7.4572 7.9002 7.9002 8.2187 8.2187 8.8639 8.8639 10.2272 10.2272 10.8997 10.8997 11.1493 11.1493 11.5643 11.5643 12.6552 12.6552 13.9970 13.9970 15.9559 15.9559 k = 0.0784 0.1358-0.0000 ( 2454 PWs) bands (ev): -3.6321 -3.6321 -1.9153 -1.9153 4.0565 4.0565 4.1090 4.1090 4.3095 4.3095 4.5161 4.5161 5.3622 5.3622 5.9215 5.9215 6.3395 6.3395 7.1116 7.1116 7.5083 7.5083 7.9426 7.9426 8.2352 8.2352 8.8902 8.8902 10.2555 10.2555 10.8699 10.8699 11.2132 11.2132 11.6007 11.6007 12.5111 12.5111 13.8915 13.8915 15.9493 15.9493 k = 0.0719 0.1245-0.0000 ( 2452 PWs) bands (ev): -3.6549 -3.6549 -1.9038 -1.9038 4.0659 4.0659 4.0944 4.0944 4.2838 4.2838 4.4804 4.4804 5.3743 5.3743 5.9316 5.9316 6.3588 6.3588 7.1236 7.1236 7.5509 7.5509 7.9939 7.9939 8.2549 8.2549 8.9155 8.9155 10.2810 10.2810 10.8387 10.8387 11.2811 11.2811 11.6242 11.6242 12.3777 12.3777 13.7858 13.7858 15.9441 15.9441 k = 0.0654 0.1132-0.0000 ( 2458 PWs) bands (ev): -3.6759 -3.6759 -1.8931 -1.8931 4.0637 4.0637 4.0893 4.0893 4.2614 4.2614 4.4480 4.4480 5.3851 5.3851 5.9413 5.9413 6.3757 6.3757 7.1352 7.1352 7.5841 7.5841 8.0504 8.0504 8.2804 8.2804 8.9404 8.9404 10.3039 10.3039 10.8077 10.8077 11.3509 11.3509 11.6284 11.6284 12.2632 12.2632 13.6801 13.6801 15.9391 15.9391 k = 0.0588 0.1019-0.0000 ( 2454 PWs) bands (ev): -3.6950 -3.6950 -1.8833 -1.8833 4.0491 4.0491 4.0949 4.0949 4.2419 4.2419 4.4193 4.4193 5.3947 5.3947 5.9502 5.9502 6.3905 6.3905 7.1465 7.1465 7.6092 7.6092 8.1045 8.1045 8.3161 8.3161 8.9656 8.9656 10.3243 10.3243 10.7777 10.7777 11.4174 11.4174 11.6081 11.6081 12.1781 12.1781 13.5749 13.5749 15.9333 15.9333 k = 0.0523 0.0906-0.0000 ( 2448 PWs) bands (ev): -3.7123 -3.7123 -1.8743 -1.8743 4.0324 4.0324 4.1019 4.1019 4.2249 4.2249 4.3941 4.3941 5.4031 5.4031 5.9585 5.9585 6.4033 6.4033 7.1573 7.1573 7.6277 7.6277 8.1485 8.1485 8.3657 8.3657 8.9920 8.9920 10.3422 10.3422 10.7495 10.7495 11.4548 11.4548 11.5833 11.5833 12.1287 12.1287 13.4704 13.4704 15.9258 15.9258 k = 0.0458 0.0792-0.0000 ( 2444 PWs) bands (ev): -3.7275 -3.7275 -1.8663 -1.8663 4.0160 4.0160 4.1084 4.1084 4.2099 4.2099 4.3724 4.3724 5.4104 5.4104 5.9660 5.9660 6.4142 6.4142 7.1675 7.1675 7.6414 7.6414 8.1796 8.1796 8.4271 8.4271 9.0209 9.0209 10.3577 10.3577 10.7236 10.7236 11.4038 11.4038 11.6186 11.6186 12.1104 12.1104 13.3675 13.3675 15.9163 15.9163 k = 0.0392 0.0679-0.0000 ( 2434 PWs) bands (ev): -3.7409 -3.7409 -1.8592 -1.8592 4.0009 4.0009 4.1139 4.1139 4.1969 4.1969 4.3542 4.3542 5.4166 5.4166 5.9726 5.9726 6.4234 6.4234 7.1768 7.1768 7.6516 7.6516 8.2008 8.2008 8.4931 8.4931 9.0534 9.0534 10.3709 10.3709 10.7008 10.7008 11.3047 11.3047 11.6847 11.6847 12.1127 12.1127 13.2670 13.2670 15.9050 15.9050 k = 0.0327 0.0566-0.0000 ( 2438 PWs) bands (ev): -3.7522 -3.7522 -1.8531 -1.8531 3.9875 3.9875 4.1186 4.1186 4.1857 4.1857 4.3392 4.3392 5.4218 5.4218 5.9783 5.9783 6.4309 6.4309 7.1851 7.1851 7.6592 7.6592 8.2155 8.2155 8.5556 8.5556 9.0902 9.0902 10.3820 10.3820 10.6815 10.6815 11.1951 11.1951 11.7535 11.7535 12.1272 12.1272 13.1702 13.1702 15.8927 15.8927 k = 0.0261 0.0453-0.0000 ( 2436 PWs) bands (ev): -3.7615 -3.7615 -1.8481 -1.8481 3.9763 3.9763 4.1223 4.1223 4.1764 4.1764 4.3273 4.3273 5.4259 5.4259 5.9831 5.9831 6.4369 6.4369 7.1922 7.1922 7.6648 7.6648 8.2260 8.2260 8.6092 8.6092 9.1307 9.1307 10.3909 10.3909 10.6663 10.6663 11.0883 11.0883 11.8171 11.8171 12.1493 12.1493 13.0792 13.0792 15.8803 15.8803 k = 0.0196 0.0340-0.0000 ( 2436 PWs) bands (ev): -3.7687 -3.7687 -1.8442 -1.8442 3.9673 3.9673 4.1251 4.1251 4.1690 4.1690 4.3184 4.3184 5.4291 5.4291 5.9868 5.9868 6.4415 6.4415 7.1979 7.1979 7.6688 7.6688 8.2335 8.2335 8.6508 8.6508 9.1719 9.1719 10.3978 10.3978 10.6557 10.6557 10.9926 10.9926 11.8705 11.8705 12.1762 12.1762 12.9974 12.9974 15.8691 15.8691 k = 0.0131 0.0226-0.0000 ( 2437 PWs) bands (ev): -3.7739 -3.7739 -1.8414 -1.8414 3.9608 3.9608 4.1272 4.1272 4.1635 4.1635 4.3121 4.3121 5.4314 5.4314 5.9896 5.9896 6.4448 6.4448 7.2021 7.2021 7.6715 7.6715 8.2385 8.2385 8.6797 8.6797 9.2084 9.2084 10.4026 10.4026 10.6500 10.6500 10.9154 10.9154 11.9100 11.9100 12.2043 12.2043 12.9299 12.9299 15.8602 15.8602 k = 0.0065 0.0113-0.0000 ( 2429 PWs) bands (ev): -3.7770 -3.7770 -1.8397 -1.8397 3.9568 3.9568 4.1284 4.1284 4.1603 4.1603 4.3084 4.3084 5.4327 5.4327 5.9912 5.9912 6.4467 6.4467 7.2046 7.2046 7.6730 7.6730 8.2415 8.2415 8.6965 8.6965 9.2340 9.2340 10.4055 10.4055 10.6483 10.6483 10.8641 10.8641 11.9337 11.9337 12.2269 12.2269 12.8839 12.8839 15.8545 15.8545 k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -3.7780 -3.7780 -1.8391 -1.8391 3.9555 3.9555 4.1288 4.1288 4.1592 4.1592 4.3072 4.3072 5.4332 5.4332 5.9917 5.9917 6.4474 6.4474 7.2055 7.2055 7.6735 7.6735 8.2424 8.2424 8.7020 8.7020 9.2432 9.2432 10.4065 10.4065 10.6483 10.6483 10.8458 10.8458 11.9416 11.9416 12.2358 12.2358 12.8674 12.8674 15.8526 15.8526 k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -3.7780 -3.7780 -1.8391 -1.8391 3.9555 3.9555 4.1288 4.1288 4.1592 4.1592 4.3072 4.3072 5.4332 5.4332 5.9917 5.9917 6.4474 6.4474 7.2055 7.2055 7.6735 7.6735 8.2424 8.2424 8.7020 8.7020 9.2432 9.2432 10.4065 10.4065 10.6483 10.6483 10.8458 10.8458 11.9416 11.9416 12.2358 12.2358 12.8674 12.8674 15.8526 15.8526 k = 0.0000 0.0000 0.0127 ( 2433 PWs) bands (ev): -3.7770 -3.7770 -1.8411 -1.8411 3.9579 3.9579 4.1309 4.1309 4.1601 4.1601 4.3089 4.3089 5.4332 5.4332 5.9926 5.9926 6.4466 6.4466 7.2001 7.2001 7.6705 7.6705 8.2363 8.2363 8.7094 8.7094 9.2500 9.2500 10.3974 10.3974 10.5822 10.5822 10.9116 10.9116 11.9407 11.9407 12.2345 12.2345 12.8741 12.8741 15.8539 15.8539 k = 0.0000 0.0000 0.0255 ( 2439 PWs) bands (ev): -3.7740 -3.7740 -1.8469 -1.8469 3.9650 3.9650 4.1372 4.1372 4.1630 4.1630 4.3140 4.3140 5.4332 5.4332 5.9951 5.9951 6.4445 6.4445 7.1841 7.1841 7.6618 7.6618 8.2182 8.2182 8.7311 8.7311 9.2700 9.2700 10.3706 10.3706 10.4653 10.4653 11.0278 11.0278 11.9381 11.9381 12.2307 12.2307 12.8939 12.8939 15.8578 15.8578 k = 0.0000 0.0000 0.0382 ( 2439 PWs) bands (ev): -3.7691 -3.7691 -1.8566 -1.8566 3.9768 3.9768 4.1478 4.1478 4.1677 4.1677 4.3225 4.3225 5.4331 5.4331 5.9994 5.9994 6.4411 6.4411 7.1579 7.1579 7.6484 7.6484 8.1896 8.1896 8.7658 8.7658 9.3017 9.3017 10.3269 10.3269 10.3393 10.3393 11.1527 11.1527 11.9337 11.9337 12.2242 12.2242 12.9260 12.9260 15.8643 15.8643 k = 0.0000 0.0000 0.0510 ( 2433 PWs) bands (ev): -3.7621 -3.7621 -1.8700 -1.8700 3.9930 3.9930 4.1625 4.1625 4.1744 4.1744 4.3347 4.3347 5.4328 5.4328 6.0054 6.0054 6.4364 6.4364 7.1222 7.1222 7.6314 7.6314 8.1523 8.1523 8.8113 8.8113 9.3434 9.3434 10.2112 10.2112 10.2678 10.2678 11.2797 11.2797 11.9276 11.9276 12.2152 12.2152 12.9688 12.9688 15.8733 15.8733 k = 0.0000 0.0000 0.0637 ( 2433 PWs) bands (ev): -3.7531 -3.7531 -1.8871 -1.8871 4.0133 4.0133 4.1813 4.1813 4.1830 4.1830 4.3505 4.3505 5.4323 5.4323 6.0130 6.0130 6.4307 6.4307 7.0781 7.0781 7.6118 7.6118 8.1080 8.1080 8.8654 8.8654 9.3932 9.3932 10.0831 10.0831 10.1949 10.1949 11.4069 11.4069 11.9198 11.9198 12.2036 12.2036 13.0209 13.0209 15.8849 15.8849 k = 0.0000 0.0000 0.0764 ( 2439 PWs) bands (ev): -3.7422 -3.7422 -1.9078 -1.9078 4.0374 4.0374 4.1934 4.1934 4.2042 4.2042 4.3701 4.3701 5.4314 5.4314 6.0224 6.0224 6.4242 6.4242 7.0267 7.0267 7.5903 7.5903 8.0584 8.0584 8.9255 8.9255 9.4495 9.4495 9.9562 9.9562 10.1100 10.1100 11.5337 11.5337 11.9101 11.9101 12.1894 12.1894 13.0806 13.0806 15.8989 15.8989 k = 0.0000 0.0000 0.0892 ( 2433 PWs) bands (ev): -3.7293 -3.7293 -1.9318 -1.9318 4.0649 4.0649 4.2057 4.2057 4.2310 4.2310 4.3939 4.3939 5.4299 5.4299 6.0334 6.0334 6.4171 6.4171 6.9691 6.9691 7.5675 7.5675 8.0050 8.0050 8.9888 8.9888 9.5108 9.5108 9.8324 9.8324 10.0147 10.0147 11.6597 11.6597 11.8987 11.8987 12.1726 12.1726 13.1463 13.1463 15.9155 15.9155 k = 0.0000 0.0000 0.1019 ( 2433 PWs) bands (ev): -3.7145 -3.7145 -1.9590 -1.9590 4.0954 4.0954 4.2198 4.2198 4.2617 4.2617 4.4219 4.4219 5.4277 5.4277 6.0461 6.0461 6.4097 6.4097 6.9068 6.9068 7.5435 7.5435 7.9487 7.9487 9.0511 9.0511 9.5759 9.5759 9.7146 9.7146 9.9108 9.9108 11.7846 11.7846 11.8855 11.8855 12.1532 12.1532 13.2162 13.2162 15.9344 15.9344 k = 0.0000 0.0000 0.1147 ( 2433 PWs) bands (ev): -3.6977 -3.6977 -1.9892 -1.9892 4.1282 4.1282 4.2357 4.2357 4.2961 4.2961 4.4545 4.4545 5.4244 5.4244 6.0604 6.0604 6.4024 6.4024 6.8406 6.8406 7.5183 7.5183 7.8904 7.8904 9.1048 9.1048 9.6099 9.6099 9.6440 9.6440 9.7997 9.7997 11.8704 11.8704 11.9082 11.9082 12.1311 12.1311 13.2892 13.2892 15.9557 15.9557 k = 0.0000 0.0000 0.1274 ( 2433 PWs) bands (ev): -3.6791 -3.6791 -2.0222 -2.0222 4.1631 4.1631 4.2534 4.2534 4.3341 4.3341 4.4918 4.4918 5.4199 5.4199 6.0764 6.0764 6.3955 6.3955 6.7717 6.7717 7.4921 7.4921 7.8309 7.8309 9.1327 9.1327 9.5345 9.5345 9.6826 9.6826 9.7143 9.7143 11.8536 11.8536 12.0304 12.0304 12.1064 12.1064 13.3639 13.3639 15.9793 15.9793 k = 0.0000 0.0000 0.1401 ( 2439 PWs) bands (ev): -3.6586 -3.6586 -2.0579 -2.0579 4.1994 4.1994 4.2728 4.2728 4.3755 4.3755 4.5339 4.5339 5.4139 5.4139 6.0941 6.0941 6.3895 6.3895 6.7007 6.7007 7.4648 7.4648 7.7705 7.7705 9.1102 9.1102 9.5127 9.5127 9.5608 9.5608 9.7863 9.7863 11.8348 11.8348 12.0790 12.0790 12.1509 12.1509 13.4392 13.4392 16.0051 16.0051 k = 0.0000 0.0000 0.1529 ( 2427 PWs) bands (ev): -3.6362 -3.6362 -2.0959 -2.0959 4.2368 4.2368 4.2940 4.2940 4.4200 4.4200 4.5809 4.5809 5.4061 5.4061 6.1133 6.1133 6.3846 6.3846 6.6285 6.6285 7.4365 7.4365 7.7097 7.7097 9.0363 9.0363 9.4353 9.4353 9.5451 9.5451 9.8595 9.8595 11.8143 11.8143 12.0489 12.0489 12.2697 12.2697 13.5141 13.5141 16.0332 16.0332 k = 0.0000 0.0000 0.1656 ( 2427 PWs) bands (ev): -3.6120 -3.6120 -2.1361 -2.1361 4.2751 4.2751 4.3168 4.3168 4.4674 4.4674 4.6326 4.6326 5.3964 5.3964 6.1342 6.1342 6.3814 6.3814 6.5556 6.5556 7.4071 7.4071 7.6488 7.6488 8.9350 8.9350 9.3071 9.3071 9.6074 9.6074 9.9334 9.9334 11.7918 11.7918 12.0161 12.0161 12.3865 12.3865 13.5876 13.5876 16.0634 16.0634 k = 0.0000 0.0000 0.1784 ( 2427 PWs) bands (ev): -3.5860 -3.5860 -2.1783 -2.1783 4.3142 4.3142 4.3413 4.3413 4.5173 4.5173 4.6888 4.6888 5.3843 5.3843 6.1568 6.1568 6.3801 6.3801 6.4826 6.4826 7.3769 7.3769 7.5881 7.5881 8.8223 8.8223 9.1770 9.1770 9.6835 9.6835 10.0078 10.0078 11.7674 11.7674 11.9806 11.9806 12.5013 12.5013 13.6587 13.6587 16.0957 16.0957 k = 0.0000 0.0000 0.1911 ( 2427 PWs) bands (ev): -3.5582 -3.5582 -2.2222 -2.2222 4.3539 4.3539 4.3673 4.3673 4.5694 4.5694 4.7490 4.7490 5.3699 5.3699 6.1809 6.1809 6.3811 6.3811 6.4099 6.4099 7.3458 7.3458 7.5276 7.5276 8.7054 8.7054 9.0459 9.0459 9.7661 9.7661 10.0824 10.0824 11.7410 11.7410 11.9424 