Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:29:43 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: ./CsAu.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 60 45 13 2132 1390 215 Max 61 46 14 2137 1402 218 Sum 2185 1649 481 76813 50301 7809 bravais-lattice index = 14 lattice parameter (alat) = 8.0465 a.u. unit-cell volume = 520.9709 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.046453 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 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 PseudoPot. # 2 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Au 11.00 196.96660 Au( 1.00) Cs 9.00 132.90550 Cs( 1.00) 48 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 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 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0034843 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0034843 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0034843 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0034843 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0034843 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0034843 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0034843 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0034843 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0034843 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0034843 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0034843 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0034843 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0034843 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0034843 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0034843 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0034843 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0034843 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0034843 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0034843 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0034843 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0034843 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0034843 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0034843 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0034843 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0034843 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0034843 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0034843 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0034843 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0034843 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0034843 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0034843 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0034843 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0034843 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0034843 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0034843 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0034843 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0034843 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0034843 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0034843 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0034843 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0034843 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0034843 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0034843 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0034843 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0034843 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0034843 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0034843 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0034843 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0034843 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0034843 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0034843 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0034843 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0034843 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0034843 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0034843 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0034843 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0034843 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0034843 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0034843 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0034843 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0034843 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0034843 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0034843 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0034843 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0034843 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0034843 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0034843 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 78) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0034843 k( 79) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0034843 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0034843 k( 81) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0034843 k( 82) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0034843 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0034843 k( 84) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0034843 k( 85) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0034843 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0034843 k( 87) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0034843 k( 88) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0034843 k( 89) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0034843 k( 90) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0034843 k( 91) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0034843 k( 92) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0034843 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0034843 k( 94) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0034843 k( 95) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0034843 k( 96) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0034843 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0034843 k( 98) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0034843 k( 99) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0034843 k( 100) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0034843 k( 101) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0034843 k( 102) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0034843 k( 103) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0034843 k( 104) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0034843 k( 105) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0034843 k( 106) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0034843 k( 107) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0034843 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0034843 k( 109) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0034843 k( 110) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0034843 k( 111) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0034843 k( 112) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0034843 k( 113) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0034843 k( 114) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0034843 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0034843 k( 116) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0034843 k( 117) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0034843 k( 118) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0034843 k( 119) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0034843 k( 120) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0034843 k( 121) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0034843 k( 122) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0034843 k( 123) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0034843 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0034843 k( 125) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0034843 k( 126) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0034843 k( 127) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0034843 k( 128) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0034843 k( 129) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 132) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0034843 k( 133) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0034843 k( 134) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0034843 k( 135) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0034843 k( 136) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0034843 k( 137) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0034843 k( 138) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0034843 k( 139) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0034843 k( 140) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0034843 k( 141) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0034843 k( 142) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0034843 k( 143) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0034843 k( 144) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0034843 k( 145) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0034843 k( 146) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0034843 k( 147) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034843 k( 148) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0034843 k( 149) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0034843 k( 150) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0034843 k( 151) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0034843 k( 152) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0034843 k( 153) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0034843 k( 154) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0034843 k( 155) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0034843 k( 156) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0034843 k( 157) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0034843 k( 158) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0034843 k( 159) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0034843 k( 160) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0034843 k( 161) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0034843 k( 162) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0034843 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 164) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0034843 k( 165) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0034843 k( 166) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0034843 k( 167) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0034843 k( 168) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0034843 k( 169) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0034843 k( 170) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0034843 k( 171) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0034843 k( 172) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0034843 k( 173) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0034843 k( 174) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0034843 k( 175) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0034843 k( 176) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0034843 k( 177) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0034843 k( 178) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0034843 k( 179) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034843 k( 180) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0034843 k( 181) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0034843 k( 182) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0034843 k( 183) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0034843 k( 184) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0034843 k( 185) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0034843 k( 186) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0034843 k( 187) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0034843 k( 188) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0034843 k( 189) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0034843 k( 190) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0034843 k( 191) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0034843 k( 192) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0034843 k( 193) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0034843 k( 194) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0034843 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 197) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034843 k( 198) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034843 k( 199) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034843 k( 200) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034843 k( 201) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034843 k( 202) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034843 k( 203) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034843 k( 204) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034843 k( 205) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034843 k( 206) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034843 k( 207) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034843 k( 208) = ( 0.3867925 0.5000000 0.3867924), wk = 0.0034843 k( 209) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034843 k( 210) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034843 k( 211) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034843 k( 212) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034843 k( 213) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034843 k( 214) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034843 k( 215) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034843 k( 216) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034843 k( 217) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034843 k( 218) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034843 k( 219) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034843 k( 220) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034843 k( 221) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034843 k( 222) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034843 k( 223) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034843 k( 224) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034843 k( 225) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034843 k( 226) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034843 k( 227) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034843 k( 228) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034843 k( 229) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034843 k( 230) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034843 k( 231) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034843 k( 232) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034843 k( 233) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034843 k( 234) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034843 k( 235) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034843 k( 236) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034843 k( 237) = ( 0.1132076 0.5000000 0.1132075), wk = 0.0034843 k( 238) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034843 k( 239) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034843 k( 240) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034843 k( 241) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034843 k( 242) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034843 k( 243) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034843 k( 244) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034843 k( 245) = ( 0.0377359 0.5000000 0.0377358), wk = 0.0034843 k( 246) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034843 k( 247) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034843 k( 248) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034843 k( 249) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 250) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 251) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0034843 k( 252) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0034843 k( 253) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0034843 