Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13:37 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: ./Se.save/ 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 8 6 2 106 72 16 Max 9 7 4 111 81 18 Sum 293 241 89 3887 2721 587 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.6352 a.u. unit-cell volume = 178.9449 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 6.00 number of Kohn-Sham states= 14 kinetic-energy cutoff = 23.0000 Ry charge density cutoff = 118.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.635163 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 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= 407 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0000000 0.0094340 -0.0000000), wk = 0.0024570 k( 3) = ( 0.0000000 0.0188679 -0.0000000), wk = 0.0024570 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0024570 k( 5) = ( 0.0000000 0.0377359 -0.0000000), wk = 0.0024570 k( 6) = ( 0.0000000 0.0471698 -0.0000000), wk = 0.0024570 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0024570 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0024570 k( 9) = ( 0.0000000 0.0754717 -0.0000000), wk = 0.0024570 k( 10) = ( 0.0000000 0.0849057 -0.0000000), wk = 0.0024570 k( 11) = ( 0.0000000 0.0943396 -0.0000000), wk = 0.0024570 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0024570 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0024570 k( 14) = ( 0.0000000 0.1226415 -0.0000000), wk = 0.0024570 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0024570 k( 16) = ( 0.0000000 0.1415094 -0.0000000), wk = 0.0024570 k( 17) = ( 0.0000000 0.1509434 -0.0000000), wk = 0.0024570 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0024570 k( 19) = ( 0.0000000 0.1698113 -0.0000000), wk = 0.0024570 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0024570 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0024570 k( 22) = ( 0.0000000 0.1981132 -0.0000000), wk = 0.0024570 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0024570 k( 24) = ( 0.0000000 0.2169811 -0.0000000), wk = 0.0024570 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0024570 k( 26) = ( 0.0000000 0.2358491 -0.0000000), wk = 0.0024570 k( 27) = ( 0.0000000 0.2452830 -0.0000000), wk = 0.0024570 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0024570 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0024570 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0024570 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0024570 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0024570 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0024570 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0024570 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0024570 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0024570 k( 37) = ( 0.0000000 0.3396226 -0.0000000), wk = 0.0024570 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0024570 k( 39) = ( 0.0000000 0.3584906 -0.0000000), wk = 0.0024570 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0024570 k( 41) = ( 0.0000000 0.3773585 -0.0000000), wk = 0.0024570 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0024570 k( 43) = ( 0.0000000 0.3962264 -0.0000000), wk = 0.0024570 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0024570 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0024570 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0024570 k( 47) = ( 0.0000000 0.4339623 -0.0000000), wk = 0.0024570 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0024570 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0024570 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0024570 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0024570 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0024570 k( 53) = ( 0.0000000 0.4905660 -0.0000000), wk = 0.0024570 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0024570 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0024570 k( 58) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0024570 k( 59) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0024570 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0024570 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0024570 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0024570 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0024570 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0024570 k( 65) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0024570 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0024570 k( 67) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0024570 k( 68) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0024570 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0024570 k( 70) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0024570 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0024570 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0024570 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0024570 k( 74) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0024570 k( 75) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0024570 k( 76) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0024570 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0024570 k( 78) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0024570 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0024570 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0024570 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0024570 k( 82) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0024570 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0024570 k( 84) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0024570 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0024570 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0024570 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0024570 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0024570 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0024570 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024570 k( 91) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0024570 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0024570 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0024570 k( 94) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0024570 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0024570 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024570 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0024570 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0024570 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0024570 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0024570 k( 101) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0024570 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0024570 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0024570 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0024570 