11.9424 12.6138 12.6138 13.7265 13.7265 16.1301 16.1301 k = 0.0000 0.0000 0.2038 ( 2427 PWs) bands (ev): -3.5288 -3.5288 -2.2677 -2.2677 4.3942 4.3942 4.3949 4.3949 4.6232 4.6232 4.8129 4.8129 5.3529 5.3529 6.2067 6.2067 6.3380 6.3380 6.3848 6.3848 7.3140 7.3140 7.4676 7.4676 8.5873 8.5873 8.9145 8.9145 9.8523 9.8523 10.1570 10.1570 11.7128 11.7128 11.9015 11.9015 12.7240 12.7240 13.7902 13.7902 16.1665 16.1665 k = 0.0000 0.0000 0.2166 ( 2427 PWs) bands (ev): -3.4976 -3.4976 -2.3144 -2.3144 4.4239 4.4239 4.4353 4.4353 4.6781 4.6781 4.8798 4.8798 5.3333 5.3333 6.2341 6.2341 6.2674 6.2674 6.3912 6.3912 7.2816 7.2816 7.4083 7.4083 8.4698 8.4698 8.7837 8.7837 9.9404 9.9404 10.2313 10.2313 11.6825 11.6825 11.8578 11.8578 12.8316 12.8316 13.8489 13.8489 16.2049 16.2049 k = 0.0000 0.0000 0.2293 ( 2427 PWs) bands (ev): -3.4648 -3.4648 -2.3623 -2.3623 4.4544 4.4544 4.4770 4.4770 4.7333 4.7333 4.9491 4.9491 5.3111 5.3111 6.1985 6.1985 6.2632 6.2632 6.4006 6.4006 7.2486 7.2486 7.3497 7.3497 8.3539 8.3539 8.6541 8.6541 10.0296 10.0296 10.3052 10.3052 11.6502 11.6502 11.8115 11.8115 12.9365 12.9365 13.9017 13.9017 16.2453 16.2453 k = 0.0000 0.0000 0.2421 ( 2415 PWs) bands (ev): -3.4304 -3.4304 -2.4112 -2.4112 4.4862 4.4862 4.5195 4.5195 4.7881 4.7881 5.0201 5.0201 5.2863 5.2863 6.1318 6.1318 6.2941 6.2941 6.4131 6.4131 7.2152 7.2152 7.2919 7.2919 8.2406 8.2406 8.5267 8.5267 10.1192 10.1192 10.3784 10.3784 11.6160 11.6160 11.7624 11.7624 13.0386 13.0386 13.9479 13.9479 16.2876 16.2876 k = 0.0000 0.0000 0.2548 ( 2415 PWs) bands (ev): -3.3945 -3.3945 -2.4608 -2.4608 4.5192 4.5192 4.5627 4.5627 4.8413 4.8413 5.0920 5.0920 5.2590 5.2590 6.0679 6.0679 6.3267 6.3267 6.4286 6.4286 7.1814 7.1814 7.2350 7.2350 8.1308 8.1308 8.4022 8.4022 10.2089 10.2089 10.4508 10.4508 11.5797 11.5797 11.7106 11.7106 13.1376 13.1376 13.9867 13.9867 16.3319 16.3319 k = 0.0000 0.0000 0.2675 ( 2415 PWs) bands (ev): -3.3570 -3.3570 -2.5109 -2.5109 4.5534 4.5534 4.6066 4.6066 4.8918 4.8918 5.1642 5.1642 5.2295 5.2295 6.0074 6.0074 6.3612 6.3612 6.4472 6.4472 7.1473 7.1473 7.1792 7.1792 8.0256 8.0256 8.2815 8.2815 10.2982 10.2982 10.5223 10.5223 11.5413 11.5413 11.6562 11.6562 13.2333 13.2333 14.0175 14.0175 16.3782 16.3782 k = 0.0000 0.0000 0.2803 ( 2415 PWs) bands (ev): -3.3181 -3.3181 -2.5615 -2.5615 4.5888 4.5888 4.6511 4.6511 4.9379 4.9379 5.1979 5.1979 5.2356 5.2356 5.9511 5.9511 6.3976 6.3976 6.4688 6.4688 7.1126 7.1126 7.1244 7.1244 7.9262 7.9262 8.1656 8.1656 10.3870 10.3870 10.5927 10.5927 11.5010 11.5010 11.5992 11.5992 13.3255 13.3255 14.0398 14.0398 16.4265 16.4265 k = 0.0000 0.0000 0.2930 ( 2427 PWs) bands (ev): -3.2779 -3.2779 -2.6123 -2.6123 4.6251 4.6251 4.6960 4.6960 4.9780 4.9780 5.1644 5.1644 5.3053 5.3053 5.8995 5.8995 6.4362 6.4362 6.4933 6.4933 7.0708 7.0708 7.0772 7.0772 7.8341 7.8341 8.0555 8.0555 10.4750 10.4750 10.6620 10.6620 11.4585 11.4585 11.5395 11.5395 13.4140 13.4140 14.0531 14.0531 16.4767 16.4767 k = 0.0000 0.0000 0.3058 ( 2421 PWs) bands (ev): -3.2363 -3.2363 -2.6632 -2.6632 4.6624 4.6624 4.7411 4.7411 5.0103 5.0103 5.1294 5.1294 5.3722 5.3722 5.8535 5.8535 6.4770 6.4770 6.5206 6.5206 7.0185 7.0185 7.0406 7.0406 7.7512 7.7512 7.9525 7.9525 10.5621 10.5621 10.7299 10.7299 11.4140 11.4140 11.4774 11.4774 13.4984 13.4984 14.0574 14.0574 16.5289 16.5289 k = 0.0000 0.0000 0.3185 ( 2427 PWs) bands (ev): -3.1935 -3.1935 -2.7141 -2.7141 4.7004 4.7004 4.7861 4.7861 5.0329 5.0329 5.0929 5.0929 5.4354 5.4354 5.8134 5.8134 6.5201 6.5201 6.5505 6.5505 6.9674 6.9674 7.0021 7.0021 7.6796 7.6796 7.8577 7.8577 10.6480 10.6480 10.7965 10.7965 11.3675 11.3675 11.4127 11.4127 13.5786 13.5786 14.0527 14.0527 16.5832 16.5832 k = 0.0000 0.0000 0.3312 ( 2427 PWs) bands (ev): -3.1494 -3.1494 -2.7648 -2.7648 4.7391 4.7391 4.8305 4.8305 5.0447 5.0447 5.0553 5.0553 5.4937 5.4937 5.7789 5.7789 6.5656 6.5656 6.5829 6.5829 6.9178 6.9178 6.9611 6.9611 7.6216 7.6216 7.7727 7.7727 10.7325 10.7325 10.8615 10.8615 11.3190 11.3190 11.3457 11.3457 13.6541 13.6541 14.0389 14.0389 16.6396 16.6396 k = 0.0000 0.0000 0.3440 ( 2427 PWs) bands (ev): -3.1043 -3.1043 -2.8151 -2.8151 4.7784 4.7784 4.8737 4.8737 5.0167 5.0167 5.0452 5.0452 5.5462 5.5462 5.7491 5.7491 6.6136 6.6136 6.6177 6.6177 6.8697 6.8697 6.9169 6.9169 7.5797 7.5797 7.6990 7.6990 10.8156 10.8156 10.9250 10.9250 11.2684 11.2684 11.2762 11.2762 13.7245 13.7245 14.0166 14.0166 16.6981 16.6981 k = 0.0000 0.0000 0.3567 ( 2427 PWs) bands (ev): -3.0582 -3.0582 -2.8650 -2.8650 4.8180 4.8180 4.9149 4.9149 4.9775 4.9775 5.0348 5.0348 5.5924 5.5924 5.7220 5.7220 6.6548 6.6548 6.6636 6.6636 6.8231 6.8231 6.8695 6.8695 7.5553 7.5553 7.6382 7.6382 10.8971 10.8971 10.9867 10.9867 11.2046 11.2046 11.2159 11.2159 13.7895 13.7895 13.9859 13.9859 16.7587 16.7587 k = 0.0000 0.0000 0.3694 ( 2421 PWs) bands (ev): -3.0111 -3.0111 -2.9144 -2.9144 4.8579 4.8579 4.9379 4.9379 4.9531 4.9531 5.0148 5.0148 5.6321 5.6321 5.6951 5.6951 6.6940 6.6940 6.7152 6.7152 6.7783 6.7783 6.8193 6.8193 7.5495 7.5495 7.5920 7.5920 10.9769 10.9769 11.0468 11.0468 11.1307 11.1307 11.1614 11.1614 13.8486 13.8486 13.9473 13.9473 16.8215 16.8215 k = 0.0000 0.0000 0.3822 ( 2410 PWs) bands (ev): -2.9631 -2.9631 -2.9631 -2.9631 4.8979 4.8979 4.8979 4.8979 4.9870 4.9870 4.9870 4.9870 5.6659 5.6659 5.6659 5.6659 6.7352 6.7352 6.7352 6.7352 6.7675 6.7675 6.7675 6.7675 7.5620 7.5620 7.5620 7.5620 11.0548 11.0548 11.0548 11.0548 11.1050 11.1050 11.1050 11.1050 13.9014 13.9014 13.9014 13.9014 16.8867 16.8867 k = 0.0000 0.0000 0.3822 ( 2410 PWs) bands (ev): -2.9631 -2.9631 -2.9631 -2.9631 4.8979 4.8979 4.8979 4.8979 4.9870 4.9870 4.9870 4.9870 5.6659 5.6659 5.6659 5.6659 6.7352 6.7352 6.7352 6.7352 6.7675 6.7675 6.7675 6.7675 7.5620 7.5620 7.5620 7.5620 11.0548 11.0548 11.0548 11.0548 11.1050 11.1050 11.1050 11.1050 13.9014 13.9014 13.9014 13.9014 16.8867 16.8867 k = 0.0111 0.0064 0.3822 ( 2422 PWs) bands (ev): -2.9626 -2.9626 -2.9626 -2.9626 4.8957 4.8957 4.8957 4.8957 4.9876 4.9876 4.9876 4.9876 5.6657 5.6657 5.6657 5.6657 6.7320 6.7320 6.7320 6.7320 6.7705 6.7705 6.7705 6.7705 7.5652 7.5652 7.5652 7.5652 11.0482 11.0482 11.0482 11.0482 11.1043 11.1043 11.1043 11.1043 13.9037 13.9037 13.9037 13.9037 16.8867 16.8867 k = 0.0222 0.0128 0.3822 ( 2418 PWs) bands (ev): -2.9609 -2.9609 -2.9609 -2.9609 4.8891 4.8891 4.8891 4.8891 4.9893 4.9893 4.9893 4.9893 5.6652 5.6652 5.6652 5.6652 6.7245 6.7245 6.7245 6.7245 6.7774 6.7774 6.7774 6.7774 7.5747 7.5747 7.5747 7.5747 11.0290 11.0290 11.0290 11.0290 11.1015 11.1015 11.1015 11.1015 13.9105 13.9105 13.9105 13.9105 16.8871 16.8871 k = 0.0333 0.0192 0.3822 ( 2420 PWs) bands (ev): -2.9581 -2.9581 -2.9581 -2.9581 4.8787 4.8787 4.8787 4.8787 4.9917 4.9917 4.9917 4.9917 5.6645 5.6645 5.6645 5.6645 6.7151 6.7151 6.7151 6.7151 6.7858 6.7858 6.7858 6.7858 7.5905 7.5905 7.5905 7.5905 10.9982 10.9982 10.9982 10.9982 11.0962 11.0962 11.0962 11.0962 13.9211 13.9211 13.9211 13.9211 16.8880 16.8880 k = 0.0444 0.0257 0.3822 ( 2416 PWs) bands (ev): -2.9542 -2.9542 -2.9542 -2.9542 4.8649 4.8649 4.8649 4.8649 4.9944 4.9944 4.9944 4.9944 5.6636 5.6636 5.6636 5.6636 6.7048 6.7048 6.7048 6.7048 6.7949 6.7949 6.7949 6.7949 7.6121 7.6121 7.6121 7.6121 10.9568 10.9568 10.9568 10.9568 11.0883 11.0883 11.0883 11.0883 13.9348 13.9348 13.9348 13.9348 16.8898 16.8898 k = 0.0556 0.0321 0.3822 ( 2418 PWs) bands (ev): -2.9492 -2.9492 -2.9492 -2.9492 4.8481 4.8481 4.8481 4.8481 4.9973 4.9973 4.9973 4.9973 5.6626 5.6626 5.6626 5.6626 6.6940 6.6940 6.6940 6.6940 6.8042 6.8042 6.8042 6.8042 7.6393 7.6393 7.6393 7.6393 10.9056 10.9056 10.9056 10.9056 11.0777 11.0777 11.0777 11.0777 13.9506 13.9506 13.9506 13.9506 16.8934 16.8934 k = 0.0667 0.0385 0.3822 ( 2426 PWs) bands (ev): -2.9432 -2.9432 -2.9432 -2.9432 4.8287 4.8287 4.8287 4.8287 5.0001 5.0001 5.0001 5.0001 5.6616 5.6616 5.6616 5.6616 6.6827 6.6827 6.6827 6.6827 6.8136 6.8136 6.8136 6.8136 7.6716 7.6716 7.6716 7.6716 10.8457 10.8457 10.8457 10.8457 11.0646 11.0646 11.0646 11.0646 13.9673 13.9673 13.9673 13.9673 16.8995 16.8995 k = 0.0778 0.0449 0.3822 ( 2432 PWs) bands (ev): -2.9361 -2.9361 -2.9361 -2.9361 4.8069 4.8069 4.8069 4.8069 5.0027 5.0027 5.0027 5.0027 5.6608 5.6608 5.6608 5.6608 6.6711 6.6711 6.6711 6.6711 6.8231 6.8231 6.8231 6.8231 7.7085 7.7085 7.7085 7.7085 10.7783 10.7783 10.7783 10.7783 11.0490 11.0490 11.0490 11.0490 13.9836 13.9836 13.9836 13.9836 16.9095 16.9095 k = 0.0889 0.0513 0.3822 ( 2430 PWs) bands (ev): -2.9280 -2.9280 -2.9280 -2.9280 4.7831 4.7831 4.7831 4.7831 5.0052 5.0052 5.0052 5.0052 5.6602 5.6602 5.6602 5.6602 6.6593 6.6593 6.6593 6.6593 6.8326 6.8326 6.8326 6.8326 7.7494 7.7494 7.7494 7.7494 10.7045 10.7045 10.7045 10.7045 11.0313 11.0313 11.0313 11.0313 13.9985 13.9985 13.9985 13.9985 16.9244 16.9244 k = 0.1000 0.0577 0.3822 ( 2430 PWs) bands (ev): -2.9190 -2.9190 -2.9190 -2.9190 4.7575 4.7575 4.7575 4.7575 5.0075 5.0075 5.0075 5.0075 5.6599 5.6599 5.6599 5.6599 6.6473 6.6473 6.6473 6.6473 6.8422 6.8422 6.8422 6.8422 7.7938 7.7938 7.7938 7.7938 10.6254 10.6254 10.6254 10.6254 11.0113 11.0113 11.0113 11.0113 14.0110 14.0110 14.0110 14.0110 16.9454 16.9454 k = 0.1111 0.0642 0.3822 ( 2438 PWs) bands (ev): -2.9090 -2.9090 -2.9090 -2.9090 4.7304 4.7304 4.7304 4.7304 5.0097 5.0097 5.0097 5.0097 5.6599 5.6599 5.6599 5.6599 6.6352 6.6352 6.6352 6.6352 6.8518 6.8518 6.8518 6.8518 7.8409 7.8409 7.8409 7.8409 10.5423 10.5423 10.5423 10.5423 10.9893 10.9893 10.9893 10.9893 14.0200 14.0200 14.0200 14.0200 16.9735 16.9735 k = 0.1222 0.0706 0.3822 ( 2440 PWs) bands (ev): -2.8980 -2.8980 -2.8980 -2.8980 4.7020 4.7020 4.7020 4.7020 5.0117 5.0117 5.0117 5.0117 5.6604 5.6604 5.6604 5.6604 6.6230 6.6230 6.6230 6.6230 6.8613 6.8613 6.8613 6.8613 7.8902 7.8902 7.8902 7.8902 10.4565 10.4565 10.4565 10.4565 10.9653 10.9653 10.9653 10.9653 14.0251 14.0251 14.0251 14.0251 17.0095 17.0095 k = 0.1333 0.0770 0.3822 ( 2446 PWs) bands (ev): -2.8862 -2.8862 -2.8862 -2.8862 4.6727 4.6727 4.6727 4.6727 5.0136 5.0136 5.0136 5.0136 5.6612 5.6612 5.6612 5.6612 6.6107 6.6107 6.6107 6.6107 6.8709 6.8709 6.8709 6.8709 7.9408 7.9408 7.9408 7.9408 10.3690 10.3690 10.3690 10.3690 10.9396 10.9396 10.9396 10.9396 14.0257 14.0257 14.0257 14.0257 17.0538 17.0538 k = 0.1444 0.0834 0.3822 ( 2446 PWs) bands (ev): -2.8736 -2.8736 -2.8736 -2.8736 4.6428 4.6428 4.6428 4.6428 5.0153 5.0153 5.0153 5.0153 5.6625 5.6625 5.6625 5.6625 6.5983 6.5983 6.5983 6.5983 6.8806 6.8806 6.8806 6.8806 7.9919 7.9919 7.9919 7.9919 10.2811 10.2811 10.2811 10.2811 10.9121 10.9121 10.9121 10.9121 14.0217 14.0217 14.0217 14.0217 17.1067 17.1067 k = 0.1556 0.0898 0.3822 ( 2454 PWs) bands (ev): -2.8603 -2.8603 -2.8603 -2.8603 4.6124 4.6124 4.6124 4.6124 5.0169 5.0169 5.0169 5.0169 5.6641 5.6641 5.6641 5.6641 6.5859 6.5859 6.5859 6.5859 6.8902 6.8902 6.8902 6.8902 8.0427 8.0427 8.0427 8.0427 10.1942 10.1942 10.1942 10.1942 10.8831 10.8831 10.8831 10.8831 14.0131 14.0131 14.0131 14.0131 17.1681 17.1681 k = 0.1667 0.0962 0.3822 ( 2450 PWs) bands (ev): -2.8462 -2.8462 -2.8462 -2.8462 4.5818 4.5818 4.5818 4.5818 5.0184 5.0184 5.0184 5.0184 5.6662 5.6662 5.6662 5.6662 6.5734 6.5734 6.5734 6.5734 6.8999 6.8999 6.8999 6.8999 8.0920 8.0920 8.0920 8.0920 10.1095 10.1095 10.1095 10.1095 10.8527 10.8527 10.8527 10.8527 14.0000 14.0000 14.0000 14.0000 17.2378 17.2378 k = 0.1778 0.1026 0.3822 ( 2454 PWs) bands (ev): -2.8315 -2.8315 -2.8315 -2.8315 4.5513 4.5513 4.5513 4.5513 5.0197 5.0197 5.0197 5.0197 5.6685 5.6685 5.6685 5.6685 6.5610 6.5610 6.5610 6.5610 6.9097 6.9097 6.9097 6.9097 8.1387 8.1387 8.1387 8.1387 10.0284 10.0284 10.0284 10.0284 10.8211 10.8211 10.8211 10.8211 13.9827 13.9827 13.9827 13.9827 17.3153 17.3153 k = 0.1889 0.1091 0.3822 ( 2450 PWs) bands (ev): -2.8161 -2.8161 -2.8161 -2.8161 4.5210 4.5210 4.5210 4.5210 5.0209 5.0209 5.0209 5.0209 5.6712 5.6712 5.6712 5.6712 6.5485 6.5485 6.5485 6.5485 6.9195 6.9195 6.9195 6.9195 8.1814 8.1814 8.1814 8.1814 9.9526 9.9526 9.9526 9.9526 10.7883 10.7883 10.7883 10.7883 13.9616 13.9616 13.9616 13.9616 17.4000 17.4000 k = 0.2000 0.1155 0.3822 ( 2450 PWs) bands (ev): -2.8003 -2.8003 -2.8003 -2.8003 4.4913 4.4913 4.4913 4.4913 5.0220 5.0220 5.0220 5.0220 5.6741 5.6741 5.6741 5.6741 6.5360 6.5360 6.5360 6.5360 6.9294 6.9294 6.9294 6.9294 8.2188 8.2188 8.2188 8.2188 9.8838 9.8838 9.8838 9.8838 10.7545 10.7545 10.7545 10.7545 13.9371 13.9371 13.9371 13.9371 17.4911 17.4911 k = 0.2111 0.1219 0.3822 ( 2454 PWs) bands (ev): -2.7840 -2.7840 -2.7840 -2.7840 4.4622 4.4622 4.4622 4.4622 5.0229 5.0229 5.0229 5.0229 5.6772 5.6772 5.6772 5.6772 6.5235 6.5235 6.5235 6.5235 6.9395 6.9395 6.9395 6.9395 8.2491 8.2491 8.2491 8.2491 9.8236 9.8236 9.8236 9.8236 10.7199 10.7199 10.7199 10.7199 13.9097 13.9097 13.9097 13.9097 17.5878 17.5878 k = 0.2222 0.1283 0.3822 ( 2450 PWs) bands (ev): -2.7674 -2.7674 -2.7674 -2.7674 4.4339 4.4339 4.4339 4.4339 5.0237 5.0237 5.0237 5.0237 5.6805 5.6805 5.6805 5.6805 6.5110 6.5110 6.5110 6.5110 6.9496 6.9496 6.9496 6.9496 8.2708 8.2708 8.2708 8.2708 9.7739 9.7739 9.7739 9.7739 10.6847 10.6847 10.6847 10.6847 13.8797 13.8797 13.8797 13.8797 17.6893 17.6893 k = 0.2333 0.1347 0.3822 ( 2444 PWs) bands (ev): -2.7504 -2.7504 -2.7504 -2.7504 4.4066 4.4066 4.4066 4.4066 5.0243 5.0243 5.0243 5.0243 5.6838 5.6838 5.6838 5.6838 6.4984 6.4984 6.4984 6.4984 6.9599 6.9599 6.9599 6.9599 8.2825 8.2825 8.2825 8.2825 9.7362 9.7362 9.7362 9.7362 10.6489 10.6489 10.6489 10.6489 13.8478 13.8478 13.8478 13.8478 17.7945 17.7945 k = 0.2444 0.1411 0.3822 ( 2444 PWs) bands (ev): -2.7333 -2.7333 -2.7333 -2.7333 4.3804 4.3804 4.3804 4.3804 5.0247 5.0247 5.0247 5.0247 5.6873 5.6873 5.6873 5.6873 6.4857 6.4857 6.4857 6.4857 6.9704 6.9704 6.9704 6.9704 8.2833 8.2833 8.2833 8.2833 9.7114 9.7114 9.7114 9.7114 10.6129 10.6129 10.6129 10.6129 13.8141 13.8141 13.8141 13.8141 17.9023 17.9023 k = 0.2556 0.1475 0.3822 ( 2446 PWs) bands (ev): -2.7160 -2.7160 -2.7160 -2.7160 4.3554 4.3554 4.3554 4.3554 5.0250 5.0250 5.0250 5.0250 5.6907 5.6907 5.6907 5.6907 6.4730 6.4730 6.4730 6.4730 6.9810 6.9810 6.9810 6.9810 8.2730 8.2730 8.2730 8.2730 9.6999 9.6999 9.6999 9.6999 10.5767 10.5767 10.5767 10.5767 13.7792 13.7792 13.7792 13.7792 18.0116 18.0116 k = 0.2667 0.1540 0.3822 ( 2450 PWs) bands (ev): -2.6986 -2.6986 -2.6986 -2.6986 4.3317 4.3317 4.3317 4.3317 5.0251 5.0251 5.0251 5.0251 5.6941 5.6941 5.6941 5.6941 6.4602 6.4602 6.4602 6.4602 6.9917 6.9917 6.9917 6.9917 8.2519 8.2519 8.2519 8.2519 9.7013 9.7013 9.7013 9.7013 10.5406 10.5406 10.5406 10.5406 13.7434 13.7434 13.7434 13.7434 18.1209 18.1209 k = 0.2778 0.1604 0.3822 ( 2462 PWs) bands (ev): -2.6813 -2.6813 -2.6813 -2.6813 4.3094 4.3094 4.3094 4.3094 5.0250 5.0250 5.0250 5.0250 5.6974 5.6974 5.6974 5.6974 6.4473 6.4473 6.4473 6.4473 7.0026 7.0026 7.0026 7.0026 8.2214 8.2214 8.2214 8.2214 9.7144 9.7144 9.7144 9.7144 10.5048 10.5048 10.5048 10.5048 13.7070 13.7070 13.7070 13.7070 18.2288 18.2288 k = 0.2889 0.1668 0.3822 ( 2460 PWs) bands (ev): -2.6640 -2.6640 -2.6640 -2.6640 4.2885 4.2885 4.2885 4.2885 5.0247 5.0247 5.0247 5.0247 5.7006 5.7006 5.7006 5.7006 6.4343 6.4343 6.4343 6.4343 7.0137 7.0137 7.0137 7.0137 8.1831 8.1831 8.1831 8.1831 9.7375 9.7375 9.7375 9.7375 10.4694 10.4694 10.4694 10.4694 13.6703 13.6703 13.6703 13.6703 18.3335 18.3335 k = 0.3000 0.1732 0.3822 ( 2460 PWs) bands (ev): -2.6470 -2.6470 -2.6470 -2.6470 4.2690 4.2690 4.2690 4.2690 5.0243 5.0243 5.0243 5.0243 5.7036 5.7036 5.7036 5.7036 6.4212 6.4212 6.4212 6.4212 7.0249 7.0249 7.0249 7.0249 8.1387 8.1387 8.1387 8.1387 9.7687 9.7687 9.7687 9.7687 10.4348 10.4348 10.4348 10.4348 13.6336 13.6336 13.6336 13.6336 18.4329 18.4329 k = 0.3111 0.1796 0.3822 ( 2456 PWs) bands (ev): -2.6303 -2.6303 -2.6303 -2.6303 4.2511 4.2511 4.2511 4.2511 5.0236 5.0236 5.0236 5.0236 5.7064 5.7064 5.7064 5.7064 6.4079 6.4079 6.4079 6.4079 7.0362 7.0362 7.0362 7.0362 8.0902 8.0902 8.0902 8.0902 9.8060 9.8060 9.8060 9.8060 10.4012 10.4012 10.4012 10.4012 13.5970 13.5970 13.5970 13.5970 18.5248 18.5248 k = 0.3222 0.1860 0.3822 ( 2460 PWs) bands (ev): -2.6139 -2.6139 -2.6139 -2.6139 4.2347 4.2347 4.2347 4.2347 5.0229 5.0229 5.0229 5.0229 5.7091 5.7091 5.7091 5.7091 6.3946 6.3946 6.3946 6.3946 7.0475 7.0475 7.0475 7.0475 8.0391 8.0391 8.0391 8.0391 9.8476 9.8476 9.8476 9.8476 10.3690 10.3690 10.3690 10.3690 13.5610 13.5610 13.5610 13.5610 18.6064 18.6064 k = 0.3333 0.1925 0.3822 ( 2452 PWs) bands (ev): -2.5980 -2.5980 -2.5980 -2.5980 4.2197 4.2197 4.2197 4.2197 5.0219 5.0219 5.0219 5.0219 5.7115 5.7115 5.7115 5.7115 6.3812 6.3812 6.3812 6.3812 7.0590 7.0590 7.0590 7.0590 7.9869 7.9869 7.9869 7.9869 9.8917 9.8917 9.8917 9.8917 10.3386 10.3386 10.3386 10.3386 13.5255 13.5255 13.5255 13.5255 18.6746 18.6746 k = 0.3444 0.1989 0.3822 ( 2456 PWs) bands (ev): -2.5827 -2.5827 -2.5827 -2.5827 4.2062 4.2062 4.2062 4.2062 5.0208 5.0208 5.0208 5.0208 5.7136 5.7136 5.7136 5.7136 6.3678 6.3678 6.3678 6.3678 7.0704 7.0704 7.0704 7.0704 7.9347 7.9347 7.9347 7.9347 9.9364 9.9364 9.9364 9.9364 10.3106 10.3106 10.3106 10.3106 13.4910 13.4910 13.4910 13.4910 18.7265 18.7265 k = 0.3556 0.2053 0.3822 ( 2460 PWs) bands (ev): -2.5680 -2.5680 -2.5680 -2.5680 4.1942 4.1942 4.1942 4.1942 5.0196 5.0196 5.0196 5.0196 5.7155 5.7155 5.7155 5.7155 6.3544 6.3544 6.3544 6.3544 7.0817 7.0817 7.0817 7.0817 7.8835 7.8835 7.8835 7.8835 9.9798 9.9798 9.9798 9.9798 10.2863 10.2863 10.2863 10.2863 13.4575 13.4575 13.4575 13.4575 18.7607 18.7607 k = 0.3667 0.2117 0.3822 ( 2456 PWs) bands (ev): -2.5540 -2.5540 -2.5540 -2.5540 4.1836 4.1836 4.1836 4.1836 5.0183 5.0183 5.0183 5.0183 5.7171 5.7171 5.7171 5.7171 6.3412 6.3412 6.3412 6.3412 7.0929 7.0929 7.0929 7.0929 7.8342 7.8342 7.8342 7.8342 10.0191 10.0191 10.0191 10.0191 10.2674 10.2674 10.2674 10.2674 13.4254 13.4254 13.4254 13.4254 18.7779 18.7779 k = 0.3778 0.2181 0.3822 ( 2456 PWs) bands (ev): -2.5408 -2.5408 -2.5408 -2.5408 4.1742 4.1742 4.1742 4.1742 5.0168 5.0168 5.0168 5.0168 5.7184 5.7184 5.7184 5.7184 6.3282 6.3282 6.3282 6.3282 7.1040 7.1040 7.1040 7.1040 7.7872 7.7872 7.7872 7.7872 10.0507 10.0507 10.0507 10.0507 10.2569 10.2569 10.2569 10.2569 13.3947 13.3947 13.3947 13.3947 18.7811 18.7811 k = 0.3889 0.2245 0.3822 ( 2460 PWs) bands (ev): -2.5285 -2.5285 -2.5285 -2.5285 4.1662 4.1662 4.1662 4.1662 5.0154 5.0154 5.0154 5.0154 5.7195 5.7195 5.7195 5.7195 6.3156 6.3156 6.3156 6.3156 7.1147 7.1147 7.1147 7.1147 7.7432 7.7432 7.7432 7.7432 10.0703 10.0703 10.0703 10.0703 10.2585 10.2585 10.2585 10.2585 13.3657 13.3657 13.3657 13.3657 18.7742 18.7742 k = 0.4000 0.2309 0.3822 ( 2460 PWs) bands (ev): -2.5171 -2.5171 -2.5171 -2.5171 4.1593 4.1593 4.1593 4.1593 5.0139 5.0139 5.0139 5.0139 5.7204 5.7204 5.7204 5.7204 6.3035 6.3035 6.3035 6.3035 7.1251 7.1251 7.1251 7.1251 7.7024 7.7024 7.7024 7.7024 10.0764 10.0764 10.0764 10.0764 10.2732 10.2732 10.2732 10.2732 13.3386 13.3386 13.3386 13.3386 18.7609 18.7609 k = 0.4111 0.2374 0.3822 ( 2460 PWs) bands (ev): -2.5067 -2.5067 -2.5067 -2.5067 4.1535 4.1535 4.1535 4.1535 5.0124 5.0124 5.0124 5.0124 5.7210 5.7210 5.7210 5.7210 6.2921 6.2921 6.2921 6.2921 7.1350 7.1350 7.1350 7.1350 7.6651 7.6651 7.6651 7.6651 10.0725 10.0725 10.0725 10.0725 10.2970 10.2970 10.2970 10.2970 13.3136 13.3136 13.3136 13.3136 18.7441 18.7441 k = 0.4222 0.2438 0.3822 ( 2456 PWs) bands (ev): -2.4974 -2.4974 -2.4974 -2.4974 4.1486 4.1486 4.1486 4.1486 5.0109 5.0109 5.0109 5.0109 5.7215 5.7215 5.7215 5.7215 6.2815 6.2815 6.2815 6.2815 7.1444 7.1444 7.1444 7.1444 7.6317 7.6317 7.6317 7.6317 10.0634 10.0634 10.0634 10.0634 10.3247 10.3247 10.3247 10.3247 13.2909 13.2909 13.2909 13.2909 18.7259 18.7259 k = 0.4333 0.2502 0.3822 ( 2452 PWs) bands (ev): -2.4892 -2.4892 -2.4892 -2.4892 4.1447 4.1447 4.1447 4.1447 5.0096 5.0096 5.0096 5.0096 5.7218 5.7218 5.7218 5.7218 6.2719 6.2719 6.2719 6.2719 7.1530 7.1530 7.1530 7.1530 7.6022 7.6022 7.6022 7.6022 10.0526 10.0526 10.0526 10.0526 10.3525 10.3525 10.3525 10.3525 13.2707 13.2707 13.2707 13.2707 18.7079 18.7079 k = 0.4444 0.2566 0.3822 ( 2454 PWs) bands (ev): -2.4822 -2.4822 -2.4822 -2.4822 4.1415 4.1415 4.1415 4.1415 5.0083 5.0083 5.0083 5.0083 5.7220 5.7220 5.7220 5.7220 6.2635 6.2635 6.2635 6.2635 7.1607 7.1607 7.1607 7.1607 7.5769 7.5769 7.5769 7.5769 10.0418 10.0418 10.0418 10.0418 10.3781 10.3781 10.3781 10.3781 13.2532 13.2532 13.2532 13.2532 18.6912 18.6912 k = 0.4556 0.2630 0.3822 ( 2462 PWs) bands (ev): -2.4764 -2.4764 -2.4764 -2.4764 4.1391 4.1391 4.1391 4.1391 5.0072 5.0072 5.0072 5.0072 5.7220 5.7220 5.7220 5.7220 6.2564 6.2564 6.2564 6.2564 7.1674 7.1674 7.1674 7.1674 7.5559 7.5559 7.5559 7.5559 10.0322 10.0322 10.0322 10.0322 10.4004 10.4004 10.4004 10.4004 13.2387 13.2387 13.2387 13.2387 18.6766 18.6766 k = 0.4667 0.2694 0.3822 ( 2464 PWs) bands (ev): -2.4719 -2.4719 -2.4719 -2.4719 4.1372 4.1372 4.1372 4.1372 5.0064 5.0064 5.0064 5.0064 5.7221 5.7221 5.7221 5.7221 6.2507 6.2507 6.2507 6.2507 7.1729 7.1729 7.1729 7.1729 7.5393 7.5393 7.5393 7.5393 10.0243 10.0243 10.0243 10.0243 10.4183 10.4183 10.4183 10.4183 13.2272 13.2272 13.2272 13.2272 18.6647 18.6647 k = 0.4778 0.2758 0.3822 ( 2468 PWs) bands (ev): -2.4686 -2.4686 -2.4686 -2.4686 4.1360 4.1360 4.1360 4.1360 5.0057 5.0057 5.0057 5.0057 5.7221 5.7221 5.7221 5.7221 6.2466 