k( 254) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0034843 k( 255) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0034843 k( 256) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0034843 k( 257) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0034843 k( 258) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0034843 k( 259) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0034843 k( 260) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0034843 k( 261) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0034843 k( 262) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0034843 k( 263) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0034843 k( 264) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0034843 k( 265) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0034843 k( 266) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0034843 k( 267) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0034843 k( 269) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0034843 k( 270) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0034843 k( 271) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0034843 k( 272) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0034843 k( 273) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0034843 k( 274) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0034843 k( 275) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0034843 k( 276) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0034843 k( 277) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0034843 k( 278) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0034843 k( 279) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0034843 k( 280) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0034843 k( 281) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0034843 k( 282) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0034843 k( 283) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0034843 k( 284) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0034843 k( 285) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0034843 k( 286) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0034843 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0034843 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0034843 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0034843 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0034843 k( 6) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0034843 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0034843 k( 8) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0034843 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0034843 k( 10) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0034843 k( 11) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0034843 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0034843 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0034843 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0034843 k( 15) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0034843 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0034843 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0034843 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0034843 k( 19) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0034843 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0034843 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0034843 k( 22) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0034843 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0034843 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0034843 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0034843 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0034843 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0034843 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0034843 k( 29) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0034843 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0034843 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0034843 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0034843 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0034843 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0034843 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0034843 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0034843 k( 37) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0034843 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034843 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034843 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0034843 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0034843 k( 42) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0034843 k( 43) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0034843 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0034843 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0034843 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0034843 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0034843 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0034843 k( 49) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0034843 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0034843 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0034843 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0034843 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0034843 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0034843 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0034843 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0034843 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0034843 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0034843 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0034843 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0034843 k( 61) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0034843 k( 62) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0034843 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0034843 k( 64) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0034843 k( 65) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0034843 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0034843 k( 67) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0034843 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0034843 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0034843 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0034843 k( 71) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0034843 k( 72) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0034843 k( 73) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0034843 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0034843 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0034843 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 78) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0034843 k( 79) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0034843 k( 80) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0034843 k( 81) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0034843 k( 82) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0034843 k( 83) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0034843 k( 84) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0034843 k( 85) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0034843 k( 86) = ( 0.4150943 0.4150943 0.0000000), wk = 0.0034843 k( 87) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0034843 k( 88) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0034843 k( 89) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0034843 k( 90) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0034843 k( 91) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0034843 k( 92) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0034843 k( 93) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0034843 k( 94) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0034843 k( 95) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0034843 k( 96) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0034843 k( 97) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0034843 k( 98) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0034843 k( 99) = ( 0.2924528 0.2924528 0.0000000), wk = 0.0034843 k( 100) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0034843 k( 101) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0034843 k( 102) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0034843 k( 103) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0034843 k( 104) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0034843 k( 105) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0034843 k( 106) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0034843 k( 107) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0034843 k( 108) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0034843 k( 109) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0034843 k( 110) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0034843 k( 111) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0034843 k( 112) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0034843 k( 113) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0034843 k( 114) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0034843 k( 115) = ( 0.1415094 0.1415094 0.0000000), wk = 0.0034843 k( 116) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0034843 k( 117) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0034843 k( 118) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0034843 k( 119) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0034843 k( 120) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0034843 k( 121) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0034843 k( 122) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0034843 k( 123) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0034843 k( 124) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0034843 k( 125) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0034843 k( 126) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0034843 k( 127) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0034843 k( 128) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0034843 k( 129) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 132) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0034843 k( 133) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0034843 k( 134) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0034843 k( 135) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0034843 k( 136) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0034843 k( 137) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0034843 k( 138) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0034843 k( 139) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0034843 k( 140) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0034843 k( 141) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0034843 k( 142) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0034843 k( 143) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0034843 k( 144) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0034843 k( 145) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0034843 k( 146) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0034843 k( 147) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034843 k( 148) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0034843 k( 149) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0034843 k( 150) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0034843 k( 151) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0034843 k( 152) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0034843 k( 153) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0034843 k( 154) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0034843 k( 155) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0034843 k( 156) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0034843 k( 157) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0034843 k( 158) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0034843 k( 159) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0034843 k( 160) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0034843 k( 161) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0034843 k( 162) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0034843 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 164) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0034843 k( 165) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0034843 k( 166) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0034843 k( 167) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0034843 k( 168) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0034843 k( 169) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0034843 k( 170) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0034843 k( 171) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0034843 k( 172) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0034843 k( 173) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0034843 k( 174) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0034843 k( 175) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0034843 k( 176) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0034843 k( 177) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0034843 k( 178) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0034843 k( 179) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034843 k( 180) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0034843 k( 181) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0034843 k( 182) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0034843 k( 183) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0034843 k( 184) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0034843 k( 185) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0034843 k( 186) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0034843 k( 187) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0034843 k( 188) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0034843 k( 189) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0034843 k( 190) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0034843 k( 191) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0034843 k( 192) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0034843 k( 193) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0034843 k( 194) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0034843 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 197) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034843 k( 198) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034843 k( 199) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034843 k( 200) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034843 k( 201) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034843 k( 202) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034843 k( 203) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034843 k( 204) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034843 k( 205) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034843 k( 206) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034843 k( 207) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034843 k( 208) = ( 0.3867925 0.5000000 0.3867925), wk = 0.0034843 k( 209) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034843 k( 210) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034843 k( 211) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034843 k( 212) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034843 k( 213) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034843 k( 214) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034843 k( 215) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034843 k( 216) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034843 k( 217) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034843 k( 218) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034843 k( 219) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034843 k( 220) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034843 k( 221) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034843 k( 222) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034843 k( 223) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034843 k( 224) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034843 k( 225) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034843 k( 226) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034843 k( 227) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034843 k( 228) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034843 k( 229) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034843 k( 230) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034843 k( 231) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034843 k( 232) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034843 k( 233) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034843 k( 234) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034843 k( 235) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034843 k( 236) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034843 k( 237) = ( 0.1132076 0.5000000 0.1132076), wk = 0.0034843 k( 238) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034843 k( 239) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034843 k( 240) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034843 k( 241) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034843 k( 242) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034843 k( 243) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034843 k( 244) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034843 k( 245) = ( 0.0377359 0.5000000 0.0377359), wk = 0.0034843 k( 246) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034843 k( 247) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034843 k( 248) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034843 k( 249) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034843 k( 250) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 251) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0034843 k( 252) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0034843 k( 253) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0034843 k( 254) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0034843 k( 255) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0034843 k( 256) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0034843 k( 257) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0034843 k( 258) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0034843 k( 259) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0034843 k( 260) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0034843 k( 261) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0034843 k( 262) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0034843 k( 263) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0034843 k( 264) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0034843 k( 265) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0034843 k( 266) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0034843 k( 267) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0034843 k( 269) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0034843 k( 270) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0034843 k( 271) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0034843 k( 272) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0034843 k( 273) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0034843 k( 274) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0034843 k( 275) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0034843 k( 276) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0034843 k( 277) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0034843 k( 278) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0034843 k( 279) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0034843 k( 280) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0034843 k( 281) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0034843 k( 282) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0034843 k( 283) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0034843 k( 284) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0034843 k( 285) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0034843 k( 286) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0034843 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 Dense grid: 76813 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 50301 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 352, 28) NL pseudopotentials 0.26 Mb ( 176, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2132) G-vector shells 0.00 Mb ( 452) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 352, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.08 Mb ( 96, 2, 28) The potential is recalculated from file : ./CsAu.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.7 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.8 secs Computing kpt #: 14 total cpu time spent up to now is 7.2 secs Computing kpt #: 15 total cpu time spent up to now is 7.6 secs Computing kpt #: 16 total cpu time spent up to now is 7.9 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.6 secs Computing kpt #: 19 total cpu time spent up to now is 8.9 secs Computing kpt #: 20 total cpu time spent up to now is 9.2 secs Computing kpt #: 21 total cpu time spent up to now is 9.5 secs Computing kpt #: 22 total cpu time spent up to now is 9.8 secs Computing kpt #: 23 total cpu time spent up to now is 10.0 secs Computing kpt #: 24 total cpu time spent up to now is 10.3 secs Computing kpt #: 25 total cpu time spent up to now is 10.6 secs Computing kpt #: 26 total cpu time spent up to now is 10.9 secs Computing kpt #: 27 total cpu time spent up to now is 11.2 secs Computing kpt #: 28 total cpu time spent up to now is 11.5 secs Computing kpt #: 29 total cpu time spent up to now is 11.8 secs Computing kpt #: 30 total cpu time spent up to now is 12.1 secs Computing kpt #: 31 total cpu time spent up to now is 12.4 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 13.0 secs Computing kpt #: 34 total cpu time spent up to now is 13.3 secs Computing kpt #: 35 total cpu time spent up to now is 13.6 secs Computing kpt #: 36 total cpu time spent up to now is 13.9 secs Computing kpt #: 37 total cpu time spent up to now is 14.2 secs Computing kpt #: 38 total cpu time spent up to now is 14.5 secs Computing kpt #: 39 total cpu time spent up to now is 14.8 secs Computing kpt #: 40 total cpu time spent up to now is 15.1 secs Computing kpt #: 41 total cpu time spent up to now is 15.4 secs Computing kpt #: 42 total cpu time spent up to now is 15.7 secs Computing kpt #: 43 total cpu time spent up to now is 16.0 secs Computing kpt #: 44 total cpu time spent up to now is 16.3 secs Computing kpt #: 45 total cpu time spent up to now is 16.6 secs Computing kpt #: 46 total cpu time spent up to now is 16.9 secs Computing kpt #: 47 total cpu time spent up to now is 17.2 secs Computing kpt #: 48 total cpu time spent up to now is 17.5 secs Computing kpt #: 49 total cpu time spent up to now is 17.8 secs Computing kpt #: 50 total cpu time spent up to now is 18.1 secs Computing kpt #: 51 total cpu time spent up to now is 18.4 secs Computing kpt #: 52 total cpu time spent up to now is 18.7 secs Computing kpt #: 53 total cpu time spent up to now is 19.0 secs Computing kpt #: 54 total cpu time spent up to now is 19.3 secs Computing kpt #: 55 total cpu time spent up to now is 19.6 secs Computing kpt #: 56 total cpu time spent up to now is 19.9 secs Computing kpt #: 57 total cpu time spent up to now is 20.2 secs Computing kpt #: 58 total cpu time spent up to now is 20.5 secs Computing kpt #: 59 total cpu time spent up to now is 20.8 secs Computing kpt #: 60 total cpu time spent up to now is 21.1 secs Computing kpt #: 61 total cpu time spent up to now is 21.4 secs Computing kpt #: 62 total cpu time spent up to now is 21.6 secs Computing kpt #: 63 total cpu time spent up to now is 21.9 secs Computing kpt #: 64 total cpu time spent up to now is 22.2 secs Computing kpt #: 65 total cpu time spent up to now is 22.5 secs Computing kpt #: 66 total cpu time spent up to now is 22.9 secs Computing kpt #: 67 total cpu time spent up to now is 23.2 secs Computing kpt #: 68 total cpu time spent up to now is 23.6 secs Computing kpt #: 69 total cpu time spent up to now is 23.9 secs Computing kpt #: 70 total cpu time spent up to now is 24.3 secs Computing kpt #: 71 total cpu time spent up to now is 24.7 secs Computing kpt #: 72 total cpu time spent up to now is 25.1 secs Computing kpt #: 73 total cpu time spent up to now is 25.5 secs Computing kpt #: 74 total cpu time spent up to now is 25.9 secs Computing kpt #: 75 total cpu time spent up to now is 26.4 secs Computing kpt #: 76 total cpu time spent up to now is 26.9 secs Computing kpt #: 77 total cpu time spent up to now is 27.4 secs Computing kpt #: 78 total cpu time spent up to now is 27.9 secs Computing kpt #: 79 total cpu time spent up to now is 28.4 secs Computing kpt #: 80 total cpu time spent up to now is 28.9 secs Computing kpt #: 81 total cpu time spent up to now is 29.3 secs Computing kpt #: 82 total cpu time spent up to now is 29.7 secs Computing kpt #: 83 total cpu time spent up to now is 30.0 secs Computing kpt #: 84 total cpu time spent up to now is 30.4 secs Computing kpt #: 85 total cpu time spent up to now is 30.8 secs Computing kpt #: 86 total cpu time spent up to now is 31.1 secs Computing kpt #: 87 total cpu time spent up to now is 31.4 secs Computing kpt #: 88 total cpu time spent up to now is 31.8 secs Computing kpt #: 89 total cpu time spent up to now is 32.1 secs Computing kpt #: 90 total cpu time spent up to now is 32.4 secs Computing kpt #: 91 total cpu time spent up to now is 32.7 secs Computing kpt #: 92 total cpu time spent up to now is 33.0 secs Computing kpt #: 93 total cpu time spent up to now is 33.3 secs Computing kpt #: 94 total cpu time spent up to now is 33.6 secs Computing kpt #: 95 total cpu time spent up to now is 33.9 secs Computing kpt #: 96 total cpu time spent up to now is 34.2 secs Computing kpt #: 97 total cpu time spent up to now is 34.5 secs Computing kpt #: 98 total cpu time spent up to now is 34.8 secs Computing kpt #: 99 total cpu time spent up to now is 35.0 secs Computing kpt #: 100 total cpu time spent up to now is 35.3 secs Computing kpt #: 101 total cpu time spent up to now is 35.6 secs Computing kpt #: 102 total cpu time spent up to now is 35.9 secs Computing kpt #: 103 total cpu time spent up to now is 36.2 secs Computing kpt #: 104 total cpu time spent up to now is 36.5 secs Computing kpt #: 105 total cpu time spent up to now is 36.8 secs Computing kpt #: 106 total cpu time spent up to now is 37.1 secs Computing kpt #: 107 total cpu time spent up to now is 37.4 secs Computing kpt #: 108 total cpu time spent up to now is 37.7 secs Computing kpt #: 109 total cpu time spent up to now is 38.0 secs Computing kpt #: 110 total cpu time spent up to now is 38.3 secs Computing kpt #: 111 total cpu time spent up to now is 38.6 secs Computing kpt #: 112 total cpu time spent up to now is 38.9 secs Computing kpt #: 113 total cpu time spent up to now is 39.2 secs Computing kpt #: 114 total cpu time spent up to now is 39.4 secs Computing kpt #: 115 total cpu time spent up to now is 39.7 secs Computing kpt #: 116 total cpu time spent up to now is 40.0 secs Computing kpt #: 117 total cpu time spent up to now is 40.3 secs Computing kpt #: 118 total cpu time spent up to now is 40.6 secs Computing kpt #: 119 total cpu time spent up to now is 40.9 secs Computing kpt #: 120 total cpu time spent up to now is 41.3 secs Computing kpt #: 121 total cpu time spent up to now is 41.6 secs Computing kpt #: 122 total cpu time spent up to now is 41.9 secs Computing kpt #: 123 total cpu time spent up to now is 42.3 secs Computing kpt #: 124 total cpu time spent up to now is 42.6 secs Computing kpt #: 125 total cpu time spent up to now is 43.0 secs Computing kpt #: 126 total cpu time spent up to now is 43.4 secs Computing kpt #: 127 total cpu time spent up to now is 43.8 secs Computing kpt #: 128 total cpu time spent up to now is 44.2 secs Computing kpt #: 129 total cpu time spent up to now is 44.7 secs Computing kpt #: 130 total cpu time spent up to now is 45.0 secs Computing kpt #: 131 total cpu time spent up to now is 45.2 secs Computing kpt #: 132 total cpu time spent up to now is 45.7 secs Computing kpt #: 133 total cpu time spent up to now is 46.1 secs Computing kpt #: 134 total cpu time spent up to now is 46.5 secs Computing kpt #: 135 total cpu time spent up to now is 46.9 secs Computing kpt #: 136 total cpu time spent up to now is 47.3 secs Computing kpt #: 137 total cpu time spent up to now is 47.6 secs Computing kpt #: 138 total cpu time spent up to now is 48.0 secs Computing kpt #: 139 total cpu time spent up to now is 48.3 secs Computing kpt #: 140 total cpu time spent up to now is 48.7 secs Computing kpt #: 141 total cpu time spent up to now is 49.1 secs Computing kpt #: 142 total cpu time spent up to now is 49.4 secs Computing kpt #: 143 total cpu time spent up to now is 49.8 secs Computing kpt #: 144 total cpu time spent up to now is 50.1 secs Computing kpt #: 145 total cpu time spent up to now is 50.5 secs Computing kpt #: 146 total cpu time spent up to now is 50.8 secs Computing kpt #: 147 total cpu time spent up to now is 51.2 secs Computing kpt #: 148 total cpu time spent up to now is 51.6 secs Computing kpt #: 149 total cpu time spent up to now is 51.9 secs Computing kpt #: 150 total cpu time spent up to now is 52.3 secs Computing kpt #: 151 total cpu time spent up to now is 52.7 secs Computing kpt #: 152 total cpu time spent up to now is 53.1 secs Computing kpt #: 153 total cpu time spent up to now is 53.5 secs Computing kpt #: 154 total cpu time spent up to now is 54.0 secs Computing kpt #: 155 total cpu time spent up to now is 54.4 secs Computing kpt #: 156 total cpu time spent up to now is 54.8 secs Computing kpt #: 157 total cpu time spent up to now is 55.2 secs Computing kpt #: 158 total cpu time spent up to now is 55.6 secs Computing kpt #: 159 total cpu time spent up to now is 56.0 secs Computing kpt #: 160 total cpu time spent up to now is 56.4 secs Computing kpt #: 161 total cpu time spent up to now is 56.8 secs Computing kpt #: 162 total cpu time spent up to now is 57.2 secs Computing kpt #: 163 total cpu time spent up to now is 57.6 secs Computing kpt #: 164 total cpu time spent up to now is 58.1 secs Computing kpt #: 165 total cpu time spent up to now is 58.5 secs Computing kpt #: 166 total cpu time spent up to now is 59.1 secs Computing kpt #: 167 total cpu time spent up to now is 59.5 secs Computing kpt #: 168 total cpu time spent up to now is 60.0 secs Computing kpt #: 169 total cpu time spent up to now is 60.5 secs Computing kpt #: 170 total cpu time spent up to now is 61.0 secs Computing kpt #: 171 total cpu time spent up to now is 61.5 secs Computing kpt #: 172 total cpu time spent up to now is 61.9 secs Computing kpt #: 173 total cpu time spent up to now is 62.4 secs Computing kpt #: 174 total cpu time spent up to now is 62.9 secs Computing kpt #: 175 total cpu time spent up to now is 63.3 secs Computing kpt #: 176 total cpu time spent up to now is 63.7 secs Computing kpt #: 177 total cpu time spent up to now is 64.1 secs Computing kpt #: 178 total cpu time spent up to now is 64.5 secs Computing kpt #: 179 total cpu time spent up to now is 65.0 secs Computing kpt #: 180 total cpu time spent up to now is 65.4 secs Computing kpt #: 181 total cpu time spent up to now is 65.8 secs Computing kpt #: 182 total cpu time spent up to now is 66.2 secs Computing kpt #: 183 total cpu time spent up to now is 66.6 secs Computing kpt #: 184 total cpu time spent up to now is 67.0 secs Computing kpt #: 185 total cpu time spent up to now is 67.5 secs Computing kpt #: 186 total cpu time spent up to now is 68.0 secs Computing kpt #: 187 total cpu time spent up to now is 68.4 secs Computing kpt #: 188 total cpu time spent up to now is 68.9 secs Computing kpt #: 189 total cpu time spent up to now is 69.3 secs Computing kpt #: 190 total cpu time spent up to now is 69.8 secs Computing kpt #: 191 total cpu time spent up to now is 70.2 secs Computing kpt #: 192 total cpu time spent up to now is 70.6 secs Computing kpt #: 193 total cpu time spent up to now is 71.0 secs Computing kpt #: 194 total cpu time spent up to now is 71.4 secs Computing kpt #: 195 total cpu time spent up to now is 71.8 secs Computing