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0024570 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0024570 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0024570 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 110) = ( 0.4933333 0.4933333 -0.0000000), wk = 0.0024570 k( 111) = ( 0.4866667 0.4866667 -0.0000000), wk = 0.0024570 k( 112) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0024570 k( 113) = ( 0.4733333 0.4733333 -0.0000000), wk = 0.0024570 k( 114) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0024570 k( 115) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0024570 k( 116) = ( 0.4533333 0.4533333 -0.0000000), wk = 0.0024570 k( 117) = ( 0.4466667 0.4466667 -0.0000000), wk = 0.0024570 k( 118) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0024570 k( 119) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0024570 k( 120) = ( 0.4266667 0.4266667 -0.0000000), wk = 0.0024570 k( 121) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0024570 k( 122) = ( 0.4133333 0.4133333 -0.0000000), wk = 0.0024570 k( 123) = ( 0.4066667 0.4066667 -0.0000000), wk = 0.0024570 k( 124) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0024570 k( 125) = ( 0.3933333 0.3933333 -0.0000000), wk = 0.0024570 k( 126) = ( 0.3866667 0.3866667 -0.0000000), wk = 0.0024570 k( 127) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0024570 k( 128) = ( 0.3733333 0.3733333 -0.0000000), wk = 0.0024570 k( 129) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0024570 k( 130) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0024570 k( 131) = ( 0.3533333 0.3533333 -0.0000000), wk = 0.0024570 k( 132) = ( 0.3466667 0.3466667 -0.0000000), wk = 0.0024570 k( 133) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0024570 k( 134) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024570 k( 135) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0024570 k( 136) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0024570 k( 137) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0024570 k( 138) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0024570 k( 139) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0024570 k( 140) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0024570 k( 141) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0024570 k( 142) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0024570 k( 143) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0024570 k( 144) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0024570 k( 145) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0024570 k( 146) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0024570 k( 147) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0024570 k( 148) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0024570 k( 149) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0024570 k( 150) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0024570 k( 151) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0024570 k( 152) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0024570 k( 153) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0024570 k( 154) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0024570 k( 155) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0024570 k( 156) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0024570 k( 157) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0024570 k( 158) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0024570 k( 159) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024570 k( 160) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0024570 k( 161) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0024570 k( 162) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0024570 k( 163) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0024570 k( 164) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0024570 k( 165) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0024570 k( 166) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0024570 k( 167) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0024570 k( 168) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0024570 k( 169) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0024570 k( 170) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0024570 k( 171) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0024570 k( 172) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0024570 k( 173) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0024570 k( 174) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0024570 k( 175) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0024570 k( 176) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0024570 k( 177) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0024570 k( 178) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0024570 k( 179) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0024570 k( 180) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0024570 k( 181) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0024570 k( 182) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0024570 k( 183) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 186) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0024570 k( 187) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0024570 k( 188) = ( 0.0163043 0.0163043 0.0163043), wk = 0.0024570 k( 189) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0024570 k( 190) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0024570 k( 191) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0024570 k( 192) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0024570 k( 193) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0024570 k( 194) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0024570 k( 195) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0024570 k( 196) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0024570 k( 197) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0024570 k( 198) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0024570 k( 199) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0024570 k( 200) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0024570 k( 201) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0024570 k( 202) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0024570 k( 203) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0024570 k( 204) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0024570 k( 205) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0024570 k( 206) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0024570 k( 207) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0024570 k( 208) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024570 k( 209) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0024570 k( 210) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0024570 k( 211) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0024570 k( 212) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0024570 k( 213) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0024570 k( 214) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0024570 k( 215) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0024570 k( 216) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0024570 k( 217) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0024570 k( 218) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0024570 k( 219) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0024570 k( 220) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0024570 k( 221) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0024570 k( 222) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0024570 k( 223) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0024570 k( 224) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0024570 k( 225) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0024570 k( 226) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0024570 k( 227) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0024570 k( 228) = ( 0.2336957 0.2336956 0.2336956), wk = 0.0024570 k( 229) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0024570 k( 230) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0024570 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024570 k( 232) = ( 0.2554348 0.2554348 0.2554348), wk = 0.0024570 k( 233) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0024570 k( 234) = ( 0.2663044 0.2663044 0.2663043), wk = 0.0024570 k( 235) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0024570 k( 236) = ( 0.2771739 0.2771739 0.2771739), wk = 0.0024570 k( 237) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0024570 k( 238) = ( 0.2880435 0.2880435 0.2880435), wk = 0.0024570 k( 239) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0024570 k( 240) = ( 0.2989130 0.2989130 0.2989130), wk = 0.0024570 k( 241) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0024570 k( 242) = ( 0.3097826 0.3097826 0.3097826), wk = 0.0024570 k( 243) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0024570 k( 244) = ( 0.3206522 0.3206522 0.3206522), wk = 0.0024570 k( 245) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0024570 k( 246) = ( 0.3315217 0.3315217 0.3315217), wk = 0.0024570 k( 247) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0024570 k( 248) = ( 0.3423913 0.3423913 0.3423913), wk = 0.0024570 k( 249) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0024570 k( 250) = ( 0.3532609 0.3532609 0.3532609), wk = 0.0024570 k( 251) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0024570 k( 252) = ( 0.3641304 0.3641304 0.3641304), wk = 0.0024570 k( 253) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0024570 k( 254) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024570 k( 255) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0024570 k( 256) = ( 0.3858696 0.3858696 0.3858696), wk = 0.0024570 k( 257) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0024570 k( 258) = ( 0.3967391 0.3967391 0.3967391), wk = 0.0024570 k( 259) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0024570 k( 260) = ( 0.4076087 0.4076087 0.4076087), wk = 0.0024570 k( 261) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0024570 k( 262) = ( 0.4184783 0.4184783 0.4184783), wk = 0.0024570 k( 263) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0024570 k( 264) = ( 0.4293478 0.4293478 0.4293478), wk = 0.0024570 k( 265) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0024570 k( 266) = ( 0.4402174 0.4402174 0.4402174), wk = 0.0024570 k( 267) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0024570 k( 268) = ( 0.4510870 0.4510870 0.4510870), wk = 0.0024570 k( 269) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0024570 k( 270) = ( 0.4619565 0.4619565 0.4619565), wk = 0.0024570 k( 271) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0024570 k( 272) = ( 0.4728261 0.4728261 0.4728261), wk = 0.0024570 k( 273) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0024570 k( 274) = ( 0.4836956 0.4836956 0.4836956), wk = 0.0024570 k( 275) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0024570 k( 276) = ( 0.4945652 0.4945652 0.4945652), wk = 0.0024570 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 279) = ( 0.4933333 0.5000000 0.4933333), wk = 0.0024570 k( 280) = ( 0.4866667 0.5000000 0.4866667), wk = 0.0024570 k( 281) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0024570 k( 282) = ( 0.4733333 0.5000000 0.4733333), wk = 0.0024570 k( 283) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0024570 k( 284) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0024570 k( 285) = ( 0.4533333 0.5000000 0.4533333), wk = 0.0024570 k( 286) = ( 0.4466667 0.5000000 0.4466667), wk = 0.0024570 k( 287) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0024570 k( 288) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0024570 k( 289) = ( 0.4266667 0.5000000 0.4266667), wk = 0.0024570 k( 290) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0024570 k( 291) = ( 0.4133333 0.5000000 0.4133333), wk = 0.0024570 k( 292) = ( 0.4066667 0.5000000 0.4066667), wk = 0.0024570 k( 293) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0024570 k( 294) = ( 0.3933333 0.5000000 0.3933333), wk = 0.0024570 k( 295) = ( 0.3866667 0.5000000 0.3866667), wk = 0.0024570 k( 296) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0024570 k( 297) = ( 0.3733333 0.5000000 0.3733333), wk = 0.0024570 k( 298) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0024570 k( 299) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0024570 k( 300) = ( 0.3533333 0.5000000 0.3533333), wk = 0.0024570 k( 301) = ( 0.3466667 0.5000000 0.3466667), wk = 0.0024570 k( 302) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0024570 k( 303) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0024570 k( 304) = ( 0.3266667 0.5000000 0.3266667), wk = 0.0024570 k( 305) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0024570 k( 306) = ( 0.3133333 0.5000000 0.3133333), wk = 0.0024570 k( 307) = ( 0.3066667 0.5000000 0.3066667), wk = 0.0024570 k( 308) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0024570 k( 309) = ( 0.2933333 0.5000000 0.2933333), wk = 0.0024570 k( 310) = ( 0.2866667 0.5000000 0.2866667), wk = 0.0024570 k( 311) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0024570 k( 312) = ( 0.2733333 0.5000000 0.2733333), wk = 0.0024570 k( 313) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0024570 k( 314) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0024570 k( 315) = ( 0.2533333 0.5000000 0.2533333), wk = 0.0024570 k( 316) = ( 0.2466667 0.5000000 0.2466667), wk = 0.0024570 k( 317) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0024570 k( 318) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0024570 k( 319) = ( 0.2266667 0.5000000 0.2266667), wk = 0.0024570 k( 320) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0024570 k( 321) = ( 0.2133333 0.5000000 