6.2466 6.2466 6.2466 7.1770 7.1770 7.1770 7.1770 7.5273 7.5273 7.5273 7.5273 10.0184 10.0184 10.0184 10.0184 10.4315 10.4315 10.4315 10.4315 13.2188 13.2188 13.2188 13.2188 18.6559 18.6559 k = 0.4889 0.2823 0.3822 ( 2472 PWs) bands (ev): -2.4666 -2.4666 -2.4666 -2.4666 4.1353 4.1353 4.1353 4.1353 5.0053 5.0053 5.0053 5.0053 5.7220 5.7220 5.7220 5.7220 6.2440 6.2440 6.2440 6.2440 7.1796 7.1796 7.1796 7.1796 7.5201 7.5201 7.5201 7.5201 10.0148 10.0148 10.0148 10.0148 10.4396 10.4396 10.4396 10.4396 13.2138 13.2138 13.2138 13.2138 18.6505 18.6505 k = 0.5000 0.2887 0.3822 ( 2472 PWs) bands (ev): -2.4660 -2.4660 -2.4660 -2.4660 4.1350 4.1350 4.1350 4.1350 5.0052 5.0052 5.0052 5.0052 5.7220 5.7220 5.7220 5.7220 6.2432 6.2432 6.2432 6.2432 7.1804 7.1804 7.1804 7.1804 7.5177 7.5177 7.5177 7.5177 10.0136 10.0136 10.0136 10.0136 10.4423 10.4423 10.4423 10.4423 13.2121 13.2121 13.2121 13.2121 18.6487 18.6487 k = 0.5000 0.2887 0.3822 ( 2472 PWs) bands (ev): -2.4660 -2.4660 -2.4660 -2.4660 4.1350 4.1350 4.1350 4.1350 5.0052 5.0052 5.0052 5.0052 5.7220 5.7220 5.7220 5.7220 6.2432 6.2432 6.2432 6.2432 7.1804 7.1804 7.1804 7.1804 7.5177 7.5177 7.5177 7.5177 10.0136 10.0136 10.0136 10.0136 10.4423 10.4423 10.4423 10.4423 13.2121 13.2121 13.2121 13.2121 18.6487 18.6487 k = 0.4936 0.2998 0.3822 ( 2472 PWs) bands (ev): -2.4670 -2.4670 -2.4646 -2.4646 4.1346 4.1346 4.1376 4.1376 4.9980 4.9980 5.0115 5.0115 5.7138 5.7138 5.7298 5.7298 6.2367 6.2367 6.2489 6.2489 7.1609 7.1609 7.1997 7.1997 7.5081 7.5081 7.5274 7.5274 9.9372 9.9372 10.0333 10.0333 10.4226 10.4226 10.5210 10.5210 13.2133 13.2133 13.2163 13.2163 18.6084 18.6084 k = 0.4872 0.3109 0.3822 ( 2468 PWs) bands (ev): -2.4676 -2.4676 -2.4629 -2.4629 4.1364 4.1364 4.1424 4.1424 4.9900 4.9900 5.0168 5.0168 5.7051 5.7051 5.7372 5.7372 6.2292 6.2292 6.2537 6.2537 7.1409 7.1409 7.2186 7.2186 7.4988 7.4988 7.5373 7.5373 9.8379 9.8379 9.9818 9.9818 10.4765 10.4765 10.6251 10.6251 13.2201 13.2201 13.2261 13.2261 18.5567 18.5567 k = 0.4808 0.3220 0.3822 ( 2468 PWs) bands (ev): -2.4679 -2.4679 -2.4607 -2.4607 4.1404 4.1404 4.1495 4.1495 4.9812 4.9812 5.0212 5.0212 5.6960 5.6960 5.7442 5.7442 6.2207 6.2207 6.2576 6.2576 7.1205 7.1205 7.2372 7.2372 7.4901 7.4901 7.5471 7.5471 9.7312 9.7312 9.8916 9.8916 10.5712 10.5712 10.7388 10.7388 13.2324 13.2324 13.2412 13.2412 18.4916 18.4916 k = 0.4744 0.3331 0.3822 ( 2464 PWs) bands (ev): -2.4678 -2.4678 -2.4583 -2.4583 4.1464 4.1464 4.1587 4.1587 4.9717 4.9717 5.0246 5.0246 5.6865 5.6865 5.7507 5.7507 6.2112 6.2112 6.2608 6.2608 7.0994 7.0994 7.2552 7.2552 7.4823 7.4823 7.5571 7.5571 9.6231 9.6231 9.7877 9.7877 10.6816 10.6816 10.8561 10.8561 13.2505 13.2505 13.2620 13.2620 18.4116 18.4116 k = 0.4679 0.3442 0.3822 ( 2460 PWs) bands (ev): -2.4673 -2.4673 -2.4555 -2.4555 4.1546 4.1546 4.1702 4.1702 4.9615 4.9615 5.0270 5.0270 5.6765 5.6765 5.7568 5.7568 6.2005 6.2005 6.2631 6.2631 7.0776 7.0776 7.2721 7.2721 7.4760 7.4760 7.5670 7.5670 9.5163 9.5163 9.6796 9.6796 10.7979 10.7979 10.9741 10.9741 13.2745 13.2745 13.2884 13.2884 18.3161 18.3161 k = 0.4615 0.3553 0.3822 ( 2460 PWs) bands (ev): -2.4665 -2.4665 -2.4524 -2.4524 4.1647 4.1647 4.1838 4.1838 4.9507 4.9507 5.0284 5.0284 5.6661 5.6661 5.7625 5.7625 6.1887 6.1887 6.2646 6.2646 7.0549 7.0549 7.2874 7.2874 7.4719 7.4719 7.5770 7.5770 9.4123 9.4123 9.5710 9.5710 10.9159 10.9159 11.0911 11.0911 13.3046 13.3046 13.3207 13.3207 18.2059 18.2059 k = 0.4551 0.3664 0.3822 ( 2460 PWs) bands (ev): -2.4653 -2.4653 -2.4491 -2.4491 4.1767 4.1767 4.1996 4.1996 4.9394 4.9394 5.0288 5.0288 5.6552 5.6552 5.7678 5.7678 6.1757 6.1757 6.2651 6.2651 7.0311 7.0311 7.3000 7.3000 7.4712 7.4712 7.5871 7.5871 9.3121 9.3121 9.4638 9.4638 11.0334 11.0334 11.2057 11.2057 13.3410 13.3410 13.3589 13.3589 18.0828 18.0828 k = 0.4487 0.3775 0.3822 ( 2468 PWs) bands (ev): -2.4638 -2.4638 -2.4455 -2.4455 4.1906 4.1906 4.2175 4.2175 4.9277 4.9277 5.0282 5.0282 5.6439 5.6439 5.7727 5.7727 6.1614 6.1614 6.2648 6.2648 7.0062 7.0062 7.3090 7.3090 7.4750 7.4750 7.5973 7.5973 9.2162 9.2162 9.3590 9.3590 11.1490 11.1490 11.3170 11.3170 13.3837 13.3837 13.4032 13.4032 17.9495 17.9495 k = 0.4423 0.3886 0.3822 ( 2464 PWs) bands (ev): -2.4621 -2.4621 -2.4416 -2.4416 4.2062 4.2062 4.2375 4.2375 4.9157 4.9157 5.0267 5.0267 5.6320 5.6320 5.7772 5.7772 6.1460 6.1460 6.2634 6.2634 6.9802 6.9802 7.3136 7.3136 7.4842 7.4842 7.6075 7.6075 9.1253 9.1253 9.2573 9.2573 11.2614 11.2614 11.4241 11.4241 13.4329 13.4329 13.4538 13.4538 17.8084 17.8084 k = 0.4359 0.3997 0.3822 ( 2456 PWs) bands (ev): -2.4601 -2.4601 -2.4376 -2.4376 4.2234 4.2234 4.2595 4.2595 4.9035 4.9035 5.0241 5.0241 5.6196 5.6196 5.7814 5.7814 6.1294 6.1294 6.2610 6.2610 6.9530 6.9530 7.3139 7.3139 7.4987 7.4987 7.6179 7.6179 9.0398 9.0398 9.1589 9.1589 11.3699 11.3699 11.5261 11.5261 13.4884 13.4884 13.5108 13.5108 17.6619 17.6619 k = 0.4295 0.4108 0.3822 ( 2456 PWs) bands (ev): -2.4579 -2.4579 -2.4334 -2.4334 4.2421 4.2421 4.2834 4.2834 4.8911 4.8911 5.0206 5.0206 5.6065 5.6065 5.7851 5.7851 6.1117 6.1117 6.2574 6.2574 6.9249 6.9249 7.3107 7.3107 7.5179 7.5179 7.6283 7.6283 8.9599 8.9599 9.0643 9.0643 11.4735 11.4735 11.6225 11.6225 13.5503 13.5503 13.5740 13.5740 17.5119 17.5119 k = 0.4231 0.4219 0.3822 ( 2452 PWs) bands (ev): -2.4554 -2.4554 -2.4292 -2.4292 4.2620 4.2620 4.3091 4.3091 4.8788 4.8788 5.0161 5.0161 5.5929 5.5929 5.7885 5.7885 6.0932 6.0932 6.2527 6.2527 6.8960 6.8960 7.3051 7.3051 7.5409 7.5409 7.6387 7.6387 8.8859 8.8859 8.9737 8.9737 11.5717 11.5717 11.7128 11.7128 13.6179 13.6179 13.6435 13.6435 17.3603 17.3603 k = 0.4167 0.4330 0.3822 ( 2450 PWs) bands (ev): -2.4529 -2.4529 -2.4248 -2.4248 4.2830 4.2830 4.3366 4.3366 4.8664 4.8664 5.0106 5.0106 5.5785 5.5785 5.7915 5.7915 6.0740 6.0740 6.2467 6.2467 6.8665 6.8665 7.2978 7.2978 7.5669 7.5669 7.6491 7.6491 8.8180 8.8180 8.8870 8.8870 11.6637 11.6637 11.7967 11.7967 13.6909 13.6909 13.7190 13.7190 17.2084 17.2084 k = 0.4103 0.4441 0.3822 ( 2454 PWs) bands (ev): -2.4502 -2.4502 -2.4205 -2.4205 4.3048 4.3048 4.3658 4.3658 4.8543 4.8543 5.0040 5.0040 5.5634 5.5634 5.7941 5.7941 6.0544 6.0544 6.2395 6.2395 6.8370 6.8370 7.2896 7.2896 7.5953 7.5953 7.6594 7.6594 8.7561 8.7561 8.8046 8.8046 11.7494 11.7494 11.8738 11.8738 13.7682 13.7682 13.7999 13.7999 17.0573 17.0573 k = 0.4038 0.4552 0.3822 ( 2458 PWs) bands (ev): -2.4474 -2.4474 -2.4162 -2.4162 4.3272 4.3272 4.3964 4.3964 4.8425 4.8425 4.9964 4.9964 5.5477 5.5477 5.7963 5.7963 6.0348 6.0348 6.2311 6.2311 6.8078 6.8078 7.2810 7.2810 7.6255 7.6255 7.6695 7.6695 8.7003 8.7003 8.7262 8.7262 11.8282 11.8282 11.9443 11.9443 13.8489 13.8489 13.8856 13.8856 16.9084 16.9084 k = 0.3974 0.4663 0.3822 ( 2454 PWs) bands (ev): -2.4446 -2.4446 -2.4119 -2.4119 4.3499 4.3499 4.4283 4.4283 4.8311 4.8311 4.9876 4.9876 5.5313 5.5313 5.7980 5.7980 6.0154 6.0154 6.2216 6.2216 6.7794 6.7794 7.2723 7.2723 7.6572 7.6572 7.6793 7.6793 8.6505 8.6505 8.6520 8.6520 11.9002 11.9002 12.0081 12.0081 13.9316 13.9316 13.9753 13.9753 16.7625 16.7625 k = 0.3910 0.4774 0.3822 ( 2442 PWs) bands (ev): -2.4418 -2.4418 -2.4078 -2.4078 4.3724 4.3724 4.4613 4.4613 4.8203 4.8203 4.9775 4.9775 5.5145 5.5145 5.7992 5.7992 5.9967 5.9967 6.2112 6.2112 6.7524 6.7524 7.2640 7.2640 7.6885 7.6885 7.6902 7.6902 8.5819 8.5819 8.6066 8.6066 11.9652 11.9652 12.0654 12.0654 14.0147 14.0147 14.0678 14.0678 16.6208 16.6208 k = 0.3846 0.4885 0.3822 ( 2442 PWs) bands (ev): -2.4391 -2.4391 -2.4040 -2.4040 4.3945 4.3945 4.4953 4.4953 4.8101 4.8101 4.9659 4.9659 5.4974 5.4974 5.7999 5.7999 5.9789 5.9789 6.2000 6.2000 6.7272 6.7272 7.2561 7.2561 7.6972 7.6972 7.7242 7.7242 8.5159 8.5159 8.5684 8.5684 12.0232 12.0232 12.1163 12.1163 14.0965 14.0965 14.1617 14.1617 16.4845 16.4845 k = 0.3782 0.4996 0.3822 ( 2442 PWs) bands (ev): -2.4365 -2.4365 -2.4003 -2.4003 4.4155 4.4155 4.5298 4.5298 4.8008 4.8008 4.9528 4.9528 5.4805 5.4805 5.8001 5.8001 5.9625 5.9625 6.1885 6.1885 6.7042 6.7042 7.2488 7.2488 7.7050 7.7050 7.7588 7.7588 8.4539 8.4539 8.5356 8.5356 12.0743 12.0743 12.1611 12.1611 14.1749 14.1749 14.2553 14.2553 16.3550 16.3550 k = 0.3718 0.5107 0.3822 ( 2442 PWs) bands (ev): -2.4341 -2.4341 -2.3970 -2.3970 4.4351 4.4351 4.5645 4.5645 4.7925 4.7925 4.9380 4.9380 5.4642 5.4642 5.7997 5.7997 5.9477 5.9477 6.1771 6.1771 6.6838 6.6838 7.2423 7.2423 7.7120 7.7120 7.7938 7.7938 8.3960 8.3960 8.5082 8.5082 12.1186 12.1186 12.2000 12.2000 14.2480 14.2480 14.3464 14.3464 16.2339 16.2339 k = 0.3654 0.5218 0.3822 ( 2448 PWs) bands (ev): -2.4319 -2.4319 -2.3940 -2.3940 4.4527 4.4527 4.5991 4.5991 4.7853 4.7853 4.9215 4.9215 5.4490 5.4490 5.7989 5.7989 5.9347 5.9347 6.1663 6.1663 6.6662 6.6662 7.2366 7.2366 7.7179 7.7179 7.8287 7.8287 8.3423 8.3423 8.4858 8.4858 12.1561 12.1561 12.2329 12.2329 14.3136 14.3136 14.4326 14.4326 16.1235 16.1235 k = 0.3590 0.5329 0.3822 ( 2446 PWs) bands (ev): -2.4300 -2.4300 -2.3914 -2.3914 4.4678 4.4678 4.6328 4.6328 4.7795 4.7795 4.9033 4.9033 5.4355 5.4355 5.7978 5.7978 5.9238 5.9238 6.1567 6.1567 6.6517 6.6517 7.2319 7.2319 7.7227 7.7227 7.8628 7.8628 8.2934 8.2934 8.4682 8.4682 12.1868 12.1868 12.2601 12.2601 14.3696 14.3696 14.5106 14.5106 16.0265 16.0265 k = 0.3526 0.5440 0.3822 ( 2442 PWs) bands (ev): -2.4284 -2.4284 -2.3894 -2.3894 4.4799 4.4799 4.6647 4.6647 4.7751 4.7751 4.8840 4.8840 5.4243 5.4243 5.7965 5.7965 5.9151 5.9151 6.1486 6.1486 6.6403 6.6403 7.2282 7.2282 7.7263 7.7263 7.8948 7.8948 8.2503 8.2503 8.4550 8.4550 12.2109 12.2109 12.2814 12.2814 14.4142 14.4142 14.5769 14.5769 15.9460 15.9460 k = 0.3462 0.5551 0.3822 ( 2442 PWs) bands (ev): -2.4273 -2.4273 -2.3878 -2.3878 4.4887 4.4887 4.6932 4.6932 4.7721 4.7721 4.8647 4.8647 5.4160 5.4160 5.7953 5.7953 5.9088 5.9088 6.1426 6.1426 6.6320 6.6320 7.2255 7.2255 7.7288 7.7288 7.9226 7.9226 8.2147 8.2147 8.4460 8.4460 12.2281 12.2281 12.2967 12.2967 14.4463 14.4463 14.6275 14.6275 15.8857 15.8857 k = 0.3397 0.5662 0.3822 ( 2442 PWs) bands (ev): -2.4265 -2.4265 -2.3868 -2.3868 4.4939 4.4939 4.7148 4.7148 4.7705 4.7705 4.8487 4.8487 5.4108 5.4108 5.7943 5.7943 5.9049 5.9049 6.1389 6.1389 6.6270 6.6270 7.2239 7.2239 7.7302 7.7302 7.9425 7.9425 8.1904 8.1904 8.4409 8.4409 12.2386 12.2386 12.3061 12.3061 14.4652 14.4652 14.6588 14.6588 15.8487 15.8487 k = 0.3333 0.5774 0.3822 ( 2442 PWs) bands (ev): -2.4262 -2.4262 -2.3865 -2.3865 4.4957 4.4957 4.7235 4.7235 4.7700 4.7700 4.8420 4.8420 5.4091 5.4091 5.7940 5.7940 5.9035 5.9035 6.1377 6.1377 6.6253 6.6253 7.2233 7.2233 7.7306 7.7306 7.9498 7.9498 8.1815 8.1815 8.4392 8.4392 12.2421 12.2421 12.3093 12.3093 14.4713 14.4713 14.6691 14.6691 15.8366 