kpt #: 196 total cpu time spent up to now is 72.2 secs Computing kpt #: 197 total cpu time spent up to now is 72.6 secs Computing kpt #: 198 total cpu time spent up to now is 73.1 secs Computing kpt #: 199 total cpu time spent up to now is 73.5 secs Computing kpt #: 200 total cpu time spent up to now is 74.0 secs Computing kpt #: 201 total cpu time spent up to now is 74.5 secs Computing kpt #: 202 total cpu time spent up to now is 74.9 secs Computing kpt #: 203 total cpu time spent up to now is 75.4 secs Computing kpt #: 204 total cpu time spent up to now is 75.9 secs Computing kpt #: 205 total cpu time spent up to now is 76.3 secs Computing kpt #: 206 total cpu time spent up to now is 76.7 secs Computing kpt #: 207 total cpu time spent up to now is 77.2 secs Computing kpt #: 208 total cpu time spent up to now is 77.6 secs Computing kpt #: 209 total cpu time spent up to now is 78.0 secs Computing kpt #: 210 total cpu time spent up to now is 78.4 secs Computing kpt #: 211 total cpu time spent up to now is 78.8 secs Computing kpt #: 212 total cpu time spent up to now is 79.2 secs Computing kpt #: 213 total cpu time spent up to now is 79.6 secs Computing kpt #: 214 total cpu time spent up to now is 80.0 secs Computing kpt #: 215 total cpu time spent up to now is 80.4 secs Computing kpt #: 216 total cpu time spent up to now is 80.8 secs Computing kpt #: 217 total cpu time spent up to now is 81.2 secs Computing kpt #: 218 total cpu time spent up to now is 81.6 secs Computing kpt #: 219 total cpu time spent up to now is 82.0 secs Computing kpt #: 220 total cpu time spent up to now is 82.4 secs Computing kpt #: 221 total cpu time spent up to now is 82.8 secs Computing kpt #: 222 total cpu time spent up to now is 83.1 secs Computing kpt #: 223 total cpu time spent up to now is 83.5 secs Computing kpt #: 224 total cpu time spent up to now is 83.9 secs Computing kpt #: 225 total cpu time spent up to now is 84.3 secs Computing kpt #: 226 total cpu time spent up to now is 84.7 secs Computing kpt #: 227 total cpu time spent up to now is 85.0 secs Computing kpt #: 228 total cpu time spent up to now is 85.4 secs Computing kpt #: 229 total cpu time spent up to now is 85.8 secs Computing kpt #: 230 total cpu time spent up to now is 86.1 secs Computing kpt #: 231 total cpu time spent up to now is 86.5 secs Computing kpt #: 232 total cpu time spent up to now is 86.8 secs Computing kpt #: 233 total cpu time spent up to now is 87.1 secs Computing kpt #: 234 total cpu time spent up to now is 87.5 secs Computing kpt #: 235 total cpu time spent up to now is 87.8 secs Computing kpt #: 236 total cpu time spent up to now is 88.1 secs Computing kpt #: 237 total cpu time spent up to now is 88.4 secs Computing kpt #: 238 total cpu time spent up to now is 88.7 secs Computing kpt #: 239 total cpu time spent up to now is 89.0 secs Computing kpt #: 240 total cpu time spent up to now is 89.3 secs Computing kpt #: 241 total cpu time spent up to now is 89.6 secs Computing kpt #: 242 total cpu time spent up to now is 89.9 secs Computing kpt #: 243 total cpu time spent up to now is 90.2 secs Computing kpt #: 244 total cpu time spent up to now is 90.5 secs Computing kpt #: 245 total cpu time spent up to now is 90.8 secs Computing kpt #: 246 total cpu time spent up to now is 91.1 secs Computing kpt #: 247 total cpu time spent up to now is 91.4 secs Computing kpt #: 248 total cpu time spent up to now is 91.7 secs Computing kpt #: 249 total cpu time spent up to now is 92.0 secs Computing kpt #: 250 total cpu time spent up to now is 92.5 secs Computing kpt #: 251 total cpu time spent up to now is 93.0 secs Computing kpt #: 252 total cpu time spent up to now is 93.5 secs Computing kpt #: 253 total cpu time spent up to now is 94.0 secs Computing kpt #: 254 total cpu time spent up to now is 94.5 secs Computing kpt #: 255 total cpu time spent up to now is 94.9 secs Computing kpt #: 256 total cpu time spent up to now is 95.2 secs Computing kpt #: 257 total cpu time spent up to now is 95.5 secs Computing kpt #: 258 total cpu time spent up to now is 95.8 secs Computing kpt #: 259 total cpu time spent up to now is 96.1 secs Computing kpt #: 260 total cpu time spent up to now is 96.4 secs Computing kpt #: 261 total cpu time spent up to now is 96.7 secs Computing kpt #: 262 total cpu time spent up to now is 96.9 secs Computing kpt #: 263 total cpu time spent up to now is 97.2 secs Computing kpt #: 264 total cpu time spent up to now is 97.5 secs Computing kpt #: 265 total cpu time spent up to now is 97.8 secs Computing kpt #: 266 total cpu time spent up to now is 98.0 secs Computing kpt #: 267 total cpu time spent up to now is 98.3 secs Computing kpt #: 268 total cpu time spent up to now is 98.6 secs Computing kpt #: 269 total cpu time spent up to now is 98.9 secs Computing kpt #: 270 total cpu time spent up to now is 99.2 secs Computing kpt #: 271 total cpu time spent up to now is 99.5 secs Computing kpt #: 272 total cpu time spent up to now is 99.7 secs Computing kpt #: 273 total cpu time spent up to now is 100.0 secs Computing kpt #: 274 total cpu time spent up to now is 100.3 secs Computing kpt #: 275 total cpu time spent up to now is 100.6 secs Computing kpt #: 276 total cpu time spent up to now is 100.9 secs Computing kpt #: 277 total cpu time spent up to now is 101.2 secs Computing kpt #: 278 total cpu time spent up to now is 101.6 secs Computing kpt #: 279 total cpu time spent up to now is 101.9 secs Computing kpt #: 280 total cpu time spent up to now is 102.3 secs Computing kpt #: 281 total cpu time spent up to now is 102.6 secs Computing kpt #: 282 total cpu time spent up to now is 103.0 secs Computing kpt #: 283 total cpu time spent up to now is 103.4 secs Computing kpt #: 284 total cpu time spent up to now is 103.8 secs Computing kpt #: 285 total cpu time spent up to now is 104.2 secs Computing kpt #: 286 total cpu time spent up to now is 104.6 secs Computing kpt #: 287 total cpu time spent up to now is 105.0 secs ethr = 5.00E-08, avg # of iterations = 28.5 total cpu time spent up to now is 105.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -13.9279 -13.9279 -2.4129 -2.4129 -0.9061 -0.9061 -0.9061 -0.9061 3.0758 3.0758 3.0758 3.0758 3.3474 3.3474 4.4842 4.4842 4.4842 4.4842 4.7551 4.7551 10.1834 10.1834 10.1834 10.1834 11.8741 11.8741 13.2299 13.2299 k = 0.0000 0.0135-0.0000 ( 6335 PWs) bands (ev): -13.9278 -13.9278 -2.4134 -2.4134 -0.9077 -0.9077 -0.9060 -0.9060 3.0759 3.0759 3.0763 3.0763 3.3503 3.3503 4.4844 4.4844 4.4847 4.4847 4.7552 4.7552 10.1833 10.1833 10.1836 10.1836 11.8691 11.8691 13.2162 13.2166 k = 0.0000 0.0270-0.0000 ( 6319 PWs) bands (ev): -13.9274 -13.9274 -2.4148 -2.4148 -0.9124 -0.9124 -0.9057 -0.9057 3.0762 3.0762 3.0776 3.0776 3.3588 3.3588 4.4849 4.4849 4.4860 4.4860 4.7554 4.7554 10.1831 10.1831 10.1841 10.1841 11.8545 11.8545 13.1750 13.1750 k = 0.0000 0.0405-0.0000 ( 6315 PWs) bands (ev): -13.9268 -13.9268 -2.4171 -2.4171 -0.9201 -0.9201 -0.9053 -0.9053 3.0767 3.0767 3.0799 3.0799 3.3730 3.3730 4.4856 4.4856 4.4882 4.4882 4.7557 4.7557 10.1829 10.1829 10.1844 10.1844 11.8312 11.8312 13.1119 13.1207 k = 0.0000 0.0541-0.0000 ( 6323 PWs) bands (ev): -13.9259 -13.9259 -2.4203 -2.4203 -0.9308 -0.9308 -0.9046 -0.9046 3.0774 3.0774 3.0829 3.0829 3.3927 3.3927 4.4867 4.4867 4.4912 4.4912 4.7562 4.7562 10.1825 10.1825 10.1837 10.1837 11.8003 11.8003 13.0318 13.0318 k = 0.0000 0.0676-0.0000 ( 6315 PWs) bands (ev): -13.9249 -13.9249 -2.4245 -2.4245 -0.9441 -0.9441 -0.9038 -0.9038 3.0783 3.0783 3.0868 3.0868 3.4178 3.4178 4.4880 4.4880 4.4951 4.4951 4.7568 4.7568 10.1809 10.1809 10.1819 10.1819 11.7637 11.7637 12.9405 12.9405 k = 0.0000 0.0811-0.0000 ( 6315 PWs) bands (ev): -13.9235 -13.9235 -2.4296 -2.4296 -0.9600 -0.9600 -0.9028 -0.9028 3.0794 3.0794 3.0914 3.0914 3.4481 3.4481 4.4896 4.4896 4.4998 4.4998 4.7575 4.7575 10.1744 10.1744 10.1813 10.1813 11.7233 11.7233 12.8425 12.8425 k = 0.0000 0.0946-0.0000 ( 6311 PWs) bands (ev): -13.9220 -13.9220 -2.4357 -2.4357 -0.9780 -0.9780 -0.9017 -0.9017 3.0806 3.0806 3.0968 3.0968 3.4833 3.4833 4.4915 4.4915 4.5053 4.5053 4.7583 4.7583 10.1624 10.1624 10.1806 10.1806 11.6812 11.6812 12.7423 12.7423 k = 0.0000 0.1081-0.0000 ( 6307 PWs) bands (ev): -13.9202 -13.9202 -2.4427 -2.4427 -0.9979 -0.9979 -0.9004 -0.9004 3.0820 3.0820 3.1028 3.1028 3.5233 3.5233 4.4937 4.4937 4.5116 4.5116 4.7593 4.7593 10.1428 10.1428 10.1798 10.1798 11.6395 11.6395 12.6435 12.6435 k = 0.0000 0.1216-0.0000 ( 6299 PWs) bands (ev): -13.9183 -13.9183 -2.4507 -2.4507 -1.0194 -1.0194 -0.8989 -0.8989 3.0836 3.0836 3.1094 3.1094 3.5677 3.5677 4.4961 4.4961 4.5187 4.5187 4.7604 4.7604 10.1136 10.1136 10.1789 10.1789 11.5997 11.5997 12.5499 12.5499 k = 0.0000 0.1351-0.0000 ( 6307 PWs) bands (ev): -13.9161 -13.9161 -2.4597 -2.4597 -1.0422 -1.0422 -0.8973 -0.8973 3.0853 3.0853 3.1166 3.1166 3.6164 3.6164 4.4988 4.4988 4.5265 4.5265 4.7616 4.7616 10.0730 10.0730 10.1778 10.1778 11.5626 11.5626 12.4659 12.4662 k = 0.0000 0.1486-0.0000 ( 6299 PWs) bands (ev): -13.9138 -13.9138 -2.4696 -2.4696 -1.0659 -1.0659 -0.8956 -0.8956 3.0872 3.0872 3.1242 3.1242 3.6690 3.6690 4.5016 4.5016 4.5351 4.5351 4.7629 4.7629 10.0196 10.0196 10.1767 10.1767 11.5275 11.5275 12.3635 12.3635 k = 0.0000 0.1622-0.0000 ( 6307 PWs) bands (ev): -13.9114 -13.9114 -2.4804 -2.4804 -1.0903 -1.0903 -0.8938 -0.8938 3.0892 3.0892 3.1323 3.1323 3.7252 3.7252 4.5047 4.5047 4.5443 4.5443 4.7643 4.7643 9.9530 9.9530 10.1755 10.1755 11.4927 11.4927 12.2617 12.2617 k = 0.0000 0.1757-0.0000 ( 6307 PWs) bands (ev): -13.9088 -13.9088 -2.4922 -2.4922 -1.1150 -1.1150 -0.8919 -0.8919 3.0912 3.0912 3.1407 3.1407 3.7849 3.7849 4.5079 4.5079 4.5543 4.5543 4.7658 4.7658 9.8733 9.8733 10.1742 10.1742 11.4552 11.4552 12.1613 12.1613 k = 0.0000 0.1892-0.0000 ( 6307 PWs) bands (ev): -13.9061 -13.9061 -2.5048 -2.5048 -1.1397 -1.1397 -0.8899 -0.8899 3.0934 3.0934 3.1493 3.1493 3.8475 3.8475 4.5113 4.5113 4.5649 4.5649 4.7674 4.7674 9.7815 9.7815 10.1729 10.1729 11.4125 11.4125 12.0628 12.0628 k = 0.0000 0.2027-0.0000 ( 6299 PWs) bands (ev): -13.9033 -13.9033 -2.5183 -2.5183 -1.1642 -1.1642 -0.8878 -0.8878 3.0957 3.0957 3.1581 3.1581 3.9130 3.9130 4.5149 4.5149 4.5763 4.5763 4.7691 4.7691 9.6789 9.6789 10.1715 10.1715 11.3632 11.3632 11.9665 11.9665 k = 0.0000 0.2162-0.0000 ( 6311 PWs) bands (ev): -13.9004 -13.9004 -2.5325 -2.5325 -1.1882 -1.1882 -0.8857 -0.8857 3.0980 3.0980 3.1671 3.1671 3.9808 3.9808 4.5185 4.5185 4.5885 4.5885 4.7709 4.7709 9.5672 9.5672 10.1700 10.1700 11.3073 11.3073 11.8727 11.8727 k = 0.0000 0.2297-0.0000 ( 6311 PWs) bands (ev): -13.8975 -13.8975 -2.5474 -2.5474 -1.2116 -1.2116 -0.8835 -0.8835 3.1004 3.1004 3.1760 3.1760 4.0507 4.0507 4.5223 4.5223 4.6017 4.6017 4.7728 4.7728 9.4479 9.4479 10.1685 10.1685 11.2465 11.2465 11.7818 11.7818 k = 0.0000 0.2432-0.0000 ( 6319 PWs) bands (ev): -13.8945 -13.8945 -2.5628 -2.5628 -1.2341 -1.2341 -0.8814 -0.8814 3.1028 3.1028 3.1850 3.1850 4.1220 4.1220 4.5261 4.5261 4.6160 4.6160 4.7747 4.7747 9.3226 9.3226 10.1670 10.1670 11.1824 11.1824 11.6939 11.6939 k = 0.0000 0.2568-0.0000 ( 6319 PWs) bands (ev): -13.8915 -13.8915 -2.5787 -2.5787 -1.2557 -1.2557 -0.8792 -0.8792 3.1053 3.1053 3.1939 3.1939 4.1942 4.1942 4.5299 4.5299 4.6319 4.6319 4.7766 4.7766 9.1927 9.1927 10.1654 10.1654 11.1168 11.1168 11.6094 11.6094 k = 0.0000 0.2703-0.0000 ( 6307 PWs) bands (ev): -13.8885 -13.8885 -2.5950 -2.5950 -1.2761 -1.2761 -0.8770 -0.8770 3.1077 3.1077 3.2026 3.2026 4.2662 4.2662 4.5337 4.5337 4.6500 4.6500 4.7786 4.7786 9.0594 9.0594 10.1638 10.1638 11.0512 11.0512 11.5283 11.5283 k = 0.0000 0.2838-0.0000 ( 6303 PWs) bands (ev): -13.8856 -13.8856 -2.6114 -2.6114 -1.2954 -1.2954 -0.8748 -0.8748 3.1101 3.1101 3.2111 3.2111 4.3365 4.3365 4.5375 4.5375 4.6717 4.6717 4.7805 4.7805 8.9240 8.9240 10.1622 10.1622 10.9865 10.9865 11.4510 11.4510 k = 0.0000 0.2973-0.0000 ( 6311 PWs) bands (ev): -13.8826 -13.8826 -2.6279 -2.6279 -1.3134 -1.3134 -0.8727 -0.8727 3.1125 3.1125 3.2194 3.2194 4.4030 4.4030 4.5413 4.5413 4.6988 4.6988 4.7825 4.7825 8.7873 8.7873 10.1606 10.1606 10.9237 10.9237 11.3775 11.3775 k = 0.0000 0.3108-0.0000 ( 6303 PWs) bands (ev): -13.8798 -13.8798 -2.6443 -2.6443 -1.3301 -1.3301 -0.8706 -0.8706 3.1148 3.1148 3.2273 3.2273 4.4626 4.4626 4.5450 4.5450 4.7340 4.7340 4.7845 4.7845 8.6503 8.6503 10.1590 10.1590 10.8633 10.8633 11.3080 11.3080 k = 0.0000 0.3243-0.0000 ( 6311 PWs) bands (ev): -13.8771 -13.8771 -2.6605 -2.6605 -1.3456 -1.3456 -0.8686 -0.8686 3.1170 3.1170 3.2349 3.2349 4.5122 4.5122 4.5486 4.5486 4.7800 4.7800 4.7864 4.7864 8.5138 8.5138 10.1574 10.1574 10.8059 10.8059 11.2427 11.2427 k = 0.0000 0.3378-0.0000 ( 6311 PWs) bands (ev): -13.8744 -13.8744 -2.6762 -2.6762 -1.3597 -1.3597 -0.8667 -0.8667 3.1192 3.1192 3.2421 3.2421 4.5508 4.5508 4.5520 4.5520 4.7883 4.7883 4.8375 4.8375 8.3787 8.3787 10.1559 10.1559 10.7518 10.7518 11.1817 11.1817 k = 0.0000 0.3514-0.0000 ( 6311 PWs) bands (ev): -13.8719 -13.8719 -2.6913 -2.6913 -1.3725 -1.3725 -0.8649 -0.8649 3.1212 3.1212 3.2489 3.2489 4.5553 4.5553 4.5797 4.5797 4.7901 4.7901 4.9046 4.9046 8.2459 8.2459 10.1545 10.1545 10.7012 10.7012 11.1251 11.1251 k = 0.0000 0.3649-0.0000 ( 6315 PWs) bands (ev): -13.8696 -13.8696 -2.7058 -2.7058 -1.3841 -1.3841 -0.8631 -0.8631 3.1232 3.1232 3.2552 3.2552 4.5584 4.5584 4.6014 4.6014 4.7918 4.7918 4.9783 4.9783 8.1161 8.1161 10.1531 10.1531 10.6545 10.6545 11.0731 11.0731 k = 0.0000 0.3784-0.0000 ( 6319 PWs) bands (ev): -13.8674 -13.8674 -2.7193 -2.7193 -1.3944 -1.3944 -0.8616 -0.8616 3.1250 3.1250 3.2609 3.2609 4.5613 4.5613 4.6181 4.6181 4.7934 4.7934 5.0556 5.0556 7.9903 7.9903 10.1518 10.1518 10.6118 10.6118 11.0257 11.0257 k = 0.0000 0.3919-0.0000 ( 6311 PWs) bands (ev): -13.8654 -13.8654 -2.7318 -2.7318 -1.4035 -1.4035 -0.8601 -0.8601 3.1266 3.1266 3.2662 3.2662 4.5639 4.5639 4.6314 4.6314 4.7949 4.7949 5.1341 5.1341 7.8697 7.8697 10.1506 10.1506 10.5732 10.5732 10.9830 10.9830 k = 0.0000 0.4054-0.0000 ( 6311 PWs) bands (ev): -13.8636 -13.8636 -2.7432 -2.7432 -1.4114 -1.4114 -0.8588 -0.8588 3.1281 3.1281 3.2709 3.2709 4.5663 4.5663 4.6421 4.6421 4.7963 4.7963 5.2119 5.2119 7.7554 7.7554 10.1495 10.1495 10.5389 10.5389 10.9452 10.9452 k = 0.0000 0.4189-0.0000 ( 6311 PWs) bands (ev): -13.8620 -13.8620 -2.7533 -2.7533 -1.4182 -1.4182 -0.8576 -0.8576 3.1294 3.1294 3.2750 3.2750 4.5684 4.5684 4.6508 4.6508 4.7975 4.7975 5.2869 5.2869 7.6491 7.6491 10.1485 10.1485 10.5090 10.5090 10.9123 10.9123 k = 0.0000 0.4324-0.0000 ( 6311 PWs) bands (ev): -13.8606 -13.8606 -2.7620 -2.7620 -1.4239 -1.4239 -0.8566 -0.8566 3.1305 3.1305 3.2785 3.2785 4.5703 4.5703 4.6578 4.6578 4.7986 4.7986 5.3571 5.3571 7.5525 7.5525 10.1477 10.1477 10.4835 10.4835 10.8843 10.8843 k = 0.0000 0.4459-0.0000 ( 6327 PWs) bands (ev): -13.8595 -13.8595 -2.7693 -2.7693 -1.4285 -1.4285 -0.8558 -0.8558 3.1315 3.1315 3.2813 3.2813 4.5718 4.5718 4.6633 4.6633 4.7994 4.7994 5.4202 5.4202 7.4680 7.4680 10.1470 10.1470 10.4626 10.4626 10.8613 10.8613 k = 0.0000 0.4595-0.0000 ( 6342 PWs) bands (ev): -13.8586 -13.8586 -2.7750 -2.7750 -1.4321 -1.4321 -0.8552 -0.8552 3.1322 3.1322 3.2836 3.2836 4.5730 4.5730 4.6676 4.6676 4.8001 4.8001 5.4735 5.4735 7.3980 7.3980 10.1464 10.1464 10.4463 10.4463 10.8434 10.8434 k = 0.0000 0.4730-0.0000 ( 6342 PWs) bands (ev): -13.8579 -13.8579 -2.7791 -2.7791 -1.4346 -1.4346 -0.8547 -0.8547 3.1327 3.1327 3.2852 3.2852 4.5738 4.5738 4.6705 4.6705 4.8006 4.8006 5.5143 5.5143 7.3453 7.3453 10.1460 10.1460 10.4346 10.4346 10.8306 10.8306 k = 0.0000 0.4865-0.0000 ( 6342 PWs) bands (ev): -13.8575 -13.8575 -2.7816 -2.7816 -1.4361 -1.4361 -0.8544 -0.8544 3.1330 3.1330 3.2862 3.2862 4.5743 4.5743 4.6723 4.6723 4.8009 4.8009 5.5401 5.5401 7.3125 7.3125 10.1457 10.1457 10.4276 10.4276 10.8229 10.8229 k = 0.0000 0.5000-0.0000 ( 6302 PWs) bands (ev): -13.8574 -13.8574 -2.7825 -2.7825 -1.4366 -1.4366 -0.8543 -0.8543 3.1331 3.1331 3.2865 3.2865 4.5745 4.5745 4.6729 4.6729 4.8010 4.8010 5.5489 5.5489 7.3013 7.3013 10.1457 10.1457 10.4252 10.4252 10.8203 10.8203 k = 0.0000 0.5000-0.0000 ( 6302 PWs) bands (ev): -13.8574 -13.8574 -2.7825 -2.7825 -1.4366 -1.4366 -0.8543 -0.8543 3.1331 3.1331 3.2865 3.2865 4.5745 4.5745 4.6729 4.6729 4.8010 4.8010 5.5489 5.5489 7.3013 7.3013 10.1457 10.1457 10.4252 10.4252 10.8203 10.8203 k = 0.0135 0.5000-0.0000 ( 6338 PWs) bands (ev): -13.8573 -13.8573 -2.7824 -2.7824 -1.4368 -1.4368 -0.8550 -0.8550 3.1331 3.1331 3.2862 3.2862 4.5744 