15.8366 k = 0.3333 0.5774 0.3822 ( 2442 PWs) bands (ev): -2.4262 -2.4262 -2.3865 -2.3865 4.4957 4.4957 4.7235 4.7235 4.7700 4.7700 4.8420 4.8420 5.4091 5.4091 5.7940 5.7940 5.9035 5.9035 6.1377 6.1377 6.6253 6.6253 7.2233 7.2233 7.7306 7.7306 7.9498 7.9498 8.1815 8.1815 8.4392 8.4392 12.2421 12.2421 12.3093 12.3093 14.4713 14.4713 14.6691 14.6691 15.8366 15.8366 k = 0.3268 0.5660 0.3822 ( 2442 PWs) bands (ev): -2.4265 -2.4265 -2.3869 -2.3869 4.4940 4.4940 4.7145 4.7145 4.7704 4.7704 4.8490 4.8490 5.4109 5.4109 5.7944 5.7944 5.9050 5.9050 6.1390 6.1390 6.6271 6.6271 7.2239 7.2239 7.7303 7.7303 7.9425 7.9425 8.1904 8.1904 8.4408 8.4408 12.2384 12.2384 12.3059 12.3059 14.4655 14.4655 14.6592 14.6592 15.8483 15.8483 k = 0.3203 0.5547 0.3822 ( 2442 PWs) bands (ev): -2.4274 -2.4274 -2.3880 -2.3880 4.4891 4.4891 4.6922 4.6922 4.7714 4.7714 4.8657 4.8657 5.4160 5.4160 5.7957 5.7957 5.9094 5.9094 6.1427 6.1427 6.6325 6.6325 7.2255 7.2255 7.7293 7.7293 7.9237 7.9237 8.2137 8.2137 8.4453 8.4453 12.2274 12.2274 12.2957 12.2957 14.4495 14.4495 14.6324 14.6324 15.8804 15.8804 k = 0.3137 0.5434 0.3822 ( 2442 PWs) bands (ev): -2.4290 -2.4290 -2.3899 -2.3899 4.4815 4.4815 4.6631 4.6631 4.7728 4.7728 4.8857 4.8857 5.4241 5.4241 5.7979 5.7979 5.9169 5.9169 6.1487 6.1487 6.6418 6.6418 7.2282 7.2282 7.7280 7.7280 7.8987 7.8987 8.2460 8.2460 8.4524 8.4524 12.2089 12.2089 12.2785 12.2785 14.4256 14.4256 14.5936 14.5936 15.9277 15.9277 k = 0.3072 0.5321 0.3822 ( 2442 PWs) bands (ev): -2.4313 -2.4313 -2.3927 -2.3927 4.4717 4.4717 4.6308 4.6308 4.7743 4.7743 4.9061 4.9061 5.4346 5.4346 5.8009 5.8009 5.9277 5.9277 6.1566 6.1566 6.6549 6.6549 7.2318 7.2318 7.7269 7.7269 7.8713 7.8713 8.2838 8.2838 8.4617 8.4617 12.1831 12.1831 12.2543 12.2543 14.3962 14.3962 14.5477 14.5477 15.9850 15.9850 k = 0.3007 0.5207 0.3822 ( 2446 PWs) bands (ev): -2.4343 -2.4343 -2.3963 -2.3963 4.4600 4.4600 4.5971 4.5971 4.7760 4.7760 4.9255 4.9255 5.4468 5.4468 5.8044 5.8044 5.9418 5.9418 6.1660 6.1660 6.6720 6.6720 7.2361 7.2361 7.7262 7.7262 7.8439 7.8439 8.3247 8.3247 8.4729 8.4729 12.1500 12.1500 12.2229 12.2229 14.3636 14.3636 14.4986 14.4986 16.0484 16.0484 k = 0.2941 0.5094 0.3822 ( 2446 PWs) bands (ev): -2.4380 -2.4380 -2.4009 -2.4009 4.4470 4.4470 4.5630 4.5630 4.7777 4.7777 4.9435 4.9435 5.4601 5.4601 5.8082 5.8082 5.9593 5.9593 6.1767 6.1767 6.6930 6.6930 7.2410 7.2410 7.7264 7.7264 7.8179 7.8179 8.3676 8.3676 8.4857 8.4857 12.1100 12.1100 12.1845 12.1845 14.3295 14.3295 14.4490 14.4490 16.1148 16.1148 k = 0.2876 0.4981 0.3822 ( 2454 PWs) bands (ev): -2.4426 -2.4426 -2.4063 -2.4063 4.4330 4.4330 4.5292 4.5292 4.7795 4.7795 4.9601 4.9601 5.4736 5.4736 5.8120 5.8120 5.9802 5.9802 6.1882 6.1882 6.7178 6.7178 7.2460 7.2460 7.7281 7.7281 7.7942 7.7942 8.4120 8.4120 8.4998 8.4998 12.0633 12.0633 12.1393 12.1393 14.2956 14.2956 14.4008 14.4008 16.1820 16.1820 k = 0.2810 0.4868 0.3822 ( 2448 PWs) bands (ev): -2.4481 -2.4481 -2.4127 -2.4127 4.4186 4.4186 4.4963 4.4963 4.7815 4.7815 4.9753 4.9753 5.4869 5.4869 5.8157 5.8157 6.0041 6.0041 6.2002 6.2002 6.7459 6.7459 7.2507 7.2507 7.7319 7.7319 7.7739 7.7739 8.4573 8.4573 8.5151 8.5151 12.0105 12.0105 12.0877 12.0877 14.2629 14.2629 14.3552 14.3552 16.2484 16.2484 k = 0.2745 0.4755 0.3822 ( 2452 PWs) bands (ev): -2.4543 -2.4543 -2.4201 -2.4201 4.4041 4.4041 4.4646 4.4646 4.7838 4.7838 4.9894 4.9894 5.4995 5.4995 5.8189 5.8189 6.0308 6.0308 6.2123 6.2123 6.7769 6.7769 7.2545 7.2545 7.7386 7.7386 7.7580 7.7580 8.5032 8.5032 8.5311 8.5311 11.9521 11.9521 12.0303 12.0303 14.2321 14.2321 14.3127 14.3127 16.3132 16.3132 k = 0.2680 0.4641 0.3822 ( 2448 PWs) bands (ev): -2.4615 -2.4615 -2.4284 -2.4284 4.3899 4.3899 4.4347 4.4347 4.7864 4.7864 5.0023 5.0023 5.5113 5.5113 5.8216 5.8216 6.0598 6.0598 6.2245 6.2245 6.8098 6.8098 7.2567 7.2567 7.7473 7.7473 7.7488 7.7488 8.5478 8.5478 8.5496 8.5496 11.8890 11.8890 11.9676 11.9676 14.2038 14.2038 14.2739 14.2739 16.3757 16.3757 k = 0.2614 0.4528 0.3822 ( 2452 PWs) bands (ev): -2.4695 -2.4695 -2.4377 -2.4377 4.3763 4.3763 4.4066 4.4066 4.7894 4.7894 5.0144 5.0144 5.5219 5.5219 5.8236 5.8236 6.0904 6.0904 6.2365 6.2365 6.8437 6.8437 7.2565 7.2565 7.7429 7.7429 7.7635 7.7635 8.5649 8.5649 8.5962 8.5962 11.8217 11.8217 11.9003 11.9003 14.1782 14.1782 14.2386 14.2386 16.4354 16.4354 k = 0.2549 0.4415 0.3822 ( 2456 PWs) bands (ev): -2.4784 -2.4784 -2.4478 -2.4478 4.3637 4.3637 4.3807 4.3807 4.7929 4.7929 5.0256 5.0256 5.5316 5.5316 5.8248 5.8248 6.1221 6.1221 6.2484 6.2484 6.8774 6.8774 7.2534 7.2534 7.7455 7.7455 7.7836 7.7836 8.5822 8.5822 8.6429 8.6429 11.7512 11.7512 11.8293 11.8293 14.1552 14.1552 14.2067 14.2067 16.4920 16.4920 k = 0.2484 0.4302 0.3822 ( 2460 PWs) bands (ev): -2.4881 -2.4881 -2.4590 -2.4590 4.3523 4.3523 4.3572 4.3572 4.7967 4.7967 5.0361 5.0361 5.5403 5.5403 5.8253 5.8253 6.1543 6.1543 6.2601 6.2601 6.9098 6.9098 7.2470 7.2470 7.7556 7.7556 7.8098 7.8098 8.5997 8.5997 8.6895 8.6895 11.6783 11.6783 11.7553 11.7553 14.1349 14.1349 14.1782 14.1782 16.5456 16.5456 k = 0.2418 0.4189 0.3822 ( 2460 PWs) bands (ev): -2.4987 -2.4987 -2.4710 -2.4710 4.3363 4.3363 4.3424 4.3424 4.8010 4.8010 5.0460 5.0460 5.5481 5.5481 5.8249 5.8249 6.1865 6.1865 6.2717 6.2717 6.9396 6.9396 7.2372 7.2372 7.7733 7.7733 7.8430 7.8430 8.6171 8.6171 8.7358 8.7358 11.6038 11.6038 11.6792 11.6792 14.1171 14.1171 14.1526 14.1526 16.5960 16.5960 k = 0.2353 0.4075 0.3822 ( 2456 PWs) bands (ev): -2.5101 -2.5101 -2.4838 -2.4838 4.3179 4.3179 4.3342 4.3342 4.8058 4.8058 5.0552 5.0552 5.5551 5.5551 5.8237 5.8237 6.2180 6.2180 6.2832 6.2832 6.9660 6.9660 7.2244 7.2244 7.7984 7.7984 7.8835 7.8835 8.6344 8.6344 8.7817 8.7817 11.5287 11.5287 11.6017 11.6017 14.1015 14.1015 14.1299 14.1299 16.6431 16.6431 k = 0.2288 0.3962 0.3822 ( 2460 PWs) bands (ev): -2.5223 -2.5223 -2.4975 -2.4975 4.3024 4.3024 4.3279 4.3279 4.8109 4.8109 5.0639 5.0639 5.5615 5.5615 5.8217 5.8217 6.2486 6.2486 6.2947 6.2947 6.9884 6.9884 7.2090 7.2090 7.8302 7.8302 7.9313 7.9313 8.6515 8.6515 8.8270 8.8270 11.4538 11.4538 11.5238 11.5238 14.0880 14.0880 14.1098 14.1098 16.6871 16.6871 k = 0.2222 0.3849 0.3822 ( 2456 PWs) bands (ev): -2.5352 -2.5352 -2.5119 -2.5119 4.2897 4.2897 4.3235 4.3235 4.8164 4.8164 5.0719 5.0719 5.5674 5.5674 5.8189 5.8189 6.2778 6.2778 6.3061 6.3061 7.0065 7.0065 7.1915 7.1915 7.8679 7.8679 7.9862 7.9862 8.6686 8.6686 8.8715 8.8715 11.3800 11.3800 11.4463 11.4463 14.0765 14.0765 14.0920 14.0920 16.7277 16.7277 k = 0.2157 0.3736 0.3822 ( 2456 PWs) bands (ev): -2.5489 -2.5489 -2.5271 -2.5271 4.2798 4.2798 4.3213 4.3213 4.8222 4.8222 5.0792 5.0792 5.5729 5.5729 5.8154 5.8154 6.3055 6.3055 6.3177 6.3177 7.0203 7.0203 7.1725 7.1725 7.9105 7.9105 8.0471 8.0471 8.6857 8.6857 8.9152 8.9152 11.3082 11.3082 11.3700 11.3700 14.0666 14.0666 14.0763 14.0763 16.7651 16.7651 k = 0.2092 0.3623 0.3822 ( 2458 PWs) bands (ev): -2.5632 -2.5632 -2.5429 -2.5429 4.2729 4.2729 4.3213 4.3213 4.8283 4.8283 5.0859 5.0859 5.5780 5.5780 5.8111 5.8111 6.3293 6.3293 6.3315 6.3315 7.0301 7.0301 7.1526 7.1526 7.9571 7.9571 8.1128 8.1128 8.7034 8.7034 8.9579 8.9579 11.2392 11.2392 11.2956 11.2956 14.0583 14.0583 14.0627 14.0627 16.7991 16.7991 k = 0.2026 0.3509 0.3822 ( 2458 PWs) bands (ev): -2.5782 -2.5782 -2.5593 -2.5593 4.2688 4.2688 4.3235 4.3235 4.8346 4.8346 5.0919 5.0919 5.5829 5.5829 5.8063 5.8063 6.3411 6.3411 6.3558 6.3558 7.0364 7.0364 7.1321 7.1321 8.0064 8.0064 8.1811 8.1811 8.7226 8.7226 8.9996 8.9996 11.1740 11.1740 11.2240 11.2240 14.0509 14.0509 14.0515 14.0515 16.8297 16.8297 k = 0.1961 0.3396 0.3822 ( 2454 PWs) bands (ev): -2.5937 -2.5937 -2.5763 -2.5763 4.2677 4.2677 4.3280 4.3280 4.8411 4.8411 5.0971 5.0971 5.5875 5.5875 5.8008 5.8008 6.3531 6.3531 6.3783 6.3783 7.0396 7.0396 7.1114 7.1114 8.0572 8.0572 8.2492 8.2492 8.7449 8.7449 9.0405 9.0405 11.1134 11.1134 11.1558 11.1558 14.0409 14.0409 14.0460 14.0460 16.8569 16.8569 k = 0.1895 0.3283 0.3822 ( 2450 PWs) bands (ev): -2.6097 -2.6097 -2.5937 -2.5937 4.2695 4.2695 4.3347 4.3347 4.8478 4.8478 5.1016 5.1016 5.5919 5.5919 5.7947 5.7947 6.3652 6.3652 6.3992 6.3992 7.0401 7.0401 7.0907 7.0907 8.1081 8.1081 8.3135 8.3135 8.7730 8.7730 9.0809 9.0809 11.0581 11.0581 11.0919 11.0919 14.0326 14.0326 14.0417 14.0417 16.8805 16.8805 k = 0.1830 0.3170 0.3822 ( 2456 PWs) bands (ev): -2.6261 -2.6261 -2.6115 -2.6115 4.2741 4.2741 4.3437 4.3437 4.8545 4.8545 5.1053 5.1053 5.5962 5.5962 5.7882 5.7882 6.3775 6.3775 6.4185 6.4185 7.0385 7.0385 7.0705 7.0705 8.1575 8.1575 8.3692 8.3692 8.8105 8.8105 9.1213 9.1213 11.0090 11.0090 11.0327 11.0327 14.0259 14.0259 14.0386 14.0386 16.9006 16.9006 k = 0.1765 0.3057 0.3822 ( 2456 PWs) bands (ev): -2.6429 -2.6429 -2.6295 -2.6295 4.2814 4.2814 4.3550 4.3550 4.8614 4.8614 5.1081 5.1081 5.6003 5.6003 5.7812 5.7812 6.3899 6.3899 6.4364 6.4364 7.0351 7.0351 7.0507 7.0507 8.2035 8.2035 8.4116 8.4116 8.8610 8.8610 9.1625 9.1625 10.9666 10.9666 10.9791 10.9791 14.0207 14.0207 14.0365 14.0365 16.9170 16.9170 k = 0.1699 0.2943 0.3822 ( 2456 PWs) bands (ev): -2.6599 -2.6599 -2.6478 -2.6478 4.2915 4.2915 4.3684 4.3684 4.8682 4.8682 5.1101 5.1101 5.6043 5.6043 5.7739 5.7739 6.4026 6.4026 6.4530 6.4530 7.0303 7.0303 7.0315 7.0315 8.2444 8.2444 8.4383 8.4383 8.9261 8.9261 9.2056 9.2056 10.9313 10.9313 10.9314 10.9314 14.0171 14.0171 14.0356 14.0356 16.9297 16.9297 k = 0.1634 0.2830 0.3822 ( 2448 PWs) bands (ev): -2.6771 -2.6771 -2.6663 -2.6663 4.3041 4.3041 4.3839 4.3839 4.8750 4.8750 5.1113 5.1113 5.6082 5.6082 5.7663 5.7663 6.4154 6.4154 6.4685 6.4685 7.0131 7.0131 7.0243 7.0243 8.2783 8.2783 8.4495 8.4495 9.0047 9.0047 9.2518 9.2518 10.8900 10.8900 10.9037 10.9037 14.0150 14.0150 14.0356 14.0356 16.9388 16.9388 k = 0.1569 0.2717 0.3822 ( 2440 PWs) bands (ev): -2.6945 -2.6945 -2.6848 -2.6848 4.3193 4.3193 4.4013 4.4013 4.8818 4.8818 5.1116 5.1116 5.6119 5.6119 5.7585 5.7585 6.4284 6.4284 6.4830 6.4830 6.9955 6.9955 7.0173 7.0173 8.3035 8.3035 8.4473 8.4473 9.0941 9.0941 9.3024 9.3024 10.8552 10.8552 10.8834 10.8834 14.0142 14.0142 14.0365 14.0365 16.9444 16.9444 k = 0.1503 0.2604 0.3822 ( 2442 PWs) bands (ev): -2.7119 -2.7119 -2.7033 -2.7033 4.3369 4.3369 4.4207 4.4207 4.8886 4.8886 5.1111 5.1111 5.6154 5.6154 5.7506 5.7506 6.4415 6.4415 6.4968 6.4968 6.9787 6.9787 7.0096 7.0096 8.3187 8.3187 8.4341 8.4341 9.1915 9.1915 9.3584 9.3584 10.8271 10.8271 10.8704 10.8704 14.0147 14.0147 14.0382 14.0382 16.9466 16.9466 k = 0.1438 0.2491 0.3822 ( 2446 PWs) bands (ev): -2.7293 -2.7293 -2.7216 -2.7216 4.3567 4.3567 4.4417 4.4417 4.8952 4.8952 5.1098 5.1098 5.6188 5.6188 5.7426 5.7426 6.4547 6.4547 6.5099 6.5099 6.9628 6.9628 7.0013 7.0013 8.3234 8.3234 8.4120 8.4120 9.2943 9.2943 9.4205 9.4205 10.8058 10.8058 10.8643 10.8643 14.0163 14.0163 14.0406 14.0406 16.9456 16.9456 k = 0.1373 0.2377 0.3822 ( 2446 PWs) bands (ev): -2.7465 -2.7465 -2.7398 -2.7398 4.3786 4.3786 4.4644 4.4644 4.9018 4.9018 5.1077 5.1077 5.6220 5.6220 5.7346 5.7346 6.4681 6.4681 6.5225 6.5225 6.9478 6.9478 6.9925 6.9925 8.3174 8.3174 8.3825 8.3825 9.4010 9.4010 9.4890 9.4890 10.7910 10.7910 10.8644 10.8644 14.0189 14.0189 14.0436 14.0436 16.9418 16.9418 k = 0.1307 0.2264 0.3822 ( 2448 PWs) bands (ev): -2.7636 -2.7636 -2.7577 -2.7577 4.4024 4.4024 4.4885 4.4885 4.9082 4.9082 5.1048 5.1048 5.6250 5.6250 5.7267 5.7267 6.4816 6.4816 6.5347 6.5347 6.9337 6.9337 6.9832 6.9832 8.3015 8.3015 8.3469 8.3469 9.5102 9.5102 9.5636 9.5636 10.7824 10.7824 10.8700 10.8700 14.0224 14.0224 14.0469 14.0469 16.9355 16.9355 k = 0.1242 0.2151 0.3822 ( 2448 PWs) bands (ev): -2.7804 -2.7804 -2.7753 -2.7753 4.4281 4.4281 4.5137 4.5137 4.9145 4.9145 5.1012 5.1012 5.6279 5.6279 5.7189 5.7189 6.4952 6.4952 6.5466 6.5466 6.9204 6.9204 6.9735 6.9735 8.2767 8.2767 8.3061 8.3061 9.6209 9.6209 9.6437 9.6437 10.7797 10.7797 10.8802 10.8802 14.0263 14.0263 14.0505 14.0505 16.9271 16.9271 k = 0.1176 0.2038 0.3822 ( 2452 PWs) bands (ev): -2.7968 -2.7968 -2.7925 -2.7925 4.4553 4.4553 4.5400 4.5400 4.9207 4.9207 5.0969 5.0969 5.6307 5.6307 5.7115 5.7115 6.5088 6.5088 6.5584 6.5584 6.9079 6.9079 6.9635 6.9635 8.2441 8.2441 8.2611 8.2611 9.7286 9.7286 9.7323 9.7323 10.7823 10.7823 10.8941 10.8941 14.0305 14.0305 14.0539 14.0539 16.9170 16.9170 k = 0.1111 0.1925 0.3822 ( 2456 PWs) bands (ev): -2.8128 -2.8128 -2.8092 -2.8092 4.4840 4.4840 4.5671 4.5671 4.9269 4.9269 5.0919 5.0919 5.6333 5.6333 5.7043 5.7043 6.5225 6.5225 6.5700 6.5700 6.8962 6.8962 6.9531 6.9531 8.2051 8.2051 8.2128 8.2128 9.8174 9.8174 9.8437 9.8437 10.7897 10.7897 10.9110 10.9110 14.0346 14.0346 14.0569 14.0569 16.9060 16.9060 k = 0.1046 0.1811 0.3822 ( 2452 PWs) bands (ev): -2.8283 -2.8283 -2.8253 -2.8253 4.5138 4.5138 4.5947 4.5947 4.9329 4.9329 5.0864 5.0864 5.6358 5.6358 5.6976 5.6976 6.5363 6.5363 6.5815 6.5815 6.8853 6.8853 6.9425 6.9425 8.1611 8.1611 8.1620 8.1620 9.9093 9.9093 9.9545 9.9545 10.8012 10.8012 10.9298 10.9298 14.0381 14.0381 14.0592 14.0592 16.8945 16.8945 k = 0.0980 0.1698 0.3822 ( 2454 PWs) bands (ev): -2.8433 -2.8433 -2.8407 -2.8407 4.5445 4.5445 4.6226 4.6226 4.9388 4.9388 5.0804 5.0804 5.6383 5.6383 5.6913 5.6913 6.5502 6.5502 6.5929 6.5929 6.8750 6.8750 6.9316 6.9316 8.1094 8.1094 8.1133 8.1133 10.0035 10.0035 10.0640 10.0640 10.8162 10.8162 10.9500 10.9500 14.0406 14.0406 14.0602 14.0602 16.8832 16.8832 k = 0.0915 0.1585 0.3822 ( 2454 PWs) bands (ev): -2.8576 -2.8576 -2.8555 -2.8555 4.5760 4.5760 4.6505 4.6505 4.9447 4.9447 5.0740 5.0740 5.6407 5.6407 5.6856 5.6856 6.5641 6.5641 6.6042 6.6042 6.8654 6.8654 6.9204 6.9204 8.0558 8.0558 8.0629 8.0629 10.0990 10.0990 10.1716 10.1716 10.8342 10.8342 10.9706 10.9706 14.0417 14.0417 14.0597 14.0597 16.8728 16.8728 k = 0.0850 0.1472 0.3822 ( 2442 PWs) bands (ev): -2.8712 -2.8712 -2.8696 -2.8696 4.6078 4.6078 4.6781 4.6781 4.9505 4.9505 5.0671 5.0671 5.6431 5.6431 5.6805 5.6805 6.5780 6.5780 6.6155 6.6155 6.8564 6.8564 6.9090 6.9090 8.0020 8.0020 8.0108 8.0108 10.1951 10.1951 10.2767 10.2767 10.8546 10.8546 10.9912 10.9912 14.0409 14.0409 14.0573 14.0573 16.8639 16.8639 k = 0.0784 0.1358 0.3822 ( 2446 PWs) bands (ev): -2.8841 -2.8841 -2.8828 -2.8828 4.6398 4.6398 4.7050 4.7050 4.9562 4.9562 5.0599 5.0599 5.6454 5.6454 5.6760 5.6760 6.5919 6.5919 6.6266 6.6266 6.8479 6.8479 6.8972 6.8972 7.9486 7.9486 7.9582 7.9582 10.2909 10.2909 10.3786 10.3786 10.8766 10.8766 11.0111 11.0111 14.0378 14.0378 14.0524 14.0524 16.8571 16.8571 k = 0.0719 0.1245 0.3822 ( 2438 PWs) bands (ev): -2.8962 -2.8962 -2.8951 -2.8951 4.6716 4.6716 4.7311 4.7311 4.9617 4.9617 5.0525 5.0525 5.6478 5.6478 5.6722 5.6722 6.6058 6.6058 6.6376 6.6376 6.8399 6.8399 6.8853 6.8853 7.8964 7.8964 7.9059 7.9059 10.3857 10.3857 10.4766 10.4766 10.9000 10.9000 11.0298 11.0298 14.0321 14.0321 14.0450 14.0450 16.8528 16.8528 k = 0.0654 0.1132 0.3822 ( 2434 PWs) bands (ev): -2.9073 -2.9073 -2.9066 -2.9066 4.7029 4.7029 4.7559 4.7559 4.9671 4.9671 5.0449 5.0449 5.6502 5.6502 5.6692 5.6692 6.6198 6.6198 6.6484 6.6484 6.8323 6.8323 6.8732 6.8732 7.8459 7.8459 7.8547 7.8547 10.4784 10.4784 10.5698 10.5698 10.9241 10.9241 11.0471 11.0471 14.0238 14.0238 14.0348 14.0348 16.8512 16.8512 k = 0.0588 0.1019 0.3822 ( 2430 PWs) bands (ev): -2.9176 -2.9176 -2.9171 -2.9171 4.7333 4.7333 4.7793 4.7793 4.9722 4.9722 5.0371 5.0371 5.6526 5.6526 5.6668 5.6668 6.6337 6.6337 6.6590 6.6590 6.8252 6.8252 6.8609 6.8609 7.7978 7.7978 7.8056 7.8056 10.5684 10.5684 10.6574 10.6574 10.9485 10.9485 11.0625 11.0625 14.0128 14.0128 14.0219 14.0219 16.8524 16.8524 k = 0.0523 0.0906 0.3822 ( 2430 PWs) bands (ev): -2.9269 -2.9269 -2.9265 -2.9265 4.7625 4.7625 4.8011 4.8011 4.9769 4.9769 5.0294 5.0294 5.6549 5.6549 5.6652 5.6652 6.6475 6.6475 6.6693 6.6693 6.8182 6.8182 6.8485 6.8485 7.7527 7.7527 7.7591 7.7591 10.6544 10.6544 10.7383 10.7383 10.9730 10.9730 11.0758 11.0758 13.9994 13.9994 14.0067 14.0067 16.8561 16.8561 k = 0.0458 0.0792 0.3822 ( 2422 PWs) bands (ev): -2.9353 -2.9353 -2.9350 -2.9350 4.7901 4.7901 4.8210 4.8210 4.9811 4.9811 5.0217 5.0217 5.6571 5.6571 5.6642 5.6642 6.6612 6.6612 6.6793 6.6793 6.8115 6.8115 6.8360 6.8360 7.7112 7.7112 7.7161 7.7161 10.7355 10.7355 10.8116 10.8116 10.9971 10.9971 11.0868 11.0868 13.9841 13.9841 13.9896 13.9896 16.8616 16.8616 k = 0.0392 0.0679 0.3822 ( 2422 PWs) bands (ev): -2.9426 -2.9426 -2.9424 -2.9424 4.8157 4.8157 4.8390 4.8390 4.9845 4.9845 5.0141 5.0141 5.6592 5.6592 5.6638 5.6638 6.6747 6.6747 6.6891 6.6891 6.8048 6.8048 6.8237 6.8237 7.6738 7.6738 7.6773 7.6773 10.8105 10.8105 10.8760 10.8760 11.0208 11.0208 11.0954 11.0954 13.9677 13.9677 13.9716 13.9716 16.8680 16.8680 k = 0.0327 0.0566 0.3822 ( 2418 PWs) bands (ev): -2.9488 -2.9488 -2.9487 -2.9487 4.8389 4.8389 4.8550 4.8550 4.9871 4.9871 5.0070 5.0070 5.6612 5.6612 5.6639 5.6639 6.6879 6.6879 6.6985 6.6985 6.7980 6.7980 6.8116 6.8116 7.6410 7.6410 7.6433 7.6433 10.8782 10.8782 10.9305 10.9305 11.0435 11.0435 11.1014 11.1014 13.9511 13.9511 13.9536 13.9536 16.8743 16.8743 k = 0.0261 0.0453 0.3822 ( 2418 PWs) bands (ev): -2.9539 -2.9539 -2.9539 -2.9539 4.8590 4.8590 4.8689 4.8689 4.9885 4.9885 5.0004 5.0004 5.6628 5.6628 5.6642 5.6642 6.7006 6.7006 6.7078 6.7078 6.7910 6.7910 6.7998 6.7998 7.6133 7.6133 7.6146 7.6146 10.9374 10.9374 10.9746 10.9746 11.0647 11.0647 11.1049 11.1049 13.9353 13.9353 13.9367 13.9367 16.8797 16.8797 k = 0.0196 0.0340 0.3822 ( 2420 PWs) bands (ev): -2.9579 -2.9579 -2.9579 -2.9579 4.8756 4.8756 4.8806 4.8806 4.9889 4.9889 4.9947 4.9947 5.6641 5.6641 5.6647 5.6647 6.7126 6.7126 6.7167 6.7167 6.7839 6.7839 6.7887 6.7887 7.5912 7.5912 7.5918 7.5918 10.9864 10.9864 11.0083 11.0083 11.0830 11.0830 11.1062 11.1062 13.9215 13.9215 13.9221 13.9221 16.8836 16.8837 k = 0.0131 0.0226 0.3822 ( 2420 PWs) bands (ev): -2.9608 -2.9608 -2.9608 -2.9608 4.8880 4.8880 4.8897 4.8897 4.9884 4.9884 4.9903 4.9903 5.6651 5.6651 5.6653 5.6653 6.7234 6.7234 6.7251 6.7251 6.7767 6.7767 6.7786 6.7786 7.5751 7.5751 7.5753 7.5753 11.0238 11.0238 11.0328 11.0328 11.0964 11.0964 11.1058 11.1058 13.9107 13.9107 13.9109 13.9109 16.8858 16.8860 k = 0.0065 0.0113 0.3822 ( 2422 PWs) bands (ev): -2.9625 -2.9625 -2.9625 -2.9625 4.8955 4.8955 4.8957 4.8957 4.9875 4.9875 4.9878 4.9878 5.6657 5.6657 5.6657 5.6657 6.7317 6.7317 6.7320 6.7320 6.7704 6.7704 6.7707 6.7707 7.5653 7.5653 7.5653 7.5653 11.0472 11.0472 11.0487 11.0487 11.1034 11.1034 11.1050 11.1050 13.9038 13.9038 13.9038 13.9038 16.8866 16.8867 k = 0.0000 0.0000 0.3822 ( 2410 PWs) bands (ev): -2.9631 -2.9631 -2.9631 -2.9631 4.8979 4.8979 4.8979 4.8979 4.9870 4.9870 4.9870 4.9870 5.6659 5.6659 5.6659 5.6659 6.7352 6.7352 6.7352 6.7352 6.7675 6.7675 6.7675 6.7675 7.5620 7.5620 7.5620 7.5620 11.0548 11.0548 11.0548 11.0548 11.1050 11.1050 11.1050 11.1050 13.9014 13.9014 13.9014 13.9014 16.8867 16.8867 k = 0.5000 0.2887 0.3822 ( 2472 PWs) bands (ev): -2.4660 -2.4660 -2.4660 -2.4660 4.1350 4.1350 4.1350 4.1350 5.0052 5.0052 5.0052 5.0052 5.7220 5.7220 5.7220 5.7220 6.2432 6.2432 6.2432 6.2432 7.1804 7.1804 7.1804 7.1804 7.5177 7.5177 7.5177 7.5177 10.0136 10.0136 10.0136 10.0136 10.4423 10.4423 10.4423 10.4423 13.2121 13.2121 13.2121 13.2121 18.6487 18.6487 k = 0.5000 0.2887 0.3694 ( 2472 PWs) bands (ev): -2.4663 -2.4663 -2.4659 -2.4659 4.0787 4.0787 4.1904 4.1904 4.9743 4.9743 5.0333 5.0333 5.7115 5.7115 5.7349 5.7349 6.2130 6.2130 6.2768 6.2768 7.1722 7.1722 7.1898 7.1898 7.5058 7.5058 7.5318 7.5318 9.9265 9.9265 10.0936 10.0936 10.3599 10.3599 10.5322 10.5322 13.1163 13.1163 13.3073 13.3073 18.6067 18.6067 k = 0.5000 0.2887 0.3567 ( 2474 PWs) bands (ev): -2.4667 -2.4667 -2.4660 -2.4660 4.0215 4.0215 4.2445 4.2445 4.9417 4.9417 5.0574 5.0574 5.7040 5.7040 5.7498 5.7498 6.1869 6.1869 6.3128 6.3128 7.1652 7.1652 7.2003 7.2003 7.4968 7.4968 7.5478 7.5478 9.8377 9.8377 10.1398 10.1398 10.3116 10.3116 10.6244 10.6244 13.0208 13.0208 13.4013 13.4013 18.5626 18.5626 k = 0.5000 0.2887 0.3440 ( 2474 PWs) bands (ev): -2.4674 -2.4674 -2.4662 -2.4662 3.9639 3.9639 4.2970 4.2970 4.9084 4.9084 5.0764 5.0764 5.7003 5.7003 5.7665 5.7665 6.1655 6.1655 6.3503 6.3503 7.1595 7.1595 7.2114 7.2114 7.4913 7.4913 7.5651 7.5651 9.7486 9.7486 10.1021 10.1021 10.3478 10.3478 10.7171 10.7171 12.9263 12.9263 13.4935 13.4935 18.5164 18.5164 k = 0.5000 0.2887 0.3312 ( 2478 PWs) bands (ev): -2.4682 -2.4682 -2.4667 -2.4667 3.9058 3.9058 4.3474 4.3474 4.8755 4.8755 5.0894 5.0894 5.7010 5.7010 5.7850 5.7850 6.1491 6.1491 6.3880 6.3880 7.1548 7.1548 7.2229 7.2229 7.4902 7.4902 7.5836 7.5836 9.6598 9.6598 10.0219 10.0219 10.4270 10.4270 10.8097 10.8097 12.8337 12.8337 13.5831 13.5831 18.4665 18.4665 k = 0.5000 0.2887 0.3185 ( 2474 PWs) bands (ev): -2.4691 -2.4691 -2.4673 -2.4673 3.8476 3.8476 4.3948 4.3948 4.8443 4.8443 5.0958 5.0958 5.7065 5.7065 5.8057 5.8057 6.1378 6.1378 6.4251 6.4251 7.1511 7.1511 7.2343 7.2343 7.4942 7.4942 7.6030 7.6030 9.5716 9.5716 9.9322 9.9322 10.5161 10.5161 10.9016 10.9016 12.7441 12.7441 13.6697 13.6697 18.4106 18.4106 k = 0.5000 0.2887 0.3058 ( 2470 PWs) bands (ev): -2.4702 -2.4702 -2.4681 -2.4681 3.7895 3.7895 4.4378 4.4378 4.8162 4.8162 5.0957 5.0957 5.7167 5.7167 5.8290 5.8290 6.1316 6.1316 6.4605 6.4605 7.1478 7.1478 7.2452 7.2452 7.5040 7.5040 7.6230 7.6230 9.4841 9.4841 9.8398 9.8398 10.6084 10.6084 10.9923 10.9923 