4.5744 4.6726 4.6726 4.8004 4.8004 5.5477 5.5477 7.3051 7.3051 10.1484 10.1484 10.4258 10.4258 10.8206 10.8206 k = 0.0270 0.5000-0.0000 ( 6342 PWs) bands (ev): -13.8570 -13.8570 -2.7821 -2.7821 -1.4375 -1.4375 -0.8571 -0.8571 3.1331 3.1331 3.2854 3.2854 4.5741 4.5741 4.6719 4.6719 4.7984 4.7984 5.5442 5.5442 7.3165 7.3165 10.1566 10.1566 10.4272 10.4272 10.8217 10.8217 k = 0.0405 0.5000-0.0000 ( 6342 PWs) bands (ev): -13.8564 -13.8564 -2.7816 -2.7816 -1.4386 -1.4386 -0.8604 -0.8604 3.1330 3.1330 3.2840 3.2840 4.5734 4.5734 4.6706 4.6706 4.7951 4.7951 5.5384 5.5384 7.3354 7.3354 10.1703 10.1703 10.4293 10.4293 10.8238 10.8238 k = 0.0541 0.5000-0.0000 ( 6336 PWs) bands (ev): -13.8557 -13.8557 -2.7809 -2.7809 -1.4402 -1.4402 -0.8650 -0.8650 3.1329 3.1329 3.2821 3.2821 4.5724 4.5724 4.6691 4.6691 4.7907 4.7907 5.5305 5.5305 7.3617 7.3617 10.1893 10.1893 10.4317 10.4317 10.8275 10.8275 k = 0.0676 0.5000-0.0000 ( 6336 PWs) bands (ev): -13.8547 -13.8547 -2.7800 -2.7800 -1.4423 -1.4423 -0.8706 -0.8706 3.1327 3.1327 3.2797 3.2797 4.5709 4.5709 4.6673 4.6673 4.7850 4.7850 5.5206 5.5206 7.3950 7.3950 10.2136 10.2136 10.4335 10.4335 10.8336 10.8336 k = 0.0811 0.5000-0.0000 ( 6320 PWs) bands (ev): -13.8535 -13.8535 -2.7791 -2.7791 -1.4449 -1.4449 -0.8772 -0.8772 3.1324 3.1324 3.2767 3.2767 4.5686 4.5686 4.6655 4.6655 4.7784 4.7784 5.5089 5.5089 7.4351 7.4351 10.2430 10.2430 10.4343 10.4343 10.8427 10.8427 k = 0.0946 0.5000-0.0000 ( 6318 PWs) bands (ev): -13.8521 -13.8521 -2.7780 -2.7780 -1.4481 -1.4481 -0.8845 -0.8845 3.1320 3.1320 3.2734 3.2734 4.5654 4.5654 4.6640 4.6640 4.7708 4.7708 5.4955 5.4955 7.4816 7.4816 10.2774 10.2774 10.4333 10.4333 10.8559 10.8559 k = 0.1081 0.5000-0.0000 ( 6310 PWs) bands (ev): -13.8506 -13.8506 -2.7768 -2.7768 -1.4520 -1.4520 -0.8924 -0.8924 3.1315 3.1315 3.2695 3.2695 4.5610 4.5610 4.6629 4.6629 4.7624 4.7624 5.4808 5.4808 7.5343 7.5343 10.3165 10.3165 10.4297 10.4297 10.8737 10.8737 k = 0.1216 0.5000-0.0000 ( 6302 PWs) bands (ev): -13.8489 -13.8489 -2.7756 -2.7756 -1.4565 -1.4565 -0.9006 -0.9006 3.1308 3.1308 3.2653 3.2653 4.5552 4.5552 4.6625 4.6625 4.7533 4.7533 5.4649 5.4649 7.5926 7.5926 10.3599 10.3599 10.4235 10.4235 10.8969 10.8969 k = 0.1351 0.5000-0.0000 ( 6302 PWs) bands (ev): -13.8470 -13.8470 -2.7745 -2.7745 -1.4618 -1.4618 -0.9089 -0.9089 3.1299 3.1299 3.2608 3.2608 4.5478 4.5478 4.6628 4.6628 4.7438 4.7438 5.4481 5.4481 7.6562 7.6562 10.4045 10.4045 10.4171 10.4171 10.9257 10.9257 k = 0.1486 0.5000-0.0000 ( 6306 PWs) bands (ev): -13.8449 -13.8449 -2.7734 -2.7734 -1.4678 -1.4678 -0.9172 -0.9172 3.1288 3.1288 3.2559 3.2559 4.5387 4.5387 4.6639 4.6639 4.7340 4.7340 5.4307 5.4307 7.7247 7.7247 10.4001 10.4001 10.4603 10.4603 10.9601 10.9601 k = 0.1622 0.5000-0.0000 ( 6298 PWs) bands (ev): -13.8428 -13.8428 -2.7724 -2.7724 -1.4745 -1.4745 -0.9251 -0.9251 3.1274 3.1274 3.2508 3.2508 4.5279 4.5279 4.6655 4.6655 4.7244 4.7244 5.4130 5.4130 7.7976 7.7976 10.3849 10.3849 10.5148 10.5148 11.0002 11.0002 k = 0.1757 0.5000-0.0000 ( 6302 PWs) bands (ev): -13.8405 -13.8405 -2.7715 -2.7715 -1.4819 -1.4819 -0.9327 -0.9327 3.1257 3.1257 3.2455 3.2455 4.5154 4.5154 4.6669 4.6669 4.7156 4.7156 5.3952 5.3952 7.8745 7.8745 10.3669 10.3669 10.5722 10.5722 11.0457 11.0457 k = 0.1892 0.5000-0.0000 ( 6300 PWs) bands (ev): -13.8381 -13.8381 -2.7709 -2.7709 -1.4900 -1.4900 -0.9396 -0.9396 3.1236 3.1236 3.2400 3.2400 4.5015 4.5015 4.6671 4.6671 4.7089 4.7089 5.3775 5.3775 7.9551 7.9551 10.3467 10.3467 10.6316 10.6316 11.0964 11.0964 k = 0.2027 0.5000-0.0000 ( 6300 PWs) bands (ev): -13.8356 -13.8356 -2.7704 -2.7704 -1.4988 -1.4988 -0.9458 -0.9458 3.1213 3.1213 3.2345 3.2345 4.4861 4.4861 4.6642 4.6642 4.7059 4.7059 5.3603 5.3603 8.0389 8.0389 10.3247 10.3247 10.6922 10.6922 11.1519 11.1519 k = 0.2162 0.5000-0.0000 ( 6300 PWs) bands (ev): -13.8330 -13.8330 -2.7703 -2.7703 -1.5081 -1.5081 -0.9512 -0.9512 3.1185 3.1185 3.2289 3.2289 4.4694 4.4694 4.6577 4.6577 4.7072 4.7072 5.3437 5.3437 8.1256 8.1256 10.3011 10.3011 10.7531 10.7531 11.2121 11.2121 k = 0.2297 0.5000-0.0000 ( 6284 PWs) bands (ev): -13.8304 -13.8304 -2.7704 -2.7704 -1.5178 -1.5178 -0.9558 -0.9558 3.1154 3.1154 3.2233 3.2233 4.4516 4.4516 4.6487 4.6487 4.7117 4.7117 5.3279 5.3279 8.2147 8.2147 10.2764 10.2764 10.8132 10.8132 11.2767 11.2767 k = 0.2432 0.5000-0.0000 ( 6284 PWs) bands (ev): -13.8278 -13.8278 -2.7709 -2.7709 -1.5278 -1.5278 -0.9594 -0.9594 3.1119 3.1119 3.2178 3.2178 4.4329 4.4329 4.6384 4.6384 4.7180 4.7180 5.3132 5.3132 8.3060 8.3060 10.2508 10.2508 10.8712 10.8712 11.3453 11.3453 k = 0.2568 0.5000-0.0000 ( 6292 PWs) bands (ev): -13.8252 -13.8252 -2.7717 -2.7717 -1.5380 -1.5380 -0.9623 -0.9623 3.1080 3.1080 3.2124 3.2124 4.4135 4.4135 4.6275 4.6275 4.7255 4.7255 5.2995 5.2995 8.3991 8.3991 10.2247 10.2247 10.9260 10.9260 11.4178 11.4178 k = 0.2703 0.5000-0.0000 ( 6288 PWs) bands (ev): -13.8225 -13.8225 -2.7729 -2.7729 -1.5482 -1.5482 -0.9643 -0.9643 3.1037 3.1037 3.2072 3.2072 4.3935 4.3935 4.6165 4.6165 4.7335 4.7335 5.2872 5.2872 8.4936 8.4936 10.1983 10.1983 10.9761 10.9761 11.4938 11.4938 k = 0.2838 0.5000-0.0000 ( 6288 PWs) bands (ev): -13.8199 -13.8199 -2.7744 -2.7744 -1.5583 -1.5583 -0.9656 -0.9656 3.0991 3.0991 3.2022 3.2022 4.3732 4.3732 4.6056 4.6056 4.7419 4.7419 5.2762 5.2762 8.5892 8.5892 10.1718 10.1718 11.0202 11.0202 11.5732 11.5732 k = 0.2973 0.5000-0.0000 ( 6292 PWs) bands (ev): -13.8173 -13.8173 -2.7762 -2.7762 -1.5681 -1.5681 -0.9662 -0.9662 3.0942 3.0942 3.1974 3.1974 4.3528 4.3528 4.5948 4.5948 4.7505 4.7505 5.2665 5.2665 8.6857 8.6857 10.1457 10.1457 11.0567 11.0567 11.6556 11.6556 k = 0.3108 0.5000-0.0000 ( 6288 PWs) bands (ev): -13.8148 -13.8148 -2.7783 -2.7783 -1.5777 -1.5777 -0.9662 -0.9662 3.0891 3.0891 3.1929 3.1929 4.3324 4.3324 4.5844 4.5844 4.7589 4.7589 5.2582 5.2582 8.7825 8.7825 10.1201 10.1201 11.0845 11.0845 11.7409 11.7409 k = 0.3243 0.5000-0.0000 ( 6282 PWs) bands (ev): -13.8124 -13.8124 -2.7807 -2.7807 -1.5867 -1.5867 -0.9657 -0.9657 3.0838 3.0838 3.1886 3.1886 4.3124 4.3124 4.5744 4.5744 4.7672 4.7672 5.2514 5.2514 8.8795 8.8795 10.0953 10.0953 11.1026 11.1026 11.8289 11.8289 k = 0.3378 0.5000-0.0000 ( 6282 PWs) bands (ev): -13.8101 -13.8101 -2.7833 -2.7833 -1.5953 -1.5953 -0.9648 -0.9648 3.0784 3.0784 3.1846 3.1846 4.2929 4.2929 4.5648 4.5648 4.7751 4.7751 5.2458 5.2458 8.9761 8.9761 10.0718 10.0718 11.1102 11.1102 11.9193 11.9193 k = 0.3514 0.5000-0.0000 ( 6288 PWs) bands (ev): -13.8079 -13.8079 -2.7861 -2.7861 -1.6032 -1.6032 -0.9636 -0.9636 3.0730 3.0730 3.1809 3.1809 4.2742 4.2742 4.5558 4.5558 4.7825 4.7825 5.2415 5.2415 9.0718 9.0718 10.0498 10.0498 11.1071 11.1071 12.0120 12.0120 k = 0.3649 0.5000-0.0000 ( 6282 PWs) bands (ev): -13.8058 -13.8058 -2.7889 -2.7889 -1.6104 -1.6104 -0.9621 -0.9621 3.0677 3.0677 3.1775 3.1775 4.2564 4.2564 4.5474 4.5474 4.7894 4.7894 5.2383 5.2383 9.1661 9.1661 10.0299 10.0299 11.0934 11.0934 12.1066 12.1066 k = 0.3784 0.5000-0.0000 ( 6286 PWs) bands (ev): -13.8039 -13.8039 -2.7918 -2.7918 -1.6170 -1.6170 -0.9605 -0.9605 3.0626 3.0626 3.1744 3.1744 4.2397 4.2397 4.5397 4.5397 4.7956 4.7956 5.2362 5.2362 9.2580 9.2580 10.0125 10.0125 11.0698 11.0698 12.2028 12.2028 k = 0.3919 0.5000-0.0000 ( 6286 PWs) bands (ev): -13.8021 -13.8021 -2.7946 -2.7946 -1.6229 -1.6229 -0.9588 -0.9588 3.0578 3.0578 3.1716 3.1716 4.2243 4.2243 4.5326 4.5326 4.8012 4.8012 5.2348 5.2348 9.3467 9.3467 9.9985 9.9985 11.0374 11.0374 12.3003 12.3003 k = 0.4054 0.5000-0.0000 ( 6284 PWs) bands (ev): -13.8005 -13.8005 -2.7973 -2.7973 -1.6280 -1.6280 -0.9572 -0.9572 3.0533 3.0533 3.1691 3.1691 4.2104 4.2104 4.5263 4.5263 4.8061 4.8061 5.2342 5.2342 9.4304 9.4304 9.9887 9.9887 10.9976 10.9976 12.3983 12.3983 k = 0.4189 0.5000-0.0000 ( 6280 PWs) bands (ev): -13.7991 -13.7991 -2.7998 -2.7998 -1.6324 -1.6324 -0.9556 -0.9556 3.0492 3.0492 3.1669 3.1669 4.1981 4.1981 4.5208 4.5208 4.8104 4.8104 5.2342 5.2342 9.5072 9.5072 9.9844 9.9844 10.9521 10.9521 12.4961 12.4961 k = 0.4324 0.5000-0.0000 ( 6272 PWs) bands (ev): -13.7979 -13.7979 -2.8021 -2.8021 -1.6362 -1.6362 -0.9542 -0.9542 3.0456 3.0456 3.1650 3.1650 4.1874 4.1874 4.5160 4.5160 4.8139 4.8139 5.2344 5.2344 9.5744 9.5744 9.9870 9.9870 10.9033 10.9033 12.5921 12.5921 k = 0.4459 0.5000-0.0000 ( 6270 PWs) bands (ev): -13.7969 -13.7969 -2.8040 -2.8040 -1.6392 -1.6392 -0.9529 -0.9529 3.0426 3.0426 3.1635 3.1635 4.1786 4.1786 4.5121 4.5121 4.8167 4.8167 5.2349 5.2349 9.6291 9.6291 9.9975 9.9975 10.8539 10.8539 12.6840 12.6840 k = 0.4595 0.5000-0.0000 ( 6274 PWs) bands (ev): -13.7961 -13.7961 -2.8056 -2.8056 -1.6415 -1.6415 -0.9519 -0.9519 3.0402 3.0402 3.1623 3.1623 4.1716 4.1716 4.5091 4.5091 4.8189 4.8189 5.2354 5.2354 9.6695 9.6695 10.0150 10.0150 10.8073 10.8073 12.7681 12.7681 k = 0.4730 0.5000-0.0000 ( 6264 PWs) bands (ev): -13.7955 -13.7955 -2.8067 -2.8067 -1.6432 -1.6432 -0.9511 -0.9511 3.0384 3.0384 3.1614 3.1614 4.1666 4.1666 4.5069 4.5069 4.8205 4.8205 5.2359 5.2359 9.6957 9.6957 10.0356 10.0356 10.7682 10.7682 12.8373 12.8373 k = 0.4865 0.5000-0.0000 ( 6256 PWs) bands (ev): -13.7952 -13.7952 -2.8074 -2.8074 -1.6441 -1.6441 -0.9507 -0.9507 3.0374 3.0374 3.1609 3.1609 4.1636 4.1636 4.5055 4.5055 4.8214 4.8214 5.2362 5.2362 9.7100 9.7100 10.0524 10.0524 10.7416 10.7416 12.8793 12.8793 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -13.7951 -13.7951 -2.8077 -2.8077 -1.6445 -1.6445 -0.9505 -0.9505 3.0370 3.0370 3.1607 3.1607 4.1626 4.1626 4.5051 4.5051 4.8217 4.8217 5.2363 5.2363 9.7144 9.7144 10.0589 10.0589 10.7321 10.7321 12.8896 12.8896 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -13.7951 -13.7951 -2.8077 -2.8077 -1.6445 -1.6445 -0.9505 -0.9505 3.0370 3.0370 3.1607 3.1607 4.1626 4.1626 4.5051 4.5051 4.8217 4.8217 5.2363 5.2363 9.7144 9.7144 10.0589 10.0589 10.7321 10.7321 12.8896 12.8896 k = 0.4906 0.4906-0.0000 ( 6256 PWs) bands (ev): -13.7952 -13.7952 -2.8074 -2.8074 -1.6441 -1.6441 -0.9507 -0.9507 3.0374 3.0374 3.1609 3.1609 4.1635 4.1635 4.5055 4.5055 4.8214 4.8214 5.2362 5.2362 9.7101 9.7101 10.0525 10.0525 10.7414 10.7414 12.8799 12.8799 k = 0.4811 0.4811-0.0000 ( 6268 PWs) bands (ev): -13.7955 -13.7955 -2.8067 -2.8067 -1.6432 -1.6432 -0.9511 -0.9511 3.0384 3.0384 3.1614 3.1614 4.1665 4.1665 4.5068 4.5068 4.8205 4.8205 5.2359 5.2359 9.6966 9.6966 10.0357 10.0357 10.7674 10.7674 12.8414 12.8414 k = 0.4717 0.4717-0.0000 ( 6270 PWs) bands (ev): -13.7961 -13.7961 -2.8056 -2.8056 -1.6416 -1.6416 -0.9519 -0.9519 3.0401 3.0401 3.1622 3.1622 4.1714 4.1714 4.5089 4.5089 4.8190 4.8190 5.2353 5.2353 9.6725 9.6725 10.0142 10.0142 10.8061 10.8061 12.7774 12.7774 k = 0.4623 0.4623-0.0000 ( 6270 PWs) bands (ev): -13.7968 -13.7968 -2.8040 -2.8040 -1.6393 -1.6393 -0.9529 -0.9529 3.0424 3.0424 3.1633 3.1633 4.1781 4.1781 4.5119 4.5119 4.8170 4.8170 5.2345 5.2345 9.6366 9.6366 9.9938 9.9938 10.8525 10.8525 12.6997 12.6997 k = 0.4528 0.4528-0.0000 ( 6276 PWs) bands (ev): -13.7978 -13.7978 -2.8019 -2.8019 -1.6364 -1.6364 -0.9542 -0.9542 3.0454 3.0454 3.1647 3.1647 4.1866 4.1866 4.5156 4.5156 4.8143 4.8143 5.2334 5.2334 9.5891 9.5891 9.9782 9.9782 10.9026 10.9026 12.6153 12.6153 k = 0.4434 0.4434-0.0000 ( 6278 PWs) bands (ev): -13.7990 -13.7990 -2.7994 -2.7994 -1.6328 -1.6328 -0.9557 -0.9557 3.0488 3.0488 3.1663 3.1663 4.1967 4.1967 4.5200 4.5200 4.8111 4.8111 5.2320 5.2320 9.5320 9.5320 9.9689 9.9689 10.9534 10.9534 12.5281 12.5281 k = 0.4340 0.4340-0.0000 ( 6278 PWs) bands (ev): -13.8004 -13.8004 -2.7963 -2.7963 -1.6284 -1.6284 -0.9575 -0.9575 3.0528 3.0528 3.1681 3.1681 4.2083 4.2083 4.5251 4.5251 4.8074 4.8074 5.2302 5.2302 9.4679 9.4679 9.9651 9.9651 11.0024 11.0024 12.4405 12.4405 k = 0.4245 0.4245-0.0000 ( 6278 PWs) bands (ev): -13.8021 -13.8021 -2.7928 -2.7928 -1.6234 -1.6234 -0.9594 -0.9594 3.0571 3.0571 3.1701 3.1701 4.2213 4.2213 4.5308 4.5308 4.8031 4.8031 5.2280 5.2280 9.3998 9.3998 9.9658 9.9658 11.0482 11.0482 12.3541 12.3542 k = 0.4151 0.4151-0.0000 ( 6284 PWs) bands (ev): -13.8039 -13.8039 -2.7889 -2.7889 -1.6176 -1.6176 -0.9615 -0.9615 3.0618 3.0618 3.1721 3.1721 4.2354 4.2354 4.5370 4.5370 4.7984 4.7984 5.2252 5.2252 9.3300 9.3300 9.9701 9.9701 11.0894 11.0894 12.2699 12.2699 k = 0.4057 0.4057-0.0000 ( 6288 PWs) bands (ev): -13.8059 -13.8059 -2.7844 -2.7844 -1.6111 -1.6111 -0.9638 -0.9638 3.0667 3.0667 3.1742 3.1742 4.2504 4.2504 4.5435 4.5435 4.7932 4.7932 5.2218 5.2218 9.2604 9.2604 9.9771 9.9771 11.1253 11.1253 12.1886 12.1886 k = 0.3962 0.3962-0.0000 ( 6292 PWs) bands (ev): -13.8081 -13.8081 -2.7795 -2.7795 -1.6038 -1.6038 -0.9661 -0.9661 3.0717 3.0717 3.1763 3.1763 4.2661 4.2661 4.5504 4.5504 4.7875 4.7875 5.2177 5.2177 9.1927 9.1927 9.9861 9.9861 11.1551 11.1551 12.1107 12.1107 k = 0.3868 0.3868-0.0000 ( 6296 PWs) bands (ev): -13.8105 -13.8105 -2.7741 -2.7741 -1.5957 -1.5957 -0.9685 -0.9685 3.0769 3.0769 3.1784 3.1784 4.2823 4.2823 4.5574 4.5574 4.7815 4.7815 5.2125 5.2125 9.1282 9.1282 9.9968 9.9968 11.1787 11.1787 12.0367 12.0367 k = 0.3774 0.3774-0.0000 ( 6296 PWs) bands (ev): -13.8131 -13.8131 -2.7682 -2.7682 -1.5867 -1.5867 -0.9709 -0.9709 3.0821 3.0821 3.1803 3.1803 4.2986 4.2986 4.5644 4.5644 4.7751 4.7751 5.2062 5.2062 9.0679 9.0679 10.0088 10.0088 11.1957 11.1957 11.9669 11.9669 k = 0.3679 0.3679-0.0000 ( 6294 PWs) bands (ev): -13.8158 -13.8158 -2.7618 -2.7618 -1.5770 -1.5770 -0.9733 -0.9733 3.0873 3.0873 3.1821 3.1821 4.3148 4.3148 4.5712 4.5712 4.7684 4.7684 5.1984 5.1984 9.0129 9.0129 10.0217 10.0217 11.2064 11.2064 11.9015 11.9015 k = 0.3585 0.3585-0.0000 ( 6290 PWs) bands (ev): -13.8187 -13.8187 -2.7549 -2.7549 -1.5664 -1.5664 -0.9756 -0.9756 3.0923 3.0923 3.1837 3.1837 4.3307 4.3307 4.5778 4.5778 4.7615 4.7615 5.1889 5.1889 8.9641 8.9641 10.0354 10.0354 11.2109 11.2109 11.8408 11.8408 k = 0.3491 0.3491-0.0000 ( 6286 PWs) bands (ev): -13.8218 -13.8218 -2.7475 -2.7475 -1.5549 -1.5549 -0.9778 -0.9778 3.0972 3.0972 3.1851 3.1851 4.3460 4.3460 4.5838 4.5838 4.7545 4.7545 5.1776 5.1776 8.9224 8.9224 10.0496 10.0496 11.2094 11.2094 11.7848 11.7848 k = 0.3396 0.3396-0.0000 ( 6290 PWs) bands (ev): -13.8250 -13.8250 -2.7396 -2.7396 -1.5425 -1.5425 -0.9798 -0.9798 3.1018 3.1018 3.1862 3.1862 4.3605 4.3605 4.5891 4.5891 4.7474 4.7474 5.1639 5.1639 8.8886 8.8886 10.0641 10.0641 11.2026 11.2026 11.7338 11.7338 k = 0.3302 0.3302-0.0000 ( 6292 PWs) bands (ev): -13.8283 -13.8283 -2.7313 -2.7313 -1.5293 -1.5293 -0.9817 -0.9817 3.1061 3.1061 3.1870 3.1870 4.3738 4.3738 4.5935 4.5935 4.7404 4.7404 5.1478 5.1478 8.8632 8.8632 10.0788 10.0788 11.1909 11.1909 11.6877 11.6877 k = 0.3208 0.3208-0.0000 ( 6296 PWs) bands (ev): -13.8317 -13.8317 -2.7225 -2.7225 -1.5152 -1.5152 -0.9834 -0.9834 3.1101 3.1101 3.1875 3.1875 4.3858 4.3858 4.5968 4.5968 4.7336 4.7336 5.1291 5.1291 8.8469 8.8469 10.0934 10.0934 11.1749 11.1749 11.6467 11.6467 k = 0.3113 0.3113-0.0000 ( 6300 PWs) bands (ev): -13.8352 -13.8352 -2.7132 -2.7132 -1.5003 -1.5003 -0.9848 -0.9848 3.1137 3.1137 3.1877 3.1877 4.3962 4.3962 4.5988 4.5988 4.7271 4.7271 5.1076 5.1076 8.8401 8.8401 10.1079 10.1079 11.1554 11.1554 11.6107 11.6107 k = 0.3019 0.3019-0.0000 ( 6300 PWs) bands (ev): -13.8389 -13.8389 -2.7035 -2.7035 -1.4845 -1.4845 -0.9859 -0.9859 3.1169 3.1169 3.1875 3.1875 4.4046 4.4046 4.5993 4.5993 4.7211 4.7211 5.0833 5.0833 8.8432 8.8432 10.1221 10.1221 11.1330 11.1330 11.5798 11.5798 k = 0.2925 0.2925-0.0000 ( 6296 PWs) bands (ev): -13.8426 -13.8426 -2.6934 -2.6934 -1.4679 -1.4679 -0.9867 -0.9867 3.1197 3.1197 3.1870 3.1870 4.4109 4.4109 4.5981 4.5981 4.7154 4.7154 5.0564 5.0564 8.8564 8.8564 10.1359 10.1359 11.1084 11.1084 11.5540 11.5540 k = 0.2830 0.2830-0.0000 ( 6286 PWs) bands (ev): -13.8464 -13.8464 -2.6829 -2.6829 -1.4504 -1.4504 -0.9872 -0.9872 3.1220 3.1220 3.1861 3.1861 4.4146 4.4146 4.5953 4.5953 4.7103 4.7103 5.0273 5.0273 8.8796 8.8796 10.1492 10.1492 11.0822 11.0822 11.5334 11.5334 k = 0.2736 0.2736-0.0000 ( 6302 PWs) bands (ev): -13.8502 -13.8502 -2.6720 -2.6720 -1.4322 -1.4322 -0.9874 -0.9874 3.1239 3.1239 3.1848 3.1848 4.4151 4.4151 4.5910 4.5910 4.7053 4.7053 4.9964 4.9964 8.9127 8.9127 10.1618 10.1618 11.0550 11.0550 11.5181 11.5181 k = 0.2642 0.2642-0.0000 ( 6288 PWs) bands (ev): -13.8541 -13.8541 -2.6607 -2.6607 -1.4131 -1.4131 -0.9871 -0.9871 3.1253 3.1253 3.1831 3.1831 4.4118 4.4118 4.5855 4.5855 4.7004 4.7004 4.9646 4.9646 8.9555 8.9555 10.1737 10.1737 11.0275 11.0275 11.5080 11.5080 k = 0.2547 0.2547-0.0000 ( 6294 PWs) bands (ev): -13.8581 -13.8581 -2.6492 -2.6492 -1.3934 -1.3934 -0.9865 -0.9865 3.1262 3.1262 3.1810 3.1810 4.4040 