12.6587 12.6587 13.7528 13.7528 18.3454 18.3454 k = 0.5000 0.2887 0.2930 ( 2470 PWs) bands (ev): -2.4715 -2.4715 -2.4690 -2.4690 3.7315 3.7315 4.4745 4.4745 4.7938 4.7938 5.0895 5.0895 5.7308 5.7308 5.8552 5.8552 6.1303 6.1303 6.4936 6.4936 7.1447 7.1447 7.2554 7.2554 7.5199 7.5199 7.6435 7.6435 9.3975 9.3975 9.7465 9.7465 10.7019 10.7019 11.0812 11.0812 12.5788 12.5788 13.8319 13.8319 18.2678 18.2678 k = 0.5000 0.2887 0.2803 ( 2462 PWs) bands (ev): -2.4728 -2.4728 -2.4701 -2.4701 3.6740 3.6740 4.5015 4.5015 4.7800 4.7800 5.0784 5.0784 5.7479 5.7479 5.8850 5.8850 6.1337 6.1337 6.5240 6.5240 7.1415 7.1415 7.2648 7.2648 7.5415 7.5415 7.6642 7.6642 9.3118 9.3118 9.6532 9.6532 10.7960 10.7960 11.1672 11.1672 12.5062 12.5062 13.9067 13.9067 18.1759 18.1759 k = 0.5000 0.2887 0.2675 ( 2454 PWs) bands (ev): -2.4743 -2.4743 -2.4714 -2.4714 3.6172 3.6172 4.5157 4.5157 4.7781 4.7781 5.0637 5.0637 5.7668 5.7668 5.9183 5.9183 6.1417 6.1417 6.5514 6.5514 7.1379 7.1379 7.2734 7.2734 7.5683 7.5683 7.6851 7.6851 9.2271 9.2271 9.5601 9.5601 10.8900 10.8900 11.2489 11.2489 12.4432 12.4432 13.9768 13.9768 18.0700 18.0700 k = 0.5000 0.2887 0.2548 ( 2454 PWs) bands (ev): -2.4759 -2.4759 -2.4727 -2.4727 3.5613 3.5613 4.5160 4.5160 4.7888 4.7888 5.0470 5.0470 5.7868 5.7868 5.9552 5.9552 6.1541 6.1541 6.5760 6.5760 7.1340 7.1340 7.2815 7.2815 7.5990 7.5990 7.7060 7.7060 9.1434 9.1434 9.4678 9.4678 10.9837 10.9837 11.3243 11.3243 12.3926 12.3926 14.0420 14.0420 17.9521 17.9521 k = 0.5000 0.2887 0.2421 ( 2450 PWs) bands (ev): -2.4775 -2.4775 -2.4742 -2.4742 3.5065 3.5065 4.5051 4.5051 4.8084 4.8084 5.0300 5.0300 5.8071 5.8071 5.9952 5.9952 6.1708 6.1708 6.5978 6.5978 7.1298 7.1298 7.2890 7.2890 7.6323 7.6323 7.7268 7.7268 9.0608 9.0608 9.3765 9.3765 11.0766 11.0766 11.3907 11.3907 12.3581 12.3581 14.1023 14.1023 17.8246 17.8246 k = 0.5000 0.2887 0.2293 ( 2450 PWs) bands (ev): -2.4792 -2.4792 -2.4758 -2.4758 3.4530 3.4530 4.4871 4.4871 4.8313 4.8313 5.0154 5.0154 5.8277 5.8277 6.0375 6.0375 6.1919 6.1919 6.6174 6.6174 7.1255 7.1255 7.2959 7.2959 7.6666 7.6666 7.7474 7.7474 8.9793 8.9793 9.2865 9.2865 11.1681 11.1681 11.4454 11.4454 12.3435 12.3435 14.1575 14.1575 17.6899 17.6899 k = 0.5000 0.2887 0.2166 ( 2454 PWs) bands (ev): -2.4809 -2.4809 -2.4774 -2.4774 3.4011 3.4011 4.4654 4.4654 4.8511 4.8511 5.0068 5.0068 5.8483 5.8483 6.0811 6.0811 6.2176 6.2176 6.6350 6.6350 7.1214 7.1214 7.3020 7.3020 7.7006 7.7006 7.7677 7.7677 8.8989 8.8989 9.1981 9.1981 11.2574 11.2574 11.4863 11.4863 12.3521 12.3521 14.2076 14.2076 17.5495 17.5495 k = 0.5000 0.2887 0.2038 ( 2454 PWs) bands (ev): -2.4826 -2.4826 -2.4791 -2.4791 3.3510 3.3510 4.4419 4.4419 4.8616 4.8616 5.0088 5.0088 5.8689 5.8689 6.1250 6.1250 6.2482 6.2482 6.6511 6.6511 7.1178 7.1178 7.3071 7.3071 7.7327 7.7327 7.7876 7.7876 8.8198 8.8198 9.1118 9.1118 11.3422 11.3422 11.5144 11.5144 12.3855 12.3855 14.2528 14.2528 17.4044 17.4044 k = 0.5000 0.2887 0.1911 ( 2452 PWs) bands (ev): -2.4844 -2.4844 -2.4808 -2.4808 3.3028 3.3028 4.4180 4.4180 4.8603 4.8603 5.0229 5.0229 5.8896 5.8896 6.1682 6.1682 6.2838 6.2838 6.6660 6.6660 7.1150 7.1150 7.3108 7.3108 7.7617 7.7617 7.8071 7.8071 8.7419 8.7419 9.0280 9.0280 11.4154 11.4154 11.5384 11.5384 12.4423 12.4423 14.2932 14.2932 17.2553 17.2553 k = 0.5000 0.2887 0.1784 ( 2456 PWs) bands (ev): -2.4861 -2.4861 -2.4826 -2.4826 3.2568 3.2568 4.3944 4.3944 4.8502 4.8502 5.0455 5.0455 5.9103 5.9103 6.2100 6.2100 6.3245 6.3245 6.6801 6.6801 7.1134 7.1134 7.3130 7.3130 7.7870 7.7870 7.8254 7.8254 8.6655 8.6655 8.9470 8.9470 11.4588 11.4588 11.5799 11.5799 12.5194 12.5194 14.3290 14.3290 17.1023 17.1023 k = 0.5000 0.2887 0.1656 ( 2458 PWs) bands (ev): -2.4877 -2.4877 -2.4843 -2.4843 3.2132 3.2132 4.3716 4.3716 4.8357 4.8357 5.0721 5.0721 5.9310 5.9310 6.2504 6.2504 6.3697 6.3697 6.6936 6.6936 7.1133 7.1133 7.3132 7.3132 7.8083 7.8083 7.8418 7.8418 8.5907 8.5907 8.8695 8.8695 11.4679 11.4679 11.6468 11.6468 12.6130 12.6130 14.3606 14.3606 16.9453 16.9453 k = 0.5000 0.2887 0.1529 ( 2458 PWs) bands (ev): -2.4894 -2.4894 -2.4860 -2.4860 3.1722 3.1722 4.3499 4.3499 4.8194 4.8194 5.0996 5.0996 5.9515 5.9515 6.2895 6.2895 6.4184 6.4184 6.7068 6.7068 7.1151 7.1151 7.3113 7.3113 7.8261 7.8261 7.8549 7.8549 8.5178 8.5178 8.7961 8.7961 11.4620 11.4620 11.7229 11.7229 12.7199 12.7199 14.3882 14.3882 16.7840 16.7840 k = 0.5000 0.2887 0.1401 ( 2460 PWs) bands (ev): -2.4909 -2.4909 -2.4877 -2.4877 3.1338 3.1338 4.3295 4.3295 4.8029 4.8029 5.1266 5.1266 5.9717 5.9717 6.3278 6.3278 6.4693 6.4693 6.7197 6.7197 7.1191 7.1191 7.3068 7.3068 7.8407 7.8407 7.8634 7.8634 8.4472 8.4472 8.7271 8.7271 11.4513 11.4513 11.7998 11.7998 12.8376 12.8376 14.4121 14.4121 16.6181 16.6181 k = 0.5000 0.2887 0.1274 ( 2460 PWs) bands (ev): -2.4924 -2.4924 -2.4894 -2.4894 3.0983 3.0983 4.3106 4.3106 4.7868 4.7868 5.1521 5.1521 5.9913 5.9913 6.3654 6.3654 6.5216 6.5216 6.7325 6.7325 7.1258 7.1258 7.2994 7.2994 7.8525 7.8525 7.8664 7.8664 8.3797 8.3797 8.6634 8.6634 11.4397 11.4397 11.8748 11.8748 12.9644 12.9644 14.4326 14.4326 16.4477 16.4477 k = 0.5000 0.2887 0.1147 ( 2464 PWs) bands (ev): -2.4937 -2.4937 -2.4909 -2.4909 3.0658 3.0658 4.2932 4.2932 4.7717 4.7717 5.1756 5.1756 6.0102 6.0102 6.4022 6.4022 6.5742 6.5742 6.7454 6.7454 7.1355 7.1355 7.2891 7.2891 7.8599 7.8599 7.8647 7.8647 8.3161 8.3161 8.6053 8.6053 11.4287 11.4287 11.9465 11.9465 13.0988 13.0988 14.4501 14.4501 16.2730 16.2730 k = 0.5000 0.2887 0.1019 ( 2470 PWs) bands (ev): -2.4950 -2.4950 -2.4923 -2.4923 3.0364 3.0364 4.2775 4.2775 4.7577 4.7577 5.1968 5.1968 6.0280 6.0280 6.4379 6.4379 6.6261 6.6261 6.7587 6.7587 7.1483 7.1483 7.2756 7.2756 7.8514 7.8514 7.8693 7.8693 8.2577 8.2577 8.5535 8.5535 11.4193 11.4193 12.0139 12.0139 13.2400 13.2400 14.4648 14.4648 16.0946 16.0946 k = 0.5000 0.2887 0.0892 ( 2462 PWs) bands (ev): -2.4961 -2.4961 -2.4937 -2.4937 3.0102 3.0102 4.2635 4.2635 4.7452 4.7452 5.2156 5.2156 6.0445 6.0445 6.4720 6.4720 6.6759 6.6759 6.7732 6.7732 7.1642 7.1642 7.2589 7.2589 7.8337 7.8337 7.8733 7.8733 8.2056 8.2056 8.5082 8.5082 11.4116 11.4116 12.0761 12.0761 13.3871 13.3871 14.4771 14.4771 15.9133 15.9133 k = 0.5000 0.2887 0.0764 ( 2462 PWs) bands (ev): -2.4971 -2.4971 -2.4949 -2.4949 2.9873 2.9873 4.2514 4.2514 4.7341 4.7341 5.2319 5.2319 6.0594 6.0594 6.5037 6.5037 6.7202 6.7202 6.7917 6.7917 7.1825 7.1825 7.2397 7.2397 7.8088 7.8088 7.8749 7.8749 8.1611 8.1611 8.4697 8.4697 11.4056 11.4056 12.1323 12.1323 13.5394 13.5394 14.4871 14.4871 15.7303 15.7303 k = 0.5000 0.2887 0.0637 ( 2462 PWs) bands (ev): -2.4979 -2.4979 -2.4959 -2.4959 2.9678 2.9678 4.2410 4.2410 4.7247 4.7247 5.2456 5.2456 6.0725 6.0725 6.5322 6.5322 6.7531 6.7531 6.8197 6.8197 7.1955 7.1955 7.2252 7.2252 7.7779 7.7779 7.8742 7.8742 8.1250 8.1250 8.4379 8.4379 11.4011 11.4011 12.1816 12.1816 13.6960 13.6960 14.4952 14.4952 15.5468 15.5468 k = 0.5000 0.2887 0.0510 ( 2464 PWs) bands (ev): -2.4986 -2.4986 -2.4968 -2.4968 2.9518 2.9518 4.2324 4.2324 4.7169 4.7169 5.2568 5.2568 6.0835 6.0835 6.5569 6.5569 6.7726 6.7726 6.8584 6.8584 7.1792 7.1792 7.2389 7.2389 7.7433 7.7433 7.8716 7.8716 8.0972 8.0972 8.4127 8.4127 11.3979 11.3979 12.2233 12.2233 13.8556 13.8556 14.5015 14.5015 15.3645 15.3645 k = 0.5000 0.2887 0.0382 ( 2464 PWs) bands (ev): -2.4991 -2.4991 -2.4976 -2.4976 2.9392 2.9392 4.2258 4.2258 4.7108 4.7108 5.2654 5.2654 6.0923 6.0923 6.5767 6.5767 6.7845 6.7845 6.9017 6.9017 7.1502 7.1502 7.2626 7.2626 7.7082 7.7082 7.8679 7.8679 8.0772 8.0772 8.3937 8.3937 11.3958 11.3958 12.2566 12.2566 14.0163 14.0163 14.5061 14.5061 15.1860 15.1860 k = 0.5000 0.2887 0.0255 ( 2464 PWs) bands (ev): -2.4994 -2.4994 -2.4981 -2.4981 2.9302 2.9302 4.2210 4.2210 4.7064 4.7064 5.2716 5.2716 6.0987 6.0987 6.5913 6.5913 6.7922 6.7922 6.9450 6.9450 7.1174 7.1174 7.2854 7.2854 7.6769 7.6769 7.8642 7.8642 8.0638 8.0638 8.3805 8.3805 11.3944 11.3944 12.2809 12.2809 14.1732 14.1732 14.5088 14.5088 15.0165 15.0165 k = 0.5000 0.2887 0.0127 ( 2460 PWs) bands (ev): -2.4996 -2.4996 -2.4984 -2.4984 2.9248 2.9248 4.2182 4.2182 4.7038 4.7038 5.2753 5.2753 6.1025 6.1025 6.6002 6.6002 6.7967 6.7967 6.9850 6.9850 7.0838 7.0838 7.3023 7.3023 7.6546 7.6546 7.8615 7.8615 8.0563 8.0563 8.3727 8.3727 11.3937 11.3937 12.2957 12.2957 14.3117 14.3117 14.5092 14.5092 14.8716 14.8716 k = 0.5000 0.2887-0.0000 ( 2462 PWs) bands (ev): -2.4997 -2.4997 -2.4986 -2.4986 2.9230 2.9230 4.2172 4.2172 4.7029 4.7029 5.2765 5.2765 6.1038 6.1038 6.6032 6.6032 6.7982 6.7982 7.0080 7.0080 7.0630 7.0630 7.3086 7.3086 7.6464 7.6464 7.8605 7.8605 8.0538 8.0538 8.3702 8.3702 11.3935 11.3935 12.3007 12.3007 14.3795 14.3795 14.5075 14.5075 14.8036 14.8036 k = 0.3333 0.5774-0.0000 ( 2502 PWs) bands (ev): -2.4449 -2.4449 -2.4053 -2.4053 2.8891 2.8891 4.2272 4.2272 4.5035 4.5035 5.3136 5.3136 5.6221 5.6221 6.0754 6.0754 6.2820 6.2820 7.3380 7.3380 7.6482 7.6482 7.6947 7.6947 7.7267 7.7267 8.1563 8.1563 9.3347 9.3347 9.4708 9.4708 9.5924 9.5924 9.7349 9.7349 13.5030 13.5030 15.0549 15.0549 17.4247 17.4247 k = 0.3333 0.5774 0.0127 ( 2502 PWs) bands (ev): -2.4449 -2.4449 -2.4052 -2.4052 2.8915 2.8915 4.2279 4.2279 4.5041 4.5041 5.3145 5.3145 5.6212 5.6212 6.0760 6.0760 6.2809 6.2809 7.3373 7.3373 7.6288 7.6288 7.7011 7.7011 7.7322 7.7322 8.1554 8.1554 9.3139 9.3139 9.4351 9.4351 9.6329 9.6329 9.7583 9.7583 13.5040 13.5040 15.0547 15.0547 17.4286 17.4286 k = 0.3333 0.5774 0.0255 ( 2490 PWs) bands (ev): -2.4447 -2.4447 -2.4050 -2.4050 2.8985 2.8985 4.2298 4.2298 4.5057 4.5057 5.3171 5.3171 5.6183 5.6183 6.0779 6.0779 6.2777 6.2777 7.3350 7.3350 7.5906 7.5906 7.7006 7.7006 7.7487 7.7487 8.1529 8.1529 9.2618 9.2618 9.3737 9.3737 9.7083 9.7083 9.8179 9.8179 13.5072 13.5072 15.0539 15.0539 17.4404 17.4404 k = 0.3333 0.5774 0.0382 ( 2472 PWs) bands (ev): -2.4445 -2.4445 -2.4048 -2.4048 2.9103 2.9103 4.2329 4.2329 4.5085 4.5085 5.3215 5.3215 5.6137 5.6137 6.0808 6.0808 6.2724 6.2724 7.3302 7.3302 7.5450 7.5450 7.6925 7.6925 7.7667 7.7667 8.1488 8.1488 9.1945 9.1945 9.3111 9.3111 9.7939 9.7939 9.8977 9.8977 13.5126 13.5126 15.0526 15.0526 17.4595 17.4595 k = 0.3333 0.5774 0.0510 ( 2472 PWs) bands (ev): -2.4441 -2.4441 -2.4044 -2.4044 2.9268 2.9268 4.2373 4.2373 4.5124 4.5124 5.3276 5.3276 5.6075 5.6075 6.0848 6.0848 6.2652 6.2652 7.3215 7.3215 7.4947 7.4947 7.6809 7.6809 7.7812 7.7812 8.1429 8.1429 9.1212 9.1212 9.2513 9.2513 9.8854 9.8854 9.9886 9.9886 13.5203 13.5203 15.0507 15.0507 17.4851 17.4851 k = 0.3333 0.5774 0.0637 ( 2466 PWs) bands (ev): -2.4437 -2.4437 -2.4040 -2.4040 2.9479 2.9479 4.2428 4.2428 4.5173 4.5173 5.3354 5.3354 5.5997 5.5997 6.0896 6.0896 