4.4040 4.5793 4.5793 4.6950 4.6950 4.9329 4.9329 9.0075 9.0075 10.1848 10.1848 11.0001 11.0001 11.5034 11.5034 k = 0.2453 0.2453-0.0000 ( 6290 PWs) bands (ev): -13.8620 -13.8620 -2.6374 -2.6374 -1.3730 -1.3730 -0.9855 -0.9855 3.1266 3.1266 3.1786 3.1786 4.3908 4.3908 4.5727 4.5727 4.6887 4.6887 4.9026 4.9026 9.0681 9.0681 10.1950 10.1950 10.9736 10.9736 11.5043 11.5043 k = 0.2358 0.2358-0.0000 ( 6290 PWs) bands (ev): -13.8659 -13.8659 -2.6253 -2.6253 -1.3519 -1.3519 -0.9841 -0.9841 3.1265 3.1265 3.1757 3.1757 4.3713 4.3713 4.5662 4.5662 4.6812 4.6812 4.8747 4.8747 9.1366 9.1366 10.2043 10.2043 10.9487 10.9487 11.5106 11.5106 k = 0.2264 0.2264-0.0000 ( 6296 PWs) bands (ev): -13.8699 -13.8699 -2.6131 -2.6131 -1.3302 -1.3302 -0.9824 -0.9824 3.1261 3.1261 3.1725 3.1725 4.3451 4.3451 4.5601 4.5601 4.6721 4.6721 4.8505 4.8505 9.2122 9.2122 10.2125 10.2125 10.9259 10.9259 11.5224 11.5224 k = 0.2170 0.2170-0.0000 ( 6304 PWs) bands (ev): -13.8738 -13.8738 -2.6008 -2.6008 -1.3080 -1.3080 -0.9802 -0.9802 3.1252 3.1252 3.1690 3.1690 4.3119 4.3119 4.5546 4.5546 4.6615 4.6615 4.8305 4.8305 9.2936 9.2936 10.2197 10.2197 10.9061 10.9061 11.5398 11.5398 k = 0.2075 0.2075-0.0000 ( 6316 PWs) bands (ev): -13.8777 -13.8777 -2.5884 -2.5884 -1.2853 -1.2853 -0.9776 -0.9776 3.1239 3.1239 3.1651 3.1651 4.2721 4.2721 4.5495 4.5495 4.6496 4.6496 4.8148 4.8148 9.3798 9.3798 10.2257 10.2257 10.8902 10.8902 11.5627 11.5627 k = 0.1981 0.1981-0.0000 ( 6308 PWs) bands (ev): -13.8815 -13.8815 -2.5760 -2.5760 -1.2623 -1.2623 -0.9748 -0.9748 3.1222 3.1222 3.1609 3.1609 4.2264 4.2264 4.5449 4.5449 4.6369 4.6369 4.8027 4.8027 9.4692 9.4692 10.2306 10.2306 10.8791 10.8791 11.5911 11.5911 k = 0.1887 0.1887-0.0000 ( 6314 PWs) bands (ev): -13.8852 -13.8852 -2.5636 -2.5636 -1.2389 -1.2389 -0.9715 -0.9715 3.1203 3.1203 3.1564 3.1564 4.1759 4.1759 4.5405 4.5405 4.6240 4.6240 4.7935 4.7935 9.5601 9.5601 10.2342 10.2342 10.8742 10.8742 11.6251 11.6251 k = 0.1792 0.1792-0.0000 ( 6308 PWs) bands (ev): -13.8889 -13.8889 -2.5513 -2.5513 -1.2153 -1.2153 -0.9680 -0.9680 3.1180 3.1180 3.1517 3.1517 4.1215 4.1215 4.5363 4.5363 4.6112 4.6112 4.7866 4.7866 9.6504 9.6504 10.2367 10.2367 10.8769 10.8769 11.6645 11.6645 k = 0.1698 0.1698-0.0000 ( 6304 PWs) bands (ev): -13.8925 -13.8925 -2.5392 -2.5392 -1.1916 -1.1916 -0.9642 -0.9642 3.1155 3.1155 3.1468 3.1468 4.0644 4.0644 4.5322 4.5322 4.5988 4.5988 4.7813 4.7813 9.7379 9.7379 10.2380 10.2380 10.8888 10.8888 11.7095 11.7095 k = 0.1604 0.1604-0.0000 ( 6304 PWs) bands (ev): -13.8959 -13.8959 -2.5274 -2.5274 -1.1679 -1.1679 -0.9602 -0.9602 3.1128 3.1128 3.1416 3.1416 4.0055 4.0055 4.5281 4.5281 4.5870 4.5870 4.7771 4.7771 9.8201 9.8201 10.2381 10.2381 10.9116 10.9116 11.7601 11.7601 k = 0.1509 0.1509-0.0000 ( 6302 PWs) bands (ev): -13.8993 -13.8993 -2.5158 -2.5158 -1.1443 -1.1443 -0.9560 -0.9560 3.1099 3.1099 3.1364 3.1364 3.9458 3.9458 4.5241 4.5241 4.5757 4.5757 4.7737 4.7737 9.8946 9.8946 10.2371 10.2371 10.9468 10.9468 11.8163 11.8163 k = 0.1415 0.1415-0.0000 ( 6302 PWs) bands (ev): -13.9025 -13.9025 -2.5046 -2.5046 -1.1209 -1.1209 -0.9516 -0.9516 3.1070 3.1070 3.1310 3.1310 3.8860 3.8860 4.5202 4.5202 4.5651 4.5651 4.7709 4.7709 9.9594 9.9594 10.2352 10.2352 10.9953 10.9953 11.8782 11.8782 k = 0.1321 0.1321-0.0000 ( 6306 PWs) bands (ev): -13.9056 -13.9056 -2.4938 -2.4938 -1.0980 -1.0980 -0.9472 -0.9472 3.1039 3.1039 3.1257 3.1257 3.8269 3.8269 4.5163 4.5163 4.5551 4.5551 4.7685 4.7685 10.0135 10.0135 10.2323 10.2323 11.0567 11.0567 11.9460 11.9460 k = 0.1226 0.1226-0.0000 ( 6302 PWs) bands (ev): -13.9085 -13.9085 -2.4835 -2.4835 -1.0755 -1.0755 -0.9427 -0.9427 3.1008 3.1008 3.1203 3.1203 3.7692 3.7692 4.5125 4.5125 4.5457 4.5457 4.7664 4.7664 10.0570 10.0570 10.2286 10.2286 11.1295 11.1295 12.0200 12.0200 k = 0.1132 0.1132-0.0000 ( 6310 PWs) bands (ev): -13.9112 -13.9112 -2.4737 -2.4737 -1.0538 -1.0538 -0.9383 -0.9383 3.0978 3.0978 3.1150 3.1150 3.7133 3.7133 4.5088 4.5088 4.5370 4.5370 4.7646 4.7646 10.0909 10.0909 10.2244 10.2244 11.2111 11.2111 12.1004 12.1004 k = 0.1038 0.1038-0.0000 ( 6298 PWs) bands (ev): -13.9138 -13.9138 -2.4645 -2.4645 -1.0329 -1.0329 -0.9339 -0.9339 3.0948 3.0948 3.1098 3.1098 3.6599 3.6599 4.5053 4.5053 4.5288 4.5288 4.7630 4.7630 10.1166 10.1166 10.2197 10.2197 11.2979 11.2979 12.1877 12.1877 k = 0.0943 0.0943-0.0000 ( 6297 PWs) bands (ev): -13.9162 -13.9162 -2.4559 -2.4559 -1.0130 -1.0130 -0.9297 -0.9297 3.0919 3.0919 3.1048 3.1048 3.6095 3.6095 4.5019 4.5019 4.5213 4.5213 4.7616 4.7616 10.1358 10.1358 10.2148 10.2148 11.3864 11.3864 12.2821 12.2821 k = 0.0849 0.0849-0.0000 ( 6293 PWs) bands (ev): -13.9183 -13.9183 -2.4480 -2.4480 -0.9943 -0.9943 -0.9257 -0.9257 3.0892 3.0892 3.1000 3.1000 3.5625 3.5625 4.4988 4.4988 4.5145 4.5145 4.7604 4.7604 10.1499 10.1499 10.2099 10.2099 11.4730 11.4730 12.3837 12.3837 k = 0.0755 0.0755-0.0000 ( 6301 PWs) bands (ev): -13.9203 -13.9203 -2.4409 -2.4409 -0.9770 -0.9770 -0.9219 -0.9219 3.0866 3.0866 3.0955 3.0955 3.5193 3.5193 4.4959 4.4959 4.5083 4.5083 4.7593 4.7593 10.1602 10.1602 10.2050 10.2050 11.5547 11.5547 12.4920 12.4920 k = 0.0660 0.0660-0.0000 ( 6305 PWs) bands (ev): -13.9221 -13.9221 -2.4345 -2.4345 -0.9612 -0.9612 -0.9184 -0.9184 3.0842 3.0842 3.0913 3.0913 3.4803 3.4803 4.4932 4.4932 4.5027 4.5027 4.7583 4.7583 10.1677 10.1677 10.2004 10.2004 11.6291 11.6291 12.6062 12.6062 k = 0.0566 0.0566-0.0000 ( 6301 PWs) bands (ev): -13.9236 -13.9236 -2.4288 -2.4288 -0.9471 -0.9471 -0.9153 -0.9153 3.0821 3.0821 3.0875 3.0875 3.4458 3.4458 4.4909 4.4909 4.4979 4.4979 4.7574 4.7574 10.1731 10.1731 10.1962 10.1962 11.6946 11.6946 12.7241 12.7241 k = 0.0472 0.0472-0.0000 ( 6311 PWs) bands (ev): -13.9249 -13.9249 -2.4240 -2.4240 -0.9349 -0.9349 -0.9126 -0.9126 3.0803 3.0803 3.0841 3.0841 3.4162 3.4162 4.4889 4.4889 4.4938 4.4938 4.7567 4.7567 10.1769 10.1769 10.1924 10.1924 11.7500 11.7500 12.8429 12.8429 k = 0.0377 0.0377-0.0000 ( 6309 PWs) bands (ev): -13.9260 -13.9260 -2.4201 -2.4201 -0.9247 -0.9247 -0.9103 -0.9103 3.0787 3.0787 3.0813 3.0813 3.3917 3.3917 4.4873 4.4873 4.4904 4.4904 4.7562 4.7562 10.1796 10.1796 10.1893 10.1893 11.7952 11.7952 12.9580 12.9580 k = 0.0283 0.0283-0.0000 ( 6307 PWs) bands (ev): -13.9268 -13.9268 -2.4170 -2.4170 -0.9167 -0.9167 -0.9085 -0.9085 3.0775 3.0775 3.0790 3.0790 3.3724 3.3724 4.4859 4.4859 4.4877 4.4877 4.7557 4.7557 10.1814 10.1814 10.1867 10.1867 11.8300 11.8300 13.0633 13.0633 k = 0.0189 0.0189-0.0000 ( 6313 PWs) bands (ev): -13.9274 -13.9274 -2.4147 -2.4147 -0.9108 -0.9108 -0.9072 -0.9072 3.0766 3.0766 3.0772 3.0772 3.3585 3.3585 4.4850 4.4850 4.4858 4.4858 4.7554 4.7554 10.1825 10.1825 10.1849 10.1849 11.8546 11.8546 13.1504 13.1504 k = 0.0094 0.0094-0.0000 ( 6339 PWs) bands (ev): -13.9278 -13.9278 -2.4134 -2.4134 -0.9073 -0.9073 -0.9064 -0.9064 3.0760 3.0760 3.0762 3.0762 3.3502 3.3502 4.4844 4.4844 4.4846 4.4846 4.7552 4.7552 10.1832 10.1832 10.1837 10.1837 11.8692 11.8692 13.2090 13.2090 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -13.9279 -13.9279 -2.4129 -2.4129 -0.9061 -0.9061 -0.9061 -0.9061 3.0758 3.0758 3.0758 3.0758 3.3474 3.3474 4.4842 4.4842 4.4842 4.4842 4.7551 4.7551 10.1834 10.1834 10.1834 10.1834 11.8741 11.8741 13.2299 13.2299 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -13.9279 -13.9279 -2.4129 -2.4129 -0.9061 -0.9061 -0.9061 -0.9061 3.0758 3.0758 3.0758 3.0758 3.3474 3.3474 4.4842 4.4842 4.4842 4.4842 4.7551 4.7551 10.1834 10.1834 10.1834 10.1834 11.8741 11.8741 13.2299 13.2299 k = 0.0078 0.0078 0.0078 ( 6328 PWs) bands (ev): -13.9278 -13.9278 -2.4134 -2.4134 -0.9071 -0.9071 -0.9066 -0.9066 3.0761 3.0761 3.0761 3.0761 3.3503 3.3503 4.4845 4.4845 4.4846 4.4846 4.7552 4.7552 10.1831 10.1831 10.1838 10.1838 11.8691 11.8691 13.2073 13.2073 k = 0.0156 0.0156 0.0156 ( 6310 PWs) bands (ev): -13.9274 -13.9274 -2.4148 -2.4148 -0.9101 -0.9101 -0.9081 -0.9081 3.0769 3.0769 3.0770 3.0770 3.3589 3.3589 4.4851 4.4851 4.4857 4.4857 4.7554 4.7554 10.1824 10.1824 10.1851 10.1851 11.8539 11.8539 13.1452 13.1452 k = 0.0234 0.0234 0.0234 ( 6316 PWs) bands (ev): -13.9268 -13.9268 -2.4171 -2.4171 -0.9150 -0.9150 -0.9106 -0.9106 3.0782 3.0782 3.0783 3.0783 3.3731 3.3731 4.4862 4.4862 4.4876 4.4876 4.7557 4.7557 10.1812 10.1812 10.1872 10.1872 11.8279 11.8279 13.0560 13.0560 k = 0.0312 0.0312 0.0312 ( 6319 PWs) bands (ev): -13.9259 -13.9259 -2.4202 -2.4202 -0.9217 -0.9217 -0.9140 -0.9140 3.0800 3.0800 3.0801 3.0801 3.3929 3.3929 4.4877 4.4877 4.4902 4.4902 4.7562 4.7562 10.1795 10.1795 10.1903 10.1903 11.7905 11.7905 12.9524 12.9524 k = 0.0391 0.0391 0.0391 ( 6307 PWs) bands (ev): -13.9248 -13.9248 -2.4243 -2.4243 -0.9302 -0.9302 -0.9184 -0.9184 3.0823 3.0823 3.0823 3.0823 3.4182 3.4182 4.4896 4.4896 4.4935 4.4935 4.7568 4.7568 10.1773 10.1773 10.1942 10.1942 11.7407 11.7407 12.8440 12.8440 k = 0.0469 0.0469 0.0469 ( 6307 PWs) bands (ev): -13.9235 -13.9235 -2.4292 -2.4292 -0.9403 -0.9403 -0.9238 -0.9238 3.0848 3.0848 3.0850 3.0850 3.4486 3.4486 4.4919 4.4919 4.4975 4.4975 4.7575 4.7575 10.1747 10.1747 10.1991 10.1991 11.6782 11.6782 12.7374 12.7374 k = 0.0547 0.0547 0.0547 ( 6313 PWs) bands (ev): -13.9219 -13.9219 -2.4348 -2.4348 -0.9519 -0.9519 -0.9300 -0.9300 3.0876 3.0876 3.0883 3.0883 3.4840 3.4840 4.4946 4.4946 4.5021 4.5021 4.7584 4.7584 10.1715 10.1715 10.2050 10.2050 11.6032 11.6032 12.6363 12.6363 k = 0.0625 0.0625 0.0625 ( 6307 PWs) bands (ev): -13.9200 -13.9200 -2.4413 -2.4413 -0.9649 -0.9649 -0.9372 -0.9372 3.0905 3.0905 3.0919 3.0919 3.5240 3.5240 4.4976 4.4976 4.5073 4.5073 4.7593 4.7593 10.1678 10.1678 10.2119 10.2119 11.5168 11.5168 12.5426 12.5426 k = 0.0703 0.0703 0.0703 ( 6298 PWs) bands (ev): -13.9180 -13.9180 -2.4484 -2.4484 -0.9791 -0.9791 -0.9452 -0.9452 3.0937 3.0937 3.0959 3.0959 3.5682 3.5682 4.5011 4.5011 4.5131 4.5131 4.7604 4.7604 10.1634 10.1634 10.2198 10.2198 11.4210 11.4210 12.4562 12.4562 k = 0.0781 0.0781 0.0781 ( 6289 PWs) bands (ev): -13.9157 -13.9157 -2.4563 -2.4563 -0.9942 -0.9942 -0.9540 -0.9540 3.0969 3.0969 3.1003 3.1003 3.6162 3.6162 4.5049 4.5049 4.5195 4.5195 4.7616 4.7616 10.1582 10.1582 10.2287 10.2287 11.3186 11.3186 12.3762 12.3762 k = 0.0859 0.0859 0.0859 ( 6301 PWs) bands (ev): -13.9132 -13.9132 -2.4647 -2.4647 -1.0103 -1.0103 -0.9636 -0.9636 3.1002 3.1002 3.1051 3.1051 3.6675 3.6675 4.5090 4.5090 4.5263 4.5263 4.7629 4.7629 10.1518 10.1518 10.2385 10.2385 11.2125 11.2125 12.3015 12.3015 k = 0.0938 0.0937 0.0937 ( 6298 PWs) bands (ev): -13.9106 -13.9106 -2.4737 -2.4737 -1.0270 -1.0270 -0.9739 -0.9739 3.1036 3.1036 3.1101 3.1101 3.7218 3.7218 4.5134 4.5134 4.5335 4.5335 4.7643 4.7643 10.1441 10.1441 10.2493 10.2493 11.1055 11.1055 12.2307 12.2307 k = 0.1016 0.1016 0.1016 ( 6289 PWs) bands (ev): -13.9077 -13.9077 -2.4832 -2.4832 -1.0442 -1.0442 -0.9850 -0.9850 3.1069 3.1069 3.1154 3.1154 3.7784 3.7784 4.5181 4.5181 4.5411 4.5411 4.7657 4.7657 10.1345 10.1345 10.2608 10.2608 11.0003 11.0003 12.1629 12.1629 k = 0.1094 0.1094 0.1094 ( 6289 PWs) bands (ev): -13.9046 -13.9046 -2.4931 -2.4931 -1.0618 -1.0618 -0.9966 -0.9966 3.1103 3.1103 3.1210 3.1210 3.8369 3.8369 4.5231 4.5231 4.5490 4.5490 4.7671 4.7671 10.1225 10.1225 10.2729 10.2729 10.8993 10.8993 12.0977 12.0977 k = 0.1172 0.1172 0.1172 ( 6289 PWs) bands (ev): -13.9013 -13.9013 -2.5034 -2.5034 -1.0797 -1.0797 -1.0089 -1.0089 3.1136 3.1136 3.1268 3.1268 3.8968 3.8968 4.5283 4.5283 4.5572 4.5572 4.7685 4.7685 10.1075 10.1075 10.2853 10.2853 10.8043 10.8043 12.0349 12.0349 k = 0.1250 0.1250 0.1250 ( 6304 PWs) bands (ev): -13.8979 -13.8979 -2.5141 -2.5141 -1.0977 -1.0977 -1.0218 -1.0218 3.1168 3.1168 3.1327 3.1327 3.9576 3.9576 4.5338 4.5338 4.5656 4.5656 4.7699 4.7699 10.0888 10.0888 10.2976 10.2976 10.7169 10.7169 11.9747 11.9747 k = 0.1328 0.1328 0.1328 ( 6310 PWs) bands (ev): -13.8943 -13.8943 -2.5250 -2.5250 -1.1156 -1.1156 -1.0352 -1.0352 3.1198 3.1198 3.1388 3.1388 4.0187 4.0187 4.5395 4.5395 4.5742 4.5742 4.7711 4.7711 10.0661 10.0661 10.3093 10.3093 10.6383 10.6383 11.9178 11.9178 k = 0.1406 0.1406 0.1406 ( 6310 PWs) bands (ev): -13.8906 -13.8906 -2.5361 -2.5361 -1.1335 -1.1335 -1.0490 -1.0490 3.1228 3.1228 3.1451 3.1451 4.0796 4.0796 4.5455 4.5455 4.5828 4.5828 4.7722 4.7722 10.0390 10.0390 10.3197 10.3197 10.5690 10.5690 11.8649 11.8649 k = 0.1484 0.1484 0.1484 ( 6310 PWs) bands (ev): -13.8867 -13.8867 -2.5474 -2.5474 -1.1511 -1.1511 -1.0633 -1.0633 3.1256 3.1256 3.1514 3.1514 4.1399 4.1399 4.5516 4.5516 4.5916 4.5916 4.7731 4.7731 10.0078 10.0078 10.3281 10.3281 10.5089 10.5089 11.8171 11.8171 k = 0.1562 0.1562 0.1562 ( 6310 PWs) bands (ev): -13.8826 -13.8826 -2.5588 -2.5588 -1.1684 -1.1684 -1.0779 -1.0779 3.1281 3.1281 3.1578 3.1578 4.1990 4.1990 4.5579 4.5579 4.6004 4.6004 4.7738 4.7738 9.9734 9.9734 10.3335 10.3335 10.4572 10.4572 11.7752 11.7752 k = 0.1641 0.1641 0.1641 ( 6298 PWs) bands (ev): -13.8785 -13.8785 -2.5703 -2.5703 -1.1854 -1.1854 -1.0929 -1.0929 3.1305 3.1305 3.1643 3.1643 4.2566 4.2566 4.5644 4.5644 4.6092 4.6092 4.7744 4.7744 9.9366 9.9366 10.3346 10.3346 10.4128 10.4128 11.7403 11.7404 k = 0.1719 0.1719 0.1719 ( 6298 PWs) bands (ev): -13.8742 -13.8742 -2.5818 -2.5818 -1.2020 -1.2020 -1.1082 -1.1082 3.1327 3.1327 3.1708 3.1708 4.3121 4.3121 4.5711 4.5711 4.6181 4.6181 4.7748 4.7748 9.8982 9.8982 10.3301 10.3301 10.3748 10.3748 11.7134 11.7134 k = 0.1797 0.1797 0.1797 ( 6304 PWs) bands (ev): -13.8699 -13.8699 -2.5933 -2.5933 -1.2181 -1.2181 -1.1237 -1.1237 3.1346 3.1346 3.1774 3.1774 4.3650 4.3650 4.5780 4.5780 4.6270 4.6270 4.7753 4.7753 9.8586 9.8586 10.3189 10.3189 10.3425 10.3425 11.6952 11.6952 k = 0.1875 0.1875 0.1875 ( 6301 PWs) bands (ev): -13.8654 -13.8654 -2.6048 -2.6048 -1.2337 -1.2337 -1.1394 -1.1394 3.1363 3.1363 3.1840 3.1840 4.4148 4.4148 4.5851 4.5851 4.6361 4.6361 4.7760 4.7760 9.8175 9.8175 10.2996 10.2996 10.3163 10.3163 11.6861 11.6861 k = 0.1953 0.1953 0.1953 ( 6301 PWs) bands (ev): -13.8609 -13.8609 -2.6162 -2.6162 -1.2488 -1.2488 -1.1552 -1.1552 3.1378 3.1378 3.1905 3.1905 4.4607 4.4607 4.5923 4.5923 4.6454 4.6454 4.7775 4.7775 9.7740 9.7740 10.2714 10.2714 10.2970 10.2970 11.6865 11.6865 k = 0.2031 0.2031 0.2031 ( 6307 PWs) bands (ev): -13.8563 -13.8563 -2.6275 -2.6275 -1.2633 -1.2633 -1.1712 -1.1712 3.1391 3.1391 3.1971 3.1971 4.5017 4.5017 4.5997 4.5997 4.6552 4.6552 4.7805 4.7805 9.7271 9.7271 10.2339 10.2339 10.2857 10.2857 11.6962 11.6962 k = 0.2109 0.2109 0.2109 ( 6307 PWs) bands (ev): -13.8517 -13.8517 -2.6387 -2.6387 -1.2773 -1.2773 -1.1872 -1.1872 3.1402 3.1402 3.2036 3.2036 4.5366 4.5366 4.6073 4.6073 4.6657 4.6657 4.7859 4.7859 9.6755 9.6755 10.1871 10.1871 10.2837 10.2837 11.7150 11.7150 k = 0.2188 0.2187 0.2187 ( 6298 PWs) bands (ev): -13.8470 -13.8470 -2.6498 -2.6498 -1.2908 -1.2908 -1.2032 -1.2032 3.1412 3.1412 3.2101 3.2101 4.5642 4.5642 4.6151 4.6151 4.6769 4.6769 4.7952 4.7952 9.6187 9.6187 10.1317 10.1317 10.2914 10.2914 11.7427 11.7427 k = 0.2266 0.2266 0.2266 ( 6298 PWs) bands (ev): -13.8423 -13.8423 -2.6608 -2.6608 -1.3037 -1.3037 -1.2193 -1.2193 3.1421 3.1421 3.2166 3.2166 4.5838 4.5838 4.6231 4.6231 4.6883 4.6883 4.8097 4.8097 9.5565 9.5565 10.0685 10.0685 10.3089 10.3089 11.7786 11.7786 k = 0.2344 0.2344 0.2344 ( 6298 PWs) bands (ev): -13.8375 -13.8375 -2.6715 -2.6715 -1.3161 -1.3161 -1.2353 -1.2353 3.1429 3.1429 3.2231 3.2231 4.5962 4.5962 4.6313 4.6313 4.6991 4.6991 4.8298 4.8298 9.4892 9.4892 9.9987 9.9987 10.3355 10.3355 11.8223 11.8223 k = 0.2422 0.2422 0.2422 ( 6298 PWs) bands (ev): -13.8328 -13.8328 -2.6822 -2.6822 -1.3281 -1.3281 -1.2512 -1.2512 3.1438 3.1438 3.2295 3.2295 4.6027 4.6027 4.6397 4.6397 4.7087 4.7087 4.8548 4.8548 9.4175 9.4175 9.9235 9.9235 10.3697 10.3697 11.8732 11.8732 k = 0.2500 0.2500 0.2500 ( 6331 PWs) bands (ev): -13.8280 -13.8280 -2.6926 -2.6926 -1.3396 -1.3396 -1.2670 -1.2670 3.1448 3.1448 3.2359 3.2359 4.6052 4.6052 4.6484 4.6484 4.7173 4.7173 4.8834 4.8834 9.3421 9.3421 9.8439 9.8439 10.4099 10.4099 11.9309 11.9309 k = 0.2578 0.2578 0.2578 ( 6307 PWs) bands (ev): -13.8233 -13.8233 -2.7029 -2.7029 -1.3506 -1.3506 -1.2826 -1.2826 3.1459 3.1459 3.2422 3.2422 4.6050 4.6050 4.6573 4.6573 4.7253 4.7253 4.9143 4.9143 9.2638 9.2638 9.7611 9.7611 10.4539 10.4539 11.9948 11.9948 k = 0.2656 0.2656 0.2656 ( 6310 PWs) bands (ev): -13.8186 -13.8186 -2.7131 -2.7131 -1.3612 -1.3612 -1.2981 -1.2981 3.1473 3.1473 3.2485 3.2485 4.6030 4.6030 4.6665 4.6665 4.7330 4.7330 4.9465 4.9465 9.1833 9.1833 9.6759 9.6759 10.4989 10.4989 12.0645 12.0645 k = 0.2734 0.2734 0.2734 ( 6304 PWs) bands (ev): -13.8139 -13.8139 -2.7230 -2.7230 -1.3715 -1.3715 -1.3133 -1.3133 3.1490 3.1490 3.2547 3.2547 4.6001 4.6001 4.6759 4.6759 4.7405 4.7405 4.9793 4.9793 9.1013 9.1013 9.5890 9.5890 10.5419 10.5419 12.1396 12.1396 k = 0.2812 0.2812 0.2812 ( 6310 PWs) bands (ev): -13.8092 -13.8092 -2.7328 -2.7328 -1.3815 -1.3815 -1.3283 -1.3283 3.1512 3.1512 3.2609 3.2609 4.5970 4.5970 4.6856 4.6856 4.7481 4.7481 5.0126 5.0126 9.0183 9.0183 9.5011 9.5011 10.5794 10.5794 12.2196 12.2196 k = 0.2891 0.2891 0.2891 ( 6310 PWs) bands (ev): -13.8046 -13.8046 -2.7424 -2.7424 -1.3912 -1.3912 -1.3431 -1.3431 3.1539 3.1539 3.2670 3.2670 4.5941 4.5941 4.6956 4.6956 4.7556 4.7556 5.0462 5.0462 8.9348 8.9348 9.4128 9.4128 10.6072 10.6072 12.3043 12.3043 k = 0.2969 0.2969 0.2969 ( 6310 PWs) bands (ev): -13.8001 -13.8001 -2.7518 -2.7518 -1.4007 -1.4007 -1.3575 -1.3575 3.1572 3.1572 3.2731 3.2731 4.5918 4.5918 4.7059 4.7059 4.7632 4.7632 5.0801 5.0801 8.8513 8.8513 9.3246 9.3246 10.6212 10.6212 12.3931 12.3931 k = 0.3047 0.3047 0.3047 ( 6310 PWs) bands (ev): -13.7956 -13.7956 -2.7610 -2.7610 -1.4099 -1.4099 -1.3716 -1.3716 3.1613 3.1613 3.2790 3.2790 4.5904 4.5904 4.7164 4.7164 4.7708 4.7708 5.1142 5.1142 8.7682 8.7682 9.2369 9.2369 10.6173 10.6173 12.4857 12.4857 k = 0.3125 0.3125 0.3125 ( 6307 PWs) bands (ev): -13.7913 -13.7913 -2.7701 -2.7701 -1.4190 -1.4190 -1.3853 -1.3853 3.1660 3.1660 3.2849 3.2849 4.5901 4.5901 4.7272 4.7272 4.7784 4.7784 5.1488 5.1488 8.6857 8.6857 9.1500 9.1500 10.5924 10.5924 12.5818 12.5818 k = 0.3203 0.3203 0.3203 ( 6301 PWs) bands (ev): -13.7870 -13.7870 -2.7789 -2.7789 -1.4279 -1.4279 -1.3987 -1.3987 3.1717 3.1717 3.2908 3.2908 4.5911 4.5911 4.7383 4.7383 4.7861 4.7861 5.1839 5.1839 8.6043 8.6043 9.0643 9.0643 10.5446 10.5446 12.6809 12.6809 k = 0.3281 0.3281 0.3281 ( 6292 PWs) bands (ev): -13.7828 -13.7828 -2.7876 -2.7876 -1.4367 -1.4367 -1.4117 -1.4117 3.1781 3.1781 3.2965 3.2965 4.5934 4.5934 4.7496 4.7496 4.7939 4.7939 5.2196 5.2196 8.5242 8.5242 8.9801 8.9801 10.4739 10.4739 12.7828 12.7828 k = 0.3359 0.3359 0.3359 ( 6292 PWs) bands (ev): -13.7787 -13.7787 -2.7960 -2.7960 -1.4453 -1.4453 -1.4243 -1.4243 3.1855 3.1855 3.3021 3.3021 4.5970 4.5970 4.7611 4.7611 4.8017 4.8017 5.2563 5.2563 8.4457 8.4457 8.8975 8.8975 10.3820 10.3820 12.8874 12.8874 k = 0.3438 0.3437 0.3437 ( 6286 PWs) bands (ev): -13.7748 -13.7748 -2.8042 -2.8042 -1.4538 -1.4538 -1.4364 -1.4364 3.1936 3.1936 3.3076 3.3076 4.6020 4.6020 4.7728 4.7728 4.8095 4.8095 5.2940 5.2940 8.3688 8.3688 8.8170 8.8170 10.2718 10.2718 12.9947 12.9947 k = 0.3516 0.3516 0.3516 ( 6286 PWs) bands (ev): -13.7709 -13.7709 -2.8121 -2.8121 -1.4623 -1.4623 -1.4481 -1.4481 3.2027 3.2027 3.3130 3.3130 4.6083 4.6083 4.7847 4.7847 4.8175 4.8175 5.3329 5.3329 8.2940 8.2940 8.7386 8.7386 10.1464 10.1464 13.1049 13.1049 k = 0.3594 0.3594 0.3594 ( 6286 PWs) bands (ev): -13.7673 -13.7673 -2.8198 -2.8198 -1.4705 -1.4705 -1.4592 -1.4592 3.2125 3.2125 3.3182 3.3182 4.6157 4.6157 4.7967 4.7967 4.8256 4.8256 5.3734 5.3734 8.2213 8.2213 8.6626 8.6626 10.0093 10.0093 13.2183 13.2183 k = 0.3672 0.3672 0.3672 ( 6274 PWs) bands (ev): -13.7637 -13.7637 -2.8272 -2.8272 -1.4787 -1.4787 -1.4699 -1.4699 3.2230 3.2230 3.3232 3.3232 4.6241 4.6241 4.8087 4.8087 4.8337 4.8337 5.4155 5.4155 8.1509 8.1509 8.5892 8.5892 9.8635 9.8635 13.3348 13.3348 k = 0.3750 0.3750 0.3750 ( 6286 PWs) bands (ev): -13.7603 -13.7603 -2.8344 -2.8344 -1.4867 -1.4867 -1.4801 -1.4801 3.2341 3.2341 3.3281 3.3281 4.6333 4.6333 4.8208 4.8208 4.8420 4.8420 5.4596 5.4596 8.0830 8.0830 8.5187 8.5187 9.7118 9.7118 13.4542 13.4542 k = 0.3828 0.3828 0.3828 ( 6286 PWs) bands (ev): -13.7571 -13.7571 -2.8412 -2.8412 -1.4945 -1.4945 -1.4897 -1.4897 3.2456 3.2456 3.3328 3.3328 4.6430 4.6430 4.8328 4.8328 4.8505 4.8505 5.5058 5.5058 8.0176 8.0176 8.4511 8.4511 9.5563 9.5563 13.5763 13.5763 k = 0.3906 0.3906 0.3906 ( 6287 PWs) bands (ev): -13.7540 -13.7540 -2.8477 -2.8477 -1.5020 -1.5020 -1.4988 -1.4988 3.2575 3.2575 3.3373 3.3373 4.6532 4.6532 4.8446 4.8446 4.8591 4.8591 5.5544 5.5544 7.9550 7.9550 8.3868 8.3868 9.3990 9.3990 13.7006 13.7006 k = 0.3984 0.3984 0.3984 ( 6272 PWs) bands (ev): -13.7512 -13.7512 -2.8539 -2.8539 -1.5094 -1.5094 -1.5073 -1.5073 3.2696 3.2696 3.3416 3.3416 4.6634 4.6634 4.8563 4.8563 4.8677 4.8677 5.6055 5.6055 7.8952 7.8952 8.3258 8.3258 9.2417 9.2417 13.8268 13.8268 k = 0.4062 0.4062 0.4062 ( 6266 PWs) bands (ev): -13.7485 -13.7485 -2.8597 -2.8597 -1.5164 -1.5164 -1.5152 -1.5152 3.2817 3.2817 3.3456 3.3456 4.6735 4.6735 4.8676 4.8676 4.8765 4.8765 5.6591 5.6591 7.8382 7.8382 8.2684 8.2684 9.0858 9.0858 13.9545 13.9545 k = 0.4141 0.4141 0.4141 ( 6254 PWs) bands (ev): -13.7460 -13.7460 -2.8652 -2.8652 -1.5230 -1.5230 -1.5226 -1.5226 3.2936 3.2936 3.3493 3.3493 4.6832 4.6832 4.8786 4.8786 4.8852 4.8852 5.7154 5.7154 7.7840 7.7840 8.2147 8.2147 8.9328 8.9328 14.0833 14.0833 k = 0.4219 0.4219 0.4219 ( 6266 PWs) bands (ev): -13.7437 -13.7437 -2.8702 -2.8702 -1.5294 -1.5294 -1.5293 -1.5293 3.3052 3.3052 3.3528 3.3528 4.6925 4.6925 4.8891 4.8891 4.8939 4.8939 5.7741 5.7741 7.7327 7.7327 8.1650 8.1650 8.7840 8.7840 14.2129 14.2129 k = 0.4297 0.4297 0.4297 ( 6272 PWs) bands (ev): -13.7416 -13.7416 -2.8748 -2.8748 -1.5355 -1.5355 -1.5352 -1.5352 3.3163 3.3163 3.3561 3.3561 4.7010 4.7010 4.8990 4.8990 4.9023 4.9023 5.8350 5.8350 7.6840 7.6840 8.1194 8.1194 8.6409 8.6409 14.3428 14.3428 k = 0.4375 0.4375 0.4375 ( 6266 PWs) bands (ev): -13.7397 -13.7397 -2.8790 -2.8790 -1.5410 -1.5410 -1.5406 -1.5406 3.3267 3.3267 3.3590 3.3590 4.7088 4.7088 4.9082 4.9082 4.9104 4.9104 5.8976 5.8976 7.6378 7.6378 8.0780 8.0780 8.5051 8.5051 14.4726 14.4726 k = 0.4453 0.4453 0.4453 ( 6257 PWs) bands (ev): -13.7380 -13.7380 -2.8828 -2.8828 -1.5459 -1.5459 -1.5454 -1.5454 3.3363 3.3363 3.3616 3.3616 4.7157 4.7157 4.9167 4.9167 4.9180 4.9180 5.9611 5.9611 7.5938 7.5938 8.0411 8.0411 8.3785 8.3785 14.6014 14.6014 k = 0.4531 0.4531 0.4531 ( 6239 PWs) bands (ev): -13.7365 -13.7365 -2.8860 -2.8860 -1.5502 -1.5502 -1.5497 -1.5497 3.3449 3.3449 3.3639 3.3639 4.7217 4.7217 4.9242 4.9242 4.9250 4.9250 6.0245 6.0245 7.5518 7.5518 8.0088 8.0088 8.2631 8.2631 14.7283 14.7283 k = 0.4609 0.4609 0.4609 ( 6233 PWs) bands (ev): -13.7353 -13.7353 -2.8888 -2.8888 -1.5538 -1.5538 -1.5534 -1.5534 3.3524 3.3524 3.3658 3.3658 4.7268 4.7268 4.9308 4.9308 4.9312 4.9312 6.0860 6.0860 7.5117 7.5117 7.9812 7.9812 8.1611 8.1611 14.8516 14.8516 k = 0.4688 0.4687 0.4687 ( 6239 PWs) bands (ev): -13.7342 -13.7342 -2.8911 -2.8911 -1.5568 -1.5568 -1.5565 -1.5565 3.3587 3.3587 3.3674 3.3674 4.7309 4.7309 4.9362 4.9362 4.9365 4.9365 6.1435 6.1435 7.4740 7.4740 7.9584 7.9584 8.0749 8.0749 14.9690 14.9690 k = 0.4766 0.4766 0.4766 ( 6245 PWs) bands (ev): -13.7334 -13.7334 -2.8930 -2.8930 -1.5591 -1.5591 -1.5589 -1.5589 3.3637 3.3637 3.3687 3.3687 4.7341 4.7341 4.9406 4.9406 4.9407 4.9407 6.1940 6.1940 7.4399 7.4399 7.9406 7.9406 8.0064 8.0064 15.0761 15.0761 k = 0.4844 0.4844 0.4844 ( 6245 PWs) bands (ev): -13.7329 -13.7329 -2.8942 -2.8942 -1.5607 -1.5607 -1.5606 -1.5606 3.3674 3.3674 3.3696 3.3696 4.7364 4.7364 4.9437 4.9437 4.9438 4.9438 6.2341 6.2341 7.4117 7.4117 7.9278 7.9278 7.9571 7.9571 15.1659 15.1659 k = 0.4922 0.4922 0.4922 ( 6272 PWs) bands (ev): -13.7325 -13.7325 -2.8950 -2.8950 -1.5617 -1.5617 -1.5617 -1.5617 3.3696 3.3696 3.3701 3.3701 4.7378 4.7378 4.9457 4.9457 4.9457 4.9457 6.2601 6.2601 7.3928 7.3928 7.9201 7.9201 7.9274 7.9274 15.2278 15.2278 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -13.7324 -13.7324 -2.8953 -2.8953 -1.5620 -1.5620 -1.5620 -1.5620 3.3703 3.3703 3.3703 3.3703 4.7382 4.7382 4.9463 4.9463 4.9463 4.9463 6.2692 6.2692 7.3861 7.3861 7.9176 7.9176 7.9176 7.9176 15.2502 15.2502 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -13.7324 -13.7324 -2.8953 -2.8953 -1.5620 -1.5620 -1.5620 -1.5620 3.3703 3.3703 3.3703 3.3703 4.7382 4.7382 4.9463 4.9463 4.9463 4.9463 6.2692 6.2692 7.3861 7.3861 7.9176 7.9176 7.9176 7.9176 15.2502 15.2502 k = 0.4906 0.5000 0.4906 ( 6272 PWs) bands (ev): -13.7325 -13.7325 -2.8950 -2.8950 -1.5620 -1.5620 -1.5615 -1.5615 3.3696 3.3696 3.3701 3.3701 4.7378 4.7378 4.9455 4.9455 4.9459 4.9459 6.2604 6.2604 7.3927 7.3927 7.9201 7.9201 7.9271 7.9271 15.2280 15.2280 k = 0.4811 0.5000 0.4811 ( 6260 PWs) bands (ev): -13.7328 -13.7328 -2.8943 -2.8943 -1.5617 -1.5617 -1.5598 -1.5598 3.3675 3.3675 3.3695 3.3695 4.7365 4.7365 4.9430 4.9430 4.9446 4.9446 6.2351 6.2351 7.4111 7.4111 7.9278 7.9278 7.9557 7.9557 15.1641 15.1641 k = 0.4717 0.5000 0.4717 ( 6242 PWs) bands (ev): -13.7334 -13.7334 -2.8930 -2.8930 -1.5612 -1.5612 -1.5569 -1.5569 3.3641 3.3641 3.3685 3.3685 4.7343 4.7343 4.9390 4.9390 4.9425 4.9425 6.1959 6.1959 7.4388 7.4388 7.9405 7.9405 8.0033 8.0033 15.0661 15.0661 k = 0.4623 0.5000 0.4623 ( 6230 PWs) bands (ev): -13.7342 -13.7342 -2.8913 -2.8913 -1.5606 -1.5606 -1.5529 -1.5529 3.3594 3.3594 3.3671 3.3671 4.7312 4.7312 4.9334 4.9334 4.9397 4.9397 6.1464 6.1464 7.4727 7.4727 7.9581 7.9581 8.0694 8.0694 14.9451 14.9451 k = 0.4528 0.5000 0.4528 ( 6222 PWs) bands (ev): -13.7352 -13.7352 -2.8891 -2.8891 -1.5598 -1.5598 -1.5478 -1.5478 3.3534 3.3534 3.3654 3.3654 4.7272 4.7272 4.9263 4.9263 4.9361 4.9361 6.0899 6.0899 7.5104 7.5104 7.9806 7.9806 8.1528 8.1528 14.8103 14.8103 k = 0.4434 0.5000 0.4434 ( 6236 PWs) bands (ev): -13.7364 -13.7364 -2.8864 -2.8864 -1.5588 -1.5588 -1.5416 -1.5416 3.3462 3.3462 3.3632 3.3632 4.7223 4.7223 4.9177 4.9177 4.9319 4.9319 6.0293 6.0293 7.5506 7.5506 8.0077 8.0077 8.2518 8.2518 14.6678 14.6678 k = 0.4340 0.5000 0.4340 ( 6252 PWs) bands (ev): -13.7378 -13.7378 -2.8833 -2.8833 -1.5577 -1.5577 -1.5343 -1.5343 3.3380 3.3380 3.3608 3.3608 4.7166 4.7166 4.9077 4.9077 4.9270 4.9270 5.9670 5.9670 7.5926 7.5926 8.0392 8.0392 8.3643 8.3643 14.5213 14.5213 k = 0.4245 0.5000 0.4245 ( 6258 PWs) bands (ev): -13.7394 -13.7394 -2.8797 -2.8797 -1.5564 -1.5564 -1.5260 -1.5260 3.3287 3.3287 3.3579 3.3579 4.7099 4.7099 4.8965 4.8965 4.9216 4.9216 5.9047 5.9047 7.6365 7.6365 8.0750 8.0750 8.4886 8.4886 14.3729 14.3729 k = 0.4151 0.5000 0.4151 ( 6258 PWs) bands (ev): -13.7412 -13.7412 -2.8758 -2.8758 -1.5550 -1.5550 -1.5166 -1.5166 3.3186 3.3186 3.3548 3.3548 4.7025 4.7025 4.8840 4.8840 4.9158 4.9158 5.8438 5.8438 7.6822 7.6822 8.1147 8.1147 8.6229 8.6229 14.2237 14.2237 k = 0.4057 0.5000 0.4057 ( 6254 PWs) bands (ev): -13.7432 -13.7432 -2.8715 -2.8715 -1.5535 -1.5535 -1.5061 -1.5061 3.3077 3.3077 3.3514 3.3514 4.6941 4.6941 4.8704 4.8704 4.9095 4.9095 5.7851 5.7851 7.7298 7.7298 8.1579 8.1579 8.7657 8.7657 14.0748 14.0748 k = 0.3962 0.5000 0.3962 ( 6250 PWs) bands (ev): -13.7454 -13.7454 -2.8670 -2.8670 -1.5519 -1.5519 -1.4947 -1.4947 3.2962 3.2962 3.3477 3.3477 4.6850 4.6850 4.8559 4.8559 4.9029 4.9029 5.7295 5.7295 7.7794 7.7794 8.2044 8.2044 8.9160 8.9160 13.9264 13.9264 k = 0.3868 0.5000 0.3868 ( 6262 PWs) bands (ev): -13.7478 -13.7478 -2.8621 -2.8621 -1.5502 -1.5502 -1.4823 -1.4823 3.2842 3.2842 3.3437 3.3437 4.6750 4.6750 4.8405 4.8405 4.8961 4.8961 5.6774 5.6774 7.8310 7.8310 8.2537 8.2537 9.0726 9.0726 13.7792 13.7792 k = 0.3774 0.5000 0.3774 ( 6266 PWs) bands (ev): -13.7503 -13.7503 -2.8570 -2.8570 -1.5484 -1.5484 -1.4690 -1.4690 3.2719 3.2719 3.3396 3.3396 4.6644 4.6644 4.8245 4.8245 4.8891 4.8891 5.6292 5.6292 7.8844 7.8844 8.3053 8.3053 9.2349 9.2349 13.6334 13.6334 k = 0.3679 0.5000 0.3679 ( 6286 PWs) bands (ev): -13.7530 -13.7530 -2.8516 -2.8516 -1.5465 -1.5465 -1.4548 -1.4548 3.2594 3.2594 3.3352 3.3352 4.6530 4.6530 4.8081 4.8081 4.8819 4.8819 5.5850 5.5850 7.9395 7.9395 8.3588 8.3588 9.4022 9.4022 13.4891 13.4891 k = 0.3585 0.5000 0.3585 ( 6290 PWs) bands (ev): -13.7559 -13.7559 -2.8462 -2.8462 -1.5445 -1.5445 -1.4398 -1.4398 3.2467 3.2467 3.3307 3.3307 4.6411 4.6411 4.7914 4.7914 4.8747 4.8747 5.5449 5.5449 7.9961 7.9961 8.4137 8.4137 9.5739 9.5739 13.3467 13.3467 k = 0.3491 0.5000 0.3491 ( 6274 PWs) bands (ev): -13.7589 -13.7589 -2.8406 -2.8406 -1.5425 -1.5425 -1.4240 -1.4240 3.2342 3.2342 3.3260 3.3260 4.6288 4.6288 4.7747 4.7747 4.8674 4.8674 5.5089 5.5089 8.0537 8.0537 8.4695 8.4695 9.7494 9.7494 13.2060 13.2060 k = 0.3396 0.5000 0.3396 ( 6274 PWs) bands (ev): -13.7620 -13.7620 -2.8349 -2.8349 -1.5404 -1.5404 -1.4074 -1.4074 3.2218 3.2218 3.3213 3.3213 4.6161 4.6161 4.7583 4.7583 4.8601 4.8601 5.4769 5.4769 8.1120 8.1120 8.5256 8.5256 9.9282 9.9282 13.0673 13.0673 k = 0.3302 0.5000 0.3302 ( 6288 PWs) bands (ev): -13.7652 -13.7652 -2.8293 -2.8293 -1.5382 -1.5382 -1.3901 -1.3901 3.2098 3.2098 3.3165 3.3165 4.6033 4.6033 4.7422 4.7422 4.8529 4.8529 5.4487 5.4487 8.1704 8.1704 8.5816 8.5816 10.1097 10.1097 12.9304 12.9304 k = 0.3208 0.5000 0.3208 ( 6280 PWs) bands (ev): -13.7685 -13.7685 -2.8236 -2.8236 -1.5360 -1.5360 -1.3721 -1.3721 3.1982 3.1982 3.3116 3.3116 4.5906 4.5906 4.7266 4.7266 4.8457 4.8457 5.4240 5.4240 8.2282 8.2282 8.6371 8.6371 10.2935 10.2935 12.7953 12.7953 k = 0.3113 0.5000 0.3113 ( 6284 PWs) bands (ev): -13.7719 -13.7719 -2.8181 -2.8181 -1.5337 -1.5337 -1.3536 -1.3536 3.1872 3.1872 3.3068 3.3068 4.5782 4.5782 4.7118 4.7118 4.8386 4.8386 5.4027 5.4027 8.2844 8.2844 8.6920 8.6920 10.4786 10.4786 12.6622 12.6622 k = 0.3019 0.5000 0.3019 ( 6276 PWs) bands (ev): -13.7754 -13.7754 -2.8127 -2.8127 -1.5314 -1.5314 -1.3345 -1.3345 3.1769 3.1769 3.3020 3.3020 4.5663 4.5663 4.6977 4.6977 4.8317 4.8317 5.3845 5.3845 8.3379 8.3379 8.7463 8.7463 10.6644 10.6644 12.5310 12.5310 k = 0.2925 0.5000 0.2925 ( 6280 PWs) bands (ev): -13.7790 -13.7790 -2.8074 -2.8074 -1.5289 -1.5289 -1.3149 -1.3149 3.1673 3.1673 3.2973 3.2973 4.5553 4.5553 4.6844 4.6844 4.8249 4.8249 5.3692 5.3692 8.3870 8.3870 8.8003 8.8003 10.8498 10.8498 12.4019 12.4019 k = 0.2830 0.5000 0.2830 ( 6278 PWs) bands (ev): -13.7826 -13.7826 -2.8024 -2.8024 -1.5264 -1.5264 -1.2949 -1.2949 3.1585 3.1585 3.2927 3.2927 4.5452 4.5452 4.6720 4.6720 4.8183 4.8183 5.3565 5.3565 8.4301 8.4301 8.8549 8.8549 11.0332 11.0332 12.2751 12.2751 k = 0.2736 0.5000 0.2736 ( 6282 PWs) bands (ev): -13.7863 -13.7863 -2.7977 -2.7977 -1.5237 -1.5237 -1.2746 -1.2746 3.1505 3.1505 3.2882 3.2882 4.5364 4.5364 4.6604 4.6604 4.8118 4.8118 5.3462 5.3462 8.4652 8.4652 8.9108 8.9108 11.2126 11.2126 12.1507 12.1507 k = 0.2642 0.5000 0.2642 ( 6286 PWs) bands (ev): -13.7899 -13.7899 -2.7932 -2.7932 -1.5210 -1.5210 -1.2540 -1.2540 3.1435 3.1435 3.2839 3.2839 4.5290 4.5290 4.6497 4.6497 4.8056 4.8056 5.3382 5.3382 8.4906 8.4906 8.9691 8.9691 11.3850 11.3850 12.0293 12.0293 k = 0.2547 0.5000 0.2547 ( 6290 PWs) bands (ev): -13.7936 -13.7936 -2.7891 -2.7891 -1.5182 -1.5182 -1.2332 -1.2332 3.1374 3.1374 3.2797 3.2797 4.5230 4.5230 4.6400 4.6400 4.7997 4.7997 5.3323 5.3323 8.5049 8.5049 9.0304 9.0304 11.5458 11.5458 11.9117 11.9117 k = 0.2453 0.5000 0.2453 ( 6290 PWs) bands (ev): -13.7973 -13.7973 -2.7853 -2.7853 -1.5152 -1.5152 -1.2122 -1.2122 3.1323 3.1323 3.2758 3.2758 4.5188 4.5188 4.6310 4.6310 4.7940 4.7940 5.3284 5.3284 8.5075 8.5075 9.0950 9.0950 11.6813 11.6813 11.8063 11.8063 k = 0.2358 0.5000 0.2358 ( 6292 PWs) bands (ev): -13.8010 -13.8010 -2.7819 -2.7819 -1.5121 -1.5121 -1.1912 -1.1912 3.1281 3.1281 3.2722 3.2722 4.5161 4.5161 4.6230 4.6230 4.7886 4.7886 5.3262 5.3262 8.4984 8.4984 9.1629 9.1629 11.6648 11.6648 11.8327 11.8327 k = 0.2264 0.5000 0.2264 ( 6288 PWs) bands (ev): -13.8047 -13.8047 -2.7789 -2.7789 -1.5088 -1.5088 -1.1702 -1.1702 3.1247 3.1247 3.2688 3.2688 4.5152 4.5152 4.6158 4.6158 4.7835 4.7835 5.3259 5.3259 8.4781 8.4781 9.2337 9.2337 11.5603 11.5603 11.9193 11.9193 k = 0.2170 0.5000 0.2170 ( 6288 PWs) bands (ev): -13.8083 -13.8083 -2.7763 -2.7763 -1.5055 -1.5055 -1.1493 -1.1493 3.1223 3.1223 3.2658 3.2658 4.5158 4.5158 4.6096 4.6096 4.7788 4.7788 5.3271 5.3271 8.4475 8.4475 9.3068 9.3068 11.4544 11.4544 11.9733 11.9733 k = 0.2075 0.5000 0.2075 ( 6304 PWs) bands (ev): -13.8119 -13.8119 -2.7742 -2.7742 -1.5020 -1.5020 -1.1285 -1.1285 3.1206 3.1206 3.2631 3.2631 4.5180 4.5180 4.6042 4.6042 4.7744 4.7744 5.3300 5.3300 8.4077 8.4077 9.3818 9.3818 11.3508 11.3508 11.9893 11.9893 k = 0.1981 0.5000 0.1981 ( 6292 PWs) bands (ev): -13.8154 -13.8154 -2.7724 -2.7724 -1.4983 -1.4983 -1.1080 -1.1080 3.1197 3.1197 3.2608 3.2608 4.5216 4.5216 4.5998 4.5998 4.7704 4.7704 5.3343 5.3343 8.3600 8.3600 9.4581 9.4581 11.2505 11.2505 11.9707 11.9707 k = 0.1887 0.5000 0.1887 ( 6296 PWs) bands (ev): -13.8189 -13.8189 -2.7711 -2.7711 -1.4946 -1.4946 -1.0877 -1.0877 3.1194 3.1194 3.2589 3.2589 4.5263 4.5263 4.5964 4.5964 4.7668 4.7668 5.3401 5.3401 8.3055 8.3055 9.5351 9.5351 11.1537 11.1537 11.9246 11.9246 k = 0.1792 0.5000 0.1792 ( 6288 PWs) bands (ev): -13.8223 -13.8223 -2.7702 -2.7702 -1.4907 -1.4907 -1.0679 -1.0679 3.1196 3.1196 3.2574 3.2574 4.5320 4.5320 4.5941 4.5941 4.7636 4.7636 5.3473 5.3473 8.2456 8.2456 9.6125 9.6125 11.0605 11.0605 11.8591 11.8591 k = 0.1698 0.5000 0.1698 ( 6300 PWs) bands (ev): -13.8255 -13.8255 -2.7696 -2.7696 -1.4868 -1.4868 -1.0486 -1.0486 3.1203 3.1203 3.2565 3.2565 4.5382 4.5382 4.5931 4.5931 4.7609 4.7609 5.3558 5.3558 8.1815 8.1815 9.6896 9.6896 10.9711 10.9711 11.7806 11.7806 k = 0.1604 0.5000 0.1604 ( 6300 PWs) bands (ev): -13.8287 -13.8287 -2.7694 -2.7694 -1.4828 -1.4828 -1.0297 -1.0297 3.1213 3.1213 3.2560 3.2560 4.5444 4.5444 4.5937 4.5937 4.7588 4.7588 5.3654 5.3654 8.1143 8.1143 9.7662 9.7662 10.8857 10.8857 11.6943 11.6943 k = 0.1509 0.5000 0.1509 ( 6288 PWs) bands (ev): -13.8317 -13.8317 -2.7694 -2.7694 -1.4788 -1.4788 -1.0115 -1.0115 3.1226 3.1226 3.2560 3.2560 4.5501 4.5501 4.5961 4.5961 4.7572 4.7572 5.3763 5.3763 8.0450 8.0450 9.8416 9.8416 10.8044 10.8044 11.6038 11.6038 k = 0.1415 0.5000 0.1415 ( 6304 PWs) bands (ev): -13.8346 -13.8346 -2.7698 -2.7698 -1.4748 -1.4748 -0.9940 -0.9940 3.1240 3.1240 3.2566 3.2566 4.5547 4.5547 4.6005 4.6005 4.7562 4.7562 5.3881 5.3881 7.9747 7.9747 9.9153 9.9153 10.7274 10.7274 11.5119 11.5119 k = 0.1321 0.5000 0.1321 ( 6308 PWs) bands (ev): -13.8374 -13.8374 -2.7704 -2.7704 -1.4707 -1.4707 -0.9773 -0.9773 3.1254 3.1254 3.2577 3.2577 4.5583 4.5583 4.6068 4.6068 4.7559 4.7559 5.4009 5.4009 7.9044 7.9044 9.9870 9.9870 10.6546 10.6546 11.4205 11.4205 k = 0.1226 0.5000 0.1226 ( 6304 PWs) bands (ev): -13.8400 -13.8400 -2.7712 -2.7712 -1.4668 -1.4668 -0.9614 -0.9614 3.1267 3.1267 3.2593 3.2593 4.5610 4.5610 4.6144 4.6144 4.7564 4.7564 5.4144 5.4144 7.8348 7.8348 10.0559 10.0559 10.5863 10.5863 11.3314 11.3314 k = 0.1132 0.5000 0.1132 ( 6318 PWs) bands (ev): -13.8425 -13.8425 -2.7722 -2.7722 -1.4629 -1.4629 -0.9464 -0.9464 3.1280 3.1280 3.2613 3.2613 4.5630 4.5630 4.6226 4.6226 4.7577 4.7577 5.4284 5.4284 7.7668 7.7668 10.1214 10.1214 10.5226 10.5226 11.2460 11.2460 k = 0.1038 0.5000 0.1038 ( 6324 PWs) bands (ev): -13.8448 -13.8448 -2.7733 -2.7733 -1.4592 -1.4592 -0.9323 -0.9323 3.1291 3.1291 3.2636 3.2636 4.5647 4.5647 4.6310 4.6310 4.7599 4.7599 5.4428 5.4428 7.7011 7.7011 10.1827 10.1827 10.4636 10.4636 11.1656 11.1656 k = 0.0943 0.5000 0.0943 ( 6322 PWs) bands (ev): -13.8469 -13.8469 -2.7745 -2.7745 -1.4557 -1.4557 -0.9193 -0.9193 3.1301 3.1301 3.2663 3.2663 4.5662 4.5662 4.6389 4.6389 4.7629 4.7629 5.4573 5.4573 7.6384 7.6384 10.2391 10.2391 10.4094 10.4094 11.0913 11.0913 k = 0.0849 0.5000 0.0849 ( 6316 PWs) bands (ev): -13.8489 -13.8489 -2.7757 -2.7757 -1.4523 -1.4523 -0.9073 -0.9073 3.1309 3.1309 3.2691 3.2691 4.5675 4.5675 4.6462 4.6462 4.7668 4.7668 5.4716 5.4716 7.5794 7.5794 10.2895 10.2895 10.3601 10.3601 11.0245 11.0245 k = 0.0755 0.5000 0.0755 ( 6320 PWs) bands (ev): -13.8506 -13.8506 -2.7769 -2.7769 -1.4492 -1.4492 -0.8964 -0.8964 3.1316 3.1316 3.2720 3.2720 4.5688 4.5688 4.6525 4.6525 4.7713 4.7713 5.4855 5.4855 7.5247 7.5247 10.3141 10.3141 10.3345 10.3345 10.9662 10.9662 k = 0.0660 0.5000 0.0660 ( 6316 PWs) bands (ev): -13.8522 -13.8522 -2.7780 -2.7780 -1.4464 -1.4464 -0.8867 -0.8867 3.1321 3.1321 3.2749 3.2749 4.5700 4.5700 4.6579 4.6579 4.7764 4.7764 5.4988 5.4988 7.4749 7.4749 10.2757 10.2757 10.3691 10.3691 10.9178 10.9178 k = 0.0566 0.5000 0.0566 ( 6328 PWs) bands (ev): -13.8536 -13.8536 -2.7791 -2.7791 -1.4439 -1.4439 -0.8783 -0.8783 3.1324 3.1324 3.2777 3.2777 4.5711 4.5711 4.6623 4.6623 4.7816 4.7816 5.5110 5.5110 7.4305 7.4305 10.2414 10.2414 10.3956 10.3956 10.8801 10.8801 k = 0.0472 0.5000 0.0472 ( 6336 PWs) bands (ev): -13.8547 -13.8547 -2.7801 -2.7801 -1.4417 -1.4417 -0.8710 -0.8710 3.1327 3.1327 3.2802 3.2802 4.5721 4.5721 4.6658 4.6658 4.7868 4.7868 5.5219 5.5219 7.3921 7.3921 10.2123 10.2123 10.4132 10.4132 10.8531 10.8531 k = 0.0377 0.5000 0.0377 ( 6336 PWs) bands (ev): -13.8557 -13.8557 -2.7809 -2.7809 -1.4399 -1.4399 -0.8651 -0.8651 3.1329 3.1329 3.2823 3.2823 4.5729 4.5729 4.6685 4.6685 4.7915 4.7915 5.5312 5.5312 7.3599 7.3599 10.1884 10.1884 10.4228 10.4228 10.8360 10.8360 k = 0.0283 0.5000 0.0283 ( 6342 PWs) bands (ev): -13.8564 -13.8564 -2.7816 -2.7816 -1.4385 -1.4385 -0.8604 -0.8604 3.1330 3.1330 3.2841 3.2841 4.5736 4.5736 4.6705 4.6705 4.7955 4.7955 5.5388 5.5388 7.3345 7.3345 10.1697 10.1697 10.4264 10.4264 10.8265 10.8265 k = 0.0189 0.5000 0.0189 ( 6338 PWs) bands (ev): -13.8570 -13.8570 -2.7821 -2.7821 -1.4374 -1.4374 -0.8570 -0.8570 3.1331 3.1331 3.2854 3.2854 4.5741 4.5741 4.6718 4.6718 4.7985 4.7985 5.5443 5.5443 7.3161 7.3161 10.1564 10.1564 10.4266 10.4266 10.8222 10.8222 k = 0.0094 0.5000 0.0094 ( 6338 PWs) bands (ev): -13.8573 -13.8573 -2.7824 -2.7824 -1.4368 -1.4368 -0.8550 -0.8550 3.1331 3.1331 3.2862 3.2862 4.5744 4.5744 4.6726 4.6726 4.8004 4.8004 5.5477 5.5477 7.3050 7.3050 10.1483 10.1483 10.4257 10.4257 10.8207 10.8207 k = 0.0000 0.5000-0.0000 ( 6302 PWs) bands (ev): -13.8574 -13.8574 -2.7825 -2.7825 -1.4366 -1.4366 -0.8543 -0.8543 3.1331 3.1331 3.2865 3.2865 4.5745 4.5745 4.6729 4.6729 4.8010 4.8010 5.5489 5.5489 7.3013 7.3013 10.1457 10.1457 10.4252 10.4252 10.8203 10.8203 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -13.7951 -13.7951 -2.8077 -2.8077 -1.6445 -1.6445 -0.9505 -0.9505 3.0370 3.0370 3.1607 3.1607 4.1626 4.1626 4.5051 4.5051 4.8217 4.8217 5.2363 5.2363 9.7144 9.7144 10.0589 10.0589 10.7321 10.7321 12.8896 12.8896 k = 0.5000 0.5000 0.0135 ( 6256 PWs) bands (ev): -13.7949 -13.7949 -2.8077 -2.8077 -1.6443 -1.6443 -0.9519 -0.9519 3.0376 3.0376 3.1613 3.1613 4.1638 4.1638 4.5055 4.5055 4.8219 4.8219 5.2367 5.2367 9.7077 9.7077 10.0520 10.0520 10.7366 10.7366 12.8971 12.8971 k = 0.5000 0.5000 0.0270 ( 6264 PWs) bands (ev): -13.7946 -13.7946 -2.8080 -2.8080 -1.6439 -1.6439 -0.9561 -0.9561 3.0395 3.0395 3.1628 3.1628 4.1676 4.1676 4.5068 4.5068 4.8225 4.8225 5.2378 5.2378 9.6878 9.6878 10.0317 10.0317 10.7500 10.7500 12.9192 12.9192 k = 0.5000 0.5000 0.0405 ( 6256 PWs) bands (ev): -13.7941 -13.7941 -2.8084 -2.8084 -1.6432 -1.6432 -0.9630 -0.9630 3.0425 3.0425 3.1653 3.1653 4.1739 4.1739 4.5090 4.5090 4.8236 4.8236 5.2396 5.2396 9.6554 9.6554 9.9986 9.9986 10.7723 10.7723 12.9538 12.9538 k = 0.5000 0.5000 0.0541 ( 6264 PWs) bands (ev): -13.7933 -13.7933 -2.8089 -2.8089 -1.6421 -1.6421 -0.9726 -0.9726 3.0467 3.0467 3.1687 3.1687 4.1828 4.1828 4.5120 4.5120 4.8251 4.8251 5.2422 5.2422 9.6114 9.6114 9.9540 9.9540 10.8034 10.8034 12.9816 12.9816 k = 0.5000 0.5000 0.0676 ( 6280 PWs) bands (ev): -13.7923 -13.7923 -2.8096 -2.8096 -1.6409 -1.6409 -0.9847 -0.9847 3.0521 3.0521 3.1730 3.1730 4.1941 4.1941 4.5158 4.5158 4.8270 4.8270 5.2456 5.2456 9.5572 9.5572 9.8992 9.8992 10.8432 10.8432 12.8401 12.8401 k = 0.5000 0.5000 0.0811 ( 6272 PWs) bands (ev): -13.7911 -13.7911 -2.8105 -2.8105 -1.6393 -1.6393 -0.9991 -0.9991 3.0586 3.0586 3.1782 3.1782 4.2080 4.2080 4.5204 4.5204 4.8293 4.8293 5.2499 5.2499 9.4940 9.4940 9.8357 9.8357 10.8917 10.8917 12.6371 12.6371 k = 0.5000 0.5000 0.0946 ( 6264 PWs) bands (ev): -13.7898 -13.7898 -2.8115 -2.8115 -1.6375 -1.6375 -1.0158 -1.0158 3.0661 3.0661 3.1841 3.1841 4.2243 4.2243 4.5257 4.5257 4.8320 4.8320 5.2550 5.2550 9.4233 9.4233 9.7649 9.7649 10.9487 10.9487 12.4303 12.4303 k = 0.5000 0.5000 0.1081 ( 6276 PWs) bands (ev): -13.7882 -13.7882 -2.8128 -2.8128 -1.6354 -1.6354 -1.0345 -1.0345 3.0746 3.0746 3.1907 3.1907 4.2431 4.2431 4.5317 4.5317 4.8350 4.8350 5.2610 5.2610 9.3463 9.3463 9.6883 9.6883 11.0141 11.0141 12.2233 12.2233 k = 0.5000 0.5000 0.1216 ( 6284 PWs) bands (ev): -13.7865 -13.7865 -2.8142 -2.8142 -1.6331 -1.6331 -1.0551 -1.0551 3.0841 3.0841 3.1979 3.1979 4.2643 4.2643 4.5383 4.5383 4.8385 4.8385 5.2680 5.2680 9.2644 9.2644 9.6071 9.6071 11.0880 11.0880 12.0170 12.0170 k = 0.5000 0.5000 0.1351 ( 6284 PWs) bands (ev): -13.7846 -13.7846 -2.8158 -2.8158 -1.6306 -1.6306 -1.0771 -1.0771 3.0943 3.0943 3.2055 3.2055 4.2878 4.2878 4.5455 4.5455 4.8422 4.8422 5.2761 5.2761 9.1787 9.1787 9.5224 9.5224 11.1701 11.1701 11.8120 11.8120 k = 0.5000 0.5000 0.1486 ( 6284 PWs) bands (ev): -13.7825 -13.7825 -2.8177 -2.8177 -1.6279 -1.6279 -1.1006 -1.1006 3.1054 3.1054 3.2136 3.2136 4.3136 4.3136 4.5531 4.5531 4.8462 4.8462 5.2855 5.2855 9.0901 9.0901 9.4353 9.4353 11.2604 11.2604 11.6086 11.6086 k = 0.5000 0.5000 0.1622 ( 6284 PWs) bands (ev): -13.7803 -13.7803 -2.8197 -2.8197 -1.6250 -1.6250 -1.1251 -1.1251 3.1171 3.1171 3.2220 3.2220 4.3416 4.3416 4.5613 4.5613 4.8506 4.8506 5.2961 5.2961 8.9997 8.9997 9.3466 9.3466 11.3587 11.3587 11.4071 11.4071 k = 0.5000 0.5000 0.1757 ( 6304 PWs) bands (ev): -13.7780 -13.7780 -2.8220 -2.8220 -1.6220 -1.6220 -1.1505 -1.1505 3.1294 3.1294 3.2307 3.2307 4.3715 4.3715 4.5698 4.5698 4.8551 4.8551 5.3082 5.3082 8.9080 8.9080 9.2571 9.2571 11.2077 11.2077 11.4648 11.4648 k = 0.5000 0.5000 0.1892 ( 6304 PWs) bands (ev): -13.7756 -13.7756 -2.8246 -2.8246 -1.6188 -1.6188 -1.1766 -1.1766 3.1422 3.1422 3.2395 3.2395 4.4034 4.4034 4.5786 4.5786 4.8599 4.8599 5.3219 5.3219 8.8160 8.8160 9.1674 9.1674 11.0105 11.0105 11.5787 11.5787 k = 0.5000 0.5000 0.2027 ( 6312 PWs) bands (ev): -13.7731 -13.7731 -2.8273 -2.8273 -1.6156 -1.6156 -1.2030 -1.2030 3.1554 3.1554 3.2485 3.2485 4.4368 4.4368 4.5877 4.5877 4.8649 4.8649 5.3375 5.3375 8.7241 8.7241 9.0783 9.0783 10.8158 10.8158 11.7001 11.7001 k = 0.5000 0.5000 0.2162 ( 6312 PWs) bands (ev): -13.7706 -13.7706 -2.8303 -2.8303 -1.6122 -1.6122 -1.2296 -1.2296 3.1690 3.1690 3.2574 3.2574 4.4716 4.4716 4.5970 4.5970 4.8700 4.8700 5.3551 5.3551 8.6328 8.6328 8.9900 8.9900 10.6237 10.6237 11.8289 11.8289 k = 0.5000 0.5000 0.2297 ( 6296 PWs) bands (ev): -13.7680 -13.7680 -2.8335 -2.8335 -1.6087 -1.6087 -1.2561 -1.2561 3.1827 3.1827 3.2663 3.2663 4.5075 4.5075 4.6065 4.6065 4.8752 4.8752 5.3751 5.3751 8.5428 8.5428 8.9032 8.9032 10.4344 10.4344 11.9649 11.9649 k = 0.5000 0.5000 0.2432 ( 6296 PWs) bands (ev): -13.7653 -13.7653 -2.8369 -2.8369 -1.6053 -1.6053 -1.2824 -1.2824 3.1966 3.1966 3.2750 3.2750 4.5441 4.5441 4.6160 4.6160 4.8805 4.8805 5.3978 5.3978 8.4543 8.4543 8.8183 8.8183 10.2482 10.2482 12.1078 12.1078 k = 0.5000 0.5000 0.2568 ( 6292 PWs) bands (ev): -13.7627 -13.7627 -2.8405 -2.8405 -1.6018 -1.6018 -1.3081 -1.3081 3.2106 3.2106 3.2837 3.2837 4.5810 4.5810 4.6256 4.6256 4.8858 4.8858 5.4234 5.4234 8.3677 8.3677 8.7355 8.7355 10.0652 10.0652 12.2574 12.2574 k = 0.5000 0.5000 0.2703 ( 6292 PWs) bands (ev): -13.7600 -13.7600 -2.8443 -2.8443 -1.5983 -1.5983 -1.3333 -1.3333 3.2245 3.2245 3.2921 3.2921 4.6177 4.6177 4.6352 4.6352 4.8911 4.8911 5.4524 5.4524 8.2835 8.2835 8.6553 8.6553 9.8855 9.8855 12.4134 12.4134 k = 0.5000 0.5000 0.2838 ( 6292 PWs) bands (ev): -13.7574 -13.7574 -2.8482 -2.8482 -1.5948 -1.5948 -1.3576 -1.3576 3.2383 3.2383 3.3002 3.3002 4.6447 4.6447 4.6539 4.6539 4.8963 4.8963 5.4850 5.4850 8.2018 8.2018 8.5780 8.5780 9.7096 9.7096 12.5757 12.5757 k = 0.5000 0.5000 0.2973 ( 6276 PWs) bands (ev): -13.7548 -13.7548 -2.8522 -2.8522 -1.5914 -1.5914 -1.3810 -1.3810 3.2518 3.2518 3.3080 3.3080 4.6541 4.6541 4.6890 4.6890 4.9015 4.9015 5.5217 5.5217 8.1229 8.1229 8.5038 8.5038 9.5375 9.5375 12.7439 12.7439 k = 0.5000 0.5000 0.3108 ( 6276 PWs) bands (ev): -13.7523 -13.7523 -2.8564 -2.8564 -1.5881 -1.5881 -1.4033 -1.4033 3.2650 3.2650 3.3155 3.3155 4.6633 4.6633 4.7226 4.7226 4.9065 4.9065 5.5625 5.5625 8.0471 8.0471 8.4331 8.4331 9.3697 9.3697 12.9176 12.9176 k = 0.5000 0.5000 0.3243 ( 6276 PWs) bands (ev): -13.7498 -13.7498 -2.8605 -2.8605 -1.5849 -1.5849 -1.4244 -1.4244 3.2778 3.2778 3.3226 3.3226 4.6722 4.6722 4.7544 4.7544 4.9114 4.9114 5.6076 5.6076 7.9746 7.9746 8.3660 8.3660 9.2066 9.2066 13.0966 13.0966 k = 0.5000 0.5000 0.3378 ( 6260 PWs) bands (ev): -13.7475 -13.7475 -2.8647 -2.8647 -1.5818 -1.5818 -1.4442 -1.4442 3.2901 3.2901 3.3293 3.3293 4.6808 4.6808 4.7839 4.7839 4.9161 4.9161 5.6572 5.6572 7.9054 7.9054 8.3028 8.3028 9.0484 9.0484 13.2805 13.2805 k = 0.5000 0.5000 0.3514 ( 6268 PWs) bands (ev): -13.7453 -13.7453 -2.8687 -2.8687 -1.5789 -1.5789 -1.4627 -1.4627 3.3018 3.3018 3.3356 3.3356 4.6890 4.6890 4.8110 4.8110 4.9205 4.9205 5.7109 5.7109 7.8398 7.8398 8.2437 8.2437 8.8959 8.8959 13.4688 13.4688 k = 0.5000 0.5000 0.3649 ( 6268 PWs) bands (ev): -13.7432 -13.7432 -2.8727 -2.8727 -1.5762 -1.5762 -1.4797 -1.4797 3.3128 3.3128 3.3414 3.3414 4.6969 4.6969 4.8356 4.8356 4.9247 4.9247 5.7684 5.7684 7.7777 7.7777 8.1890 8.1890 8.7497 8.7497 13.6610 13.6610 k = 0.5000 0.5000 0.3784 ( 6268 PWs) bands (ev): -13.7412 -13.7412 -2.8765 -2.8765 -1.5736 -1.5736 -1.4952 -1.4952 3.3231 3.3231 3.3468 3.3468 4.7042 4.7042 4.8575 4.8575 4.9286 4.9286 5.8292 5.8292 7.7191 7.7191 8.1389 8.1389 8.6106 8.6106 13.8565 13.8565 k = 0.5000 0.5000 0.3919 ( 6268 PWs) bands (ev): -13.7395 -13.7395 -2.8801 -2.8801 -1.5713 -1.5713 -1.5091 -1.5091 3.3325 3.3325 3.3516 3.3516 4.7109 4.7109 4.8768 4.8768 4.9321 4.9321 5.8925 5.8925 7.6640 7.6640 8.0935 8.0935 8.4798 8.4798 14.0545 14.0545 k = 0.5000 0.5000 0.4054 ( 6260 PWs) bands (ev): -13.7379 -13.7379 -2.8834 -2.8834 -1.5692 -1.5692 -1.5214 -1.5214 3.3411 3.3411 3.3559 3.3559 4.7170 4.7170 4.8936 4.8936 4.9353 4.9353 5.9572 5.9572 7.6122 7.6122 8.0529 8.0529 8.3585 8.3585 14.2540 14.2540 k = 0.5000 0.5000 0.4189 ( 6240 PWs) bands (ev): -13.7364 -13.7364 -2.8864 -2.8864 -1.5673 -1.5673 -1.5322 -1.5322 3.3486 3.3486 3.3597 3.3597 4.7225 4.7225 4.9079 4.9079 4.9382 4.9382 6.0218 6.0218 7.5637 7.5637 8.0175 8.0175 8.2483 8.2483 14.4535 14.4535 k = 0.5000 0.5000 0.4324 ( 6232 PWs) bands (ev): -13.7352 -13.7352 -2.8890 -2.8890 -1.5657 -1.5657 -1.5413 -1.5413 3.3551 3.3551 3.3629 3.3629 4.7272 4.7272 4.9199 4.9199 4.9406 4.9406 6.0845 6.0845 7.5185 7.5185 7.9872 7.9872 8.1511 8.1511 14.6503 14.6503 k = 0.5000 0.5000 0.4459 ( 6228 PWs) bands (ev): -13.7342 -13.7342 -2.8912 -2.8912 -1.5644 -1.5644 -1.5487 -1.5487 3.3605 3.3605 3.3656 3.3656 4.7311 4.7311 4.9295 4.9295 4.9426 4.9426 6.1428 6.1428 7.4772 7.4772 7.9623 7.9623 8.0689 8.0689 14.8399 14.8399 k = 0.5000 0.5000 0.4595 ( 6244 PWs) bands (ev): -13.7334 -13.7334 -2.8930 -2.8930 -1.5634 -1.5634 -1.5546 -1.5546 3.3648 3.3648 3.3676 3.3676 4.7342 4.7342 4.9369 4.9369 4.9442 4.9442 6.1938 6.1938 7.4410 7.4410 7.9428 7.9428 8.0034 8.0034 15.0122 15.0122 k = 0.5000 0.5000 0.4730 ( 6252 PWs) bands (ev): -13.7329 -13.7329 -2.8943 -2.8943 -1.5626 -1.5626 -1.5587 -1.5587 3.3678 3.3678 3.3691 3.3691 4.7364 4.7364 4.9421 4.9421 4.9454 4.9454 6.2341 6.2341 7.4119 7.4119 7.9288 7.9288 7.9559 7.9559 15.1478 15.1478 k = 0.5000 0.5000 0.4865 ( 6272 PWs) bands (ev): -13.7325 -13.7325 -2.8950 -2.8950 -1.5622 -1.5622 -1.5612 -1.5612 3.3697 3.3697 3.3700 3.3700 4.7378 4.7378 4.9453 4.9453 4.9461 4.9461 6.2602 6.2602 7.3928 7.3928 7.9204 7.9204 7.9272 7.9272 15.2264 15.2264 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -13.7324 -13.7324 -2.8953 -2.8953 -1.5620 -1.5620 -1.5620 -1.5620 3.3703 3.3703 3.3703 3.3703 4.7382 4.7382 4.9463 4.9463 4.9463 4.9463 6.2692 6.2692 7.3861 7.3861 7.9176 7.9176 7.9176 7.9176 15.2502 15.2502 Writing output data file CsAu.save init_run : 0.33s CPU 0.43s WALL ( 1 calls) electrons : 101.93s CPU 103.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 101.93s CPU 103.46s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 287 calls) cegterg : 94.92s CPU 96.04s WALL ( 510 calls) Called by sum_band: Called by *egterg: h_psi : 61.17s CPU 62.09s WALL ( 8985 calls) s_psi : 1.78s CPU 1.72s WALL ( 8985 calls) g_psi : 0.22s CPU 0.22s WALL ( 8188 calls) cdiaghg : 26.74s CPU 26.61s WALL ( 8475 calls) cegterg:over : 3.10s CPU 3.28s WALL ( 8188 calls) cegterg:upda : 3.36s CPU 3.40s WALL ( 8188 calls) cegterg:last : 1.45s CPU 1.58s WALL ( 1371 calls) cdiaghg:chol : 1.49s CPU 1.51s WALL ( 8475 calls) cdiaghg:inve : 0.49s CPU 0.44s WALL ( 8475 calls) cdiaghg:para : 1.79s CPU 1.75s WALL ( 16950 calls) Called by h_psi: h_psi:vloc : 54.48s CPU 55.28s WALL ( 8985 calls) h_psi:vnl : 6.54s CPU 6.65s WALL ( 8985 calls) add_vuspsi : 3.66s CPU 3.91s WALL ( 8985 calls) General routines calbec : 2.84s CPU 2.72s WALL ( 8985 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.34s CPU 52.20s WALL ( 471120 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.14s WALL ( 574 calls) Parallel routines fft_scatter : 17.85s CPU 17.96s WALL ( 471143 calls) PWSCF : 1m52.60s CPU 2m 0.94s WALL This run was terminated on: 13:31:44 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=