6.2561 6.2561 7.3062 7.3062 7.4421 7.4421 7.6679 7.6679 7.7912 7.7912 8.1354 8.1354 9.0464 9.0464 9.1950 9.1950 9.9815 9.9815 10.0859 10.0859 13.5307 13.5307 15.0483 15.0483 17.5162 17.5162 k = 0.3333 0.5774 0.0764 ( 2463 PWs) bands (ev): -2.4432 -2.4432 -2.4035 -2.4035 2.9736 2.9736 4.2496 4.2496 4.5232 4.5232 5.3448 5.3448 5.5907 5.5907 6.0951 6.0951 6.2453 6.2453 7.2792 7.2792 7.3915 7.3915 7.6553 7.6553 7.7964 7.7964 8.1262 8.1262 8.9722 8.9722 9.1422 9.1422 10.0816 10.0816 10.1877 10.1877 13.5439 13.5439 15.0452 15.0452 17.5508 17.5508 k = 0.3333 0.5774 0.0892 ( 2463 PWs) bands (ev): -2.4425 -2.4425 -2.4029 -2.4029 3.0040 3.0040 4.2574 4.2574 4.5301 4.5301 5.3559 5.3559 5.5807 5.5807 6.1010 6.1010 6.2330 6.2330 7.2348 7.2348 7.3479 7.3479 7.6447 7.6447 7.7969 7.7969 8.1153 8.1153 8.8998 8.8998 9.0926 9.0926 10.1851 10.1851 10.2925 10.2925 13.5601 13.5601 15.0414 15.0414 17.5861 17.5861 k = 0.3333 0.5774 0.1019 ( 2463 PWs) bands (ev): -2.4419 -2.4419 -2.4022 -2.4022 3.0389 3.0389 4.2663 4.2663 4.5379 4.5379 5.3686 5.3686 5.5698 5.5698 6.1071 6.1071 6.2193 6.2193 7.1730 7.1730 7.3108 7.3108 7.6374 7.6374 7.7930 7.7930 8.1027 8.1027 8.8301 8.8301 9.0459 9.0459 10.2917 10.2917 10.3996 10.3996 13.5795 13.5795 15.0368 15.0368 17.6175 17.6175 k = 0.3333 0.5774 0.1147 ( 2469 PWs) bands (ev): -2.4411 -2.4411 -2.4014 -2.4014 3.0783 3.0783 4.2763 4.2763 4.5465 4.5465 5.3828 5.3828 5.5583 5.5583 6.1134 6.1134 6.2044 6.2044 7.0991 7.0991 7.2751 7.2751 7.6336 7.6336 7.7853 7.7853 8.0883 8.0883 8.7635 8.7635 9.0017 9.0017 10.4009 10.4009 10.5085 10.5085 13.6023 13.6023 15.0315 15.0315 17.6375 17.6375 k = 0.3333 0.5774 0.1274 ( 2463 PWs) bands (ev): -2.4403 -2.4403 -2.4006 -2.4006 3.1223 3.1223 4.2871 4.2871 4.5558 4.5558 5.3985 5.3985 5.5464 5.5464 6.1195 6.1195 6.1886 6.1886 7.0172 7.0172 7.2377 7.2377 7.6330 7.6330 7.7743 7.7743 8.0723 8.0723 8.7004 8.7004 8.9596 8.9596 10.5125 10.5125 10.6187 10.6187 13.6286 13.6286 15.0253 15.0253 17.6356 17.6356 k = 0.3333 0.5774 0.1401 ( 2463 PWs) bands (ev): -2.4394 -2.4394 -2.3997 -2.3997 3.1706 3.1706 4.2988 4.2988 4.5658 4.5658 5.4156 5.4156 5.5343 5.5343 6.1253 6.1253 6.1719 6.1719 6.9293 6.9293 7.1977 7.1977 7.6342 7.6342 7.7613 7.7613 8.0546 8.0546 8.6412 8.6412 8.9193 8.9193 10.6260 10.6260 10.7298 10.7298 13.6584 13.6584 15.0182 15.0182 17.6022 17.6022 k = 0.3333 0.5774 0.1529 ( 2469 PWs) bands (ev): -2.4385 -2.4385 -2.3988 -2.3988 3.2233 3.2233 4.3113 4.3113 4.5764 4.5764 5.4340 5.4340 5.5222 5.5222 6.1308 6.1308 6.1547 6.1547 6.8364 6.8364 7.1556 7.1556 7.6349 7.6349 7.7484 7.7484 8.0354 8.0354 8.5859 8.5859 8.8805 8.8805 10.7411 10.7411 10.8413 10.8413 13.6916 13.6916 15.0100 15.0100 17.5355 17.5355 k = 0.3333 0.5774 0.1656 ( 2475 PWs) bands (ev): -2.4376 -2.4376 -2.3979 -2.3979 3.2802 3.2802 4.3244 4.3244 4.5874 4.5874 5.4537 5.4537 5.5102 5.5102 6.1357 6.1357 6.1369 6.1369 6.7393 6.7393 7.1119 7.1119 7.6314 7.6314 7.7390 7.7390 8.0147 8.0147 8.5349 8.5349 8.8430 8.8430 10.8573 10.8573 10.9529 10.9529 13.7281 13.7281 15.0008 15.0008 17.4427 17.4427 k = 0.3333 0.5774 0.1784 ( 2475 PWs) bands (ev): -2.4366 -2.4366 -2.3969 -2.3969 3.3414 3.3414 4.3381 4.3381 4.5988 4.5988 5.4745 5.4745 5.4985 5.4985 6.1187 6.1187 6.1400 6.1400 6.6387 6.6387 7.0674 7.0674 7.6202 7.6202 7.7366 7.7366 7.9926 7.9926 8.4880 8.4880 8.8067 8.8067 10.9743 10.9743 11.0641 11.0641 13.7677 13.7677 14.9904 14.9904 17.3327 17.3327 k = 0.3333 0.5774 0.1911 ( 2457 PWs) bands (ev): -2.4356 -2.4356 -2.3959 -2.3959 3.4067 3.4067 4.3522 4.3522 4.6103 4.6103 5.4872 5.4872 5.4962 5.4962 6.1003 6.1003 6.1436 6.1436 6.5350 6.5350 7.0227 7.0227 7.6005 7.6005 7.7419 7.7419 7.9696 7.9696 8.4453 8.4453 8.7715 8.7715 11.0915 11.0915 11.1745 11.1745 13.8101 13.8101 14.9787 14.9787 17.2124 17.2124 k = 0.3333 0.5774 0.2038 ( 2457 PWs) bands (ev): -2.4346 -2.4346 -2.3949 -2.3949 3.4760 3.4760 4.3666 4.3666 4.6219 4.6219 5.4765 5.4765 5.5188 5.5188 6.0815 6.0815 6.1464 6.1464 6.4288 6.4288 6.9786 6.9786 7.5742 7.5742 7.7529 7.7529 7.9458 7.9458 8.4068 8.4068 8.7374 8.7374 11.2085 11.2085 11.2835 11.2835 13.8552 13.8552 14.9657 14.9657 17.0863 17.0863 k = 0.3333 0.5774 0.2166 ( 2454 PWs) bands (ev): -2.4337 -2.4337 -2.3940 -2.3940 3.5492 3.5492 4.3812 4.3812 4.6335 4.6335 5.4664 5.4664 5.5421 5.5421 6.0621 6.0621 6.1485 6.1485 6.3209 6.3209 6.9355 6.9355 7.5438 7.5438 7.7674 7.7674 7.9217 7.9217 8.3721 8.3721 8.7043 8.7043 11.3246 11.3246 11.3905 11.3905 13.9024 13.9024 14.9513 14.9513 16.9576 16.9576 k = 0.3333 0.5774 0.2293 ( 2466 PWs) bands (ev): -2.4327 -2.4327 -2.3930 -2.3930 3.6262 3.6262 4.3957 4.3957 4.6449 4.6449 5.4571 5.4571 5.5659 5.5659 6.0408 6.0408 6.1498 6.1498 6.2132 6.2132 6.8938 6.8938 7.5109 7.5109 7.7841 7.7841 7.8976 7.8976 8.3411 8.3411 8.6724 8.6724 11.4392 11.4392 11.4951 11.4951 13.9514 13.9514 14.9353 14.9353 16.8286 16.8286 k = 0.3333 0.5774 0.2421 ( 2460 PWs) bands (ev): -2.4318 -2.4318 -2.3921 -2.3921 3.7069 3.7069 4.4101 4.4101 4.6560 4.6560 5.4487 5.4487 5.5899 5.5899 6.0115 6.0115 6.1121 6.1121 6.1504 6.1504 6.8541 6.8541 7.4766 7.4766 7.8021 7.8021 7.8740 7.8740 8.3136 8.3136 8.6416 8.6416 11.5515 11.5515 11.5964 11.5964 14.0019 14.0019 14.9178 14.9178 16.7009 16.7009 k = 0.3333 0.5774 0.2548 ( 2460 PWs) bands (ev): -2.4309 -2.4309 -2.3912 -2.3912 3.7911 3.7911 4.4242 4.4242 4.6666 4.6666 5.4410 5.4410 5.6139 5.6139 5.9477 5.9477 6.0447 6.0447 6.1503 6.1503 6.8167 6.8167 7.4418 7.4418 7.8207 7.8207 7.8513 7.8513 8.2892 8.2892 8.6121 8.6121 11.6607 11.6607 11.6937 11.6937 14.0533 14.0533 14.8987 14.8987 16.5763 16.5763 k = 0.3333 0.5774 0.2675 ( 2466 PWs) bands (ev): -2.4301 -2.4301 -2.3904 -2.3904 3.8787 3.8787 4.4377 4.4377 4.6765 4.6765 5.4343 5.4343 5.6373 5.6373 5.8462 5.8462 6.0148 6.0148 6.1495 6.1495 6.7819 6.7819 7.4074 7.4074 7.8299 7.8299 7.8396 7.8396 8.2677 8.2677 8.5840 8.5840 11.7658 11.7658 11.7862 11.7862 14.1052 14.1052 14.8779 14.8779 16.4562 16.4562 k = 0.3333 0.5774 0.2803 ( 2463 PWs) bands (ev): -2.4294 -2.4294 -2.3896 -2.3896 3.9696 3.9696 4.4506 4.4506 4.6858 4.6858 5.4285 5.4285 5.6572 5.6572 5.7375 5.7375 5.9950 5.9950 6.1483 6.1483 6.7501 6.7501 7.3741 7.3741 7.8100 7.8100 7.8582 7.8582 8.2490 8.2490 8.5574 8.5574 11.8656 11.8656 11.8729 11.8729 14.1572 14.1572 14.8554 14.8554 16.3420 16.3420 k = 0.3333 0.5774 0.2930 ( 2463 PWs) bands (ev): -2.4287 -2.4287 -2.3889 -2.3889 4.0634 4.0634 4.4627 4.4627 4.6943 4.6943 5.4235 5.4235 5.6098 5.6098 5.6927 5.6927 5.9782 5.9782 6.1468 6.1468 6.7215 6.7215 7.3425 7.3425 7.7920 7.7920 7.8762 7.8762 8.2328 8.2328 8.5328 8.5328 11.9529 11.9529 11.9590 11.9590 14.2088 14.2088 14.8313 14.8313 16.2353 16.2353 k = 0.3333 0.5774 0.3058 ( 2463 PWs) bands (ev): -2.4280 -2.4280 -2.3883 -2.3883 4.1599 4.1599 4.4740 4.4740 4.7018 4.7018 5.4194 5.4194 5.4970 5.4970 5.7112 5.7112 5.9628 5.9628 6.1450 6.1450 6.6963 6.6963 7.3134 7.3134 7.7761 7.7761 7.8933 7.8933 8.2189 8.2189 8.5101 8.5101 12.0252 12.0252 12.0445 12.0445 14.2594 14.2594 14.8056 14.8056 16.1378 16.1378 k = 0.3333 0.5774 0.3185 ( 2439 PWs) bands (ev): -2.4275 -2.4275 -2.3878 -2.3878 4.2585 4.2585 4.4846 4.4846 4.7083 4.7083 5.3810 5.3810 5.4160 5.4160 5.7315 5.7315 5.9485 5.9485 6.1432 6.1432 6.6748 6.6748 7.2875 7.2875 7.7624 7.7624 7.9090 7.9090 8.2074 8.2074 8.4900 8.4900 12.0887 12.0887 12.1207 12.1207 14.3084 14.3084 14.7786 14.7786 16.0510 16.0510 k = 0.3333 0.5774 0.3312 ( 2439 PWs) bands (ev): -2.4271 -2.4271 -2.3873 -2.3873 4.3575 4.3575 4.4959 4.4959 4.7137 4.7137 5.2648 5.2648 5.4134 5.4134 5.7505 5.7505 5.9352 5.9352 6.1414 6.1414 6.6571 6.6571 7.2652 7.2652 7.7511 7.7511 7.9227 7.9227 8.1980 8.1980 8.4726 8.4726 12.1424 12.1424 12.1859 12.1859 14.3550 14.3550 14.7507 14.7507 15.9768 15.9768 k = 0.3333 0.5774 0.3440 ( 2436 PWs) bands (ev): -2.4267 -2.4267 -2.3870 -2.3870 4.4468 4.4468 4.5176 4.5176 4.7179 4.7179 5.1492 5.1492 5.4115 5.4115 5.7674 5.7674 5.9232 5.9232 6.1399 6.1399 6.6432 6.6432 7.2473 7.2473 7.7422 7.7422 7.9341 7.9341 8.1908 8.1908 8.4584 8.4584 12.1853 12.1853 12.2386 12.2386 14.3978 14.3978 14.7228 14.7228 15.9169 15.9169 k = 0.3333 0.5774 0.3567 ( 2445 PWs) bands (ev): -2.4265 -2.4265 -2.3867 -2.3867 4.4851 4.4851 4.5902 4.5902 4.7210 4.7210 5.0350 5.0350 5.4101 5.4101 5.7813 5.7813 5.9131 5.9131 6.1387 6.1387 6.6333 6.6333 7.2341 7.2341 7.7358 7.7358 7.9427 7.9427 8.1856 8.1856 8.4479 8.4479 12.2166 12.2166 12.2774 12.2774 14.4345 14.4345 14.6970 14.6970 15.8727 15.8727 k = 0.3333 0.5774 0.3694 ( 2442 PWs) bands (ev): -2.4263 -2.4263 -2.3866 -2.3866 4.4936 4.4936 4.6908 4.6908 4.7229 4.7229 4.9238 4.9238 5.4094 5.4094 5.7906 5.7906 5.9061 5.9061 6.1380 6.1380 6.6273 6.6273 7.2260 7.2260 7.7319 7.7319 7.9480 7.9480 8.1825 8.1825 8.4414 8.4414 12.2357 12.2357 12.3012 12.3012 14.4611 14.4611 14.6770 14.6770 15.8457 15.8457 k = 0.3333 0.5774 0.3822 ( 2442 PWs) bands (ev): -2.4262 -2.4262 -2.3865 -2.3865 4.4957 4.4957 4.7235 4.7235 4.7700 4.7700 4.8420 4.8420 5.4091 5.4091 5.7940 5.7940 5.9035 5.9035 6.1377 6.1377 6.6253 6.6253 7.2233 7.2233 7.7306 7.7306 7.9498 7.9498 8.1815 8.1815 8.4392 8.4392 12.2421 12.2421 12.3093 12.3093 14.4713 14.4713 14.6691 14.6691 15.8366 15.8366 Writing output data file AuSe.save init_run : 0.19s CPU 0.34s WALL ( 1 calls) electrons : 119.09s CPU 121.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 119.09s CPU 121.62s 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 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 343 calls) cegterg : 110.54s CPU 112.61s WALL ( 545 calls) Called by sum_band: Called by *egterg: h_psi : 59.77s CPU 61.24s WALL ( 9153 calls) s_psi : 4.26s CPU 4.27s WALL ( 9153 calls) g_psi : 0.16s CPU 0.16s WALL ( 8265 calls) cdiaghg : 42.87s CPU 43.69s WALL ( 8608 calls) cegterg:over : 3.82s CPU 3.73s WALL ( 8265 calls) cegterg:upda : 2.55s CPU 2.55s WALL ( 8265 calls) cegterg:last : 1.74s CPU 1.69s WALL ( 1574 calls) cdiaghg:chol : 2.20s CPU 2.28s WALL ( 8608 calls) cdiaghg:inve : 1.27s CPU 1.32s WALL ( 8608 calls) cdiaghg:para : 2.52s CPU 2.48s WALL ( 17216 calls) Called by h_psi: h_psi:vloc : 53.45s CPU 54.71s WALL ( 9153 calls) h_psi:vnl : 6.13s CPU 6.41s WALL ( 9153 calls) add_vuspsi : 3.22s CPU 3.37s WALL ( 9153 calls) General routines calbec : 2.90s CPU 3.02s WALL ( 9153 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.69s CPU 50.64s WALL ( 816084 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.12s WALL ( 686 calls) Parallel routines fft_scatter : 18.78s CPU 19.40s WALL ( 816107 calls) PWSCF : 2m10.12s CPU 2m22.01s WALL This run was terminated on: 13:37:43 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=