0.2133333), wk = 0.0024570 k( 322) = ( 0.2066667 0.5000000 0.2066667), wk = 0.0024570 k( 323) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0024570 k( 324) = ( 0.1933333 0.5000000 0.1933333), wk = 0.0024570 k( 325) = ( 0.1866667 0.5000000 0.1866667), wk = 0.0024570 k( 326) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0024570 k( 327) = ( 0.1733333 0.5000000 0.1733333), wk = 0.0024570 k( 328) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0024570 k( 329) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0024570 k( 330) = ( 0.1533333 0.5000000 0.1533333), wk = 0.0024570 k( 331) = ( 0.1466667 0.5000000 0.1466667), wk = 0.0024570 k( 332) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0024570 k( 333) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0024570 k( 334) = ( 0.1266667 0.5000000 0.1266667), wk = 0.0024570 k( 335) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0024570 k( 336) = ( 0.1133333 0.5000000 0.1133333), wk = 0.0024570 k( 337) = ( 0.1066667 0.5000000 0.1066667), wk = 0.0024570 k( 338) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0024570 k( 339) = ( 0.0933333 0.5000000 0.0933333), wk = 0.0024570 k( 340) = ( 0.0866667 0.5000000 0.0866667), wk = 0.0024570 k( 341) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0024570 k( 342) = ( 0.0733333 0.5000000 0.0733333), wk = 0.0024570 k( 343) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0024570 k( 344) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0024570 k( 345) = ( 0.0533333 0.5000000 0.0533333), wk = 0.0024570 k( 346) = ( 0.0466667 0.5000000 0.0466667), wk = 0.0024570 k( 347) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0024570 k( 348) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0024570 k( 349) = ( 0.0266667 0.5000000 0.0266667), wk = 0.0024570 k( 350) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0024570 k( 351) = ( 0.0133333 0.5000000 0.0133333), wk = 0.0024570 k( 352) = ( 0.0066667 0.5000000 0.0066667), wk = 0.0024570 k( 353) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 354) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 355) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024570 k( 356) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024570 k( 357) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024570 k( 358) = ( 0.5000000 0.5000000 0.0377358), wk = 0.0024570 k( 359) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024570 k( 360) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024570 k( 361) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024570 k( 362) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024570 k( 363) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024570 k( 364) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024570 k( 365) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024570 k( 366) = ( 0.5000000 0.5000000 0.1132075), wk = 0.0024570 k( 367) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024570 k( 368) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024570 k( 369) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024570 k( 370) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024570 k( 371) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024570 k( 372) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024570 k( 373) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024570 k( 374) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024570 k( 375) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024570 k( 376) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024570 k( 377) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024570 k( 378) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024570 k( 379) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024570 k( 380) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024570 k( 381) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024570 k( 382) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024570 k( 383) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024570 k( 384) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024570 k( 385) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024570 k( 386) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024570 k( 387) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024570 k( 388) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024570 k( 389) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024570 k( 390) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024570 k( 391) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024570 k( 392) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024570 k( 393) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024570 k( 394) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024570 k( 395) = ( 0.5000000 0.5000000 0.3867924), wk = 0.0024570 k( 396) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024570 k( 397) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024570 k( 398) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024570 k( 399) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024570 k( 400) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024570 k( 401) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024570 k( 402) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024570 k( 403) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024570 k( 404) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024570 k( 405) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024570 k( 406) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024570 k( 407) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0000000 0.0094340 0.0000000), wk = 0.0024570 k( 3) = ( 0.0000000 0.0188679 0.0000000), wk = 0.0024570 k( 4) = ( 0.0000000 0.0283019 0.0000000), wk = 0.0024570 k( 5) = ( 0.0000000 0.0377359 0.0000000), wk = 0.0024570 k( 6) = ( 0.0000000 0.0471698 0.0000000), wk = 0.0024570 k( 7) = ( 0.0000000 0.0566038 0.0000000), wk = 0.0024570 k( 8) = ( 0.0000000 0.0660377 0.0000000), wk = 0.0024570 k( 9) = ( 0.0000000 0.0754717 0.0000000), wk = 0.0024570 k( 10) = ( 0.0000000 0.0849057 0.0000000), wk = 0.0024570 k( 11) = ( 0.0000000 0.0943396 0.0000000), wk = 0.0024570 k( 12) = ( 0.0000000 0.1037736 0.0000000), wk = 0.0024570 k( 13) = ( 0.0000000 0.1132076 0.0000000), wk = 0.0024570 k( 14) = ( 0.0000000 0.1226415 0.0000000), wk = 0.0024570 k( 15) = ( 0.0000000 0.1320755 0.0000000), wk = 0.0024570 k( 16) = ( 0.0000000 0.1415094 0.0000000), wk = 0.0024570 k( 17) = ( 0.0000000 0.1509434 0.0000000), wk = 0.0024570 k( 18) = ( 0.0000000 0.1603774 0.0000000), wk = 0.0024570 k( 19) = ( 0.0000000 0.1698113 0.0000000), wk = 0.0024570 k( 20) = ( 0.0000000 0.1792453 0.0000000), wk = 0.0024570 k( 21) = ( 0.0000000 0.1886792 0.0000000), wk = 0.0024570 k( 22) = ( 0.0000000 0.1981132 0.0000000), wk = 0.0024570 k( 23) = ( 0.0000000 0.2075472 0.0000000), wk = 0.0024570 k( 24) = ( 0.0000000 0.2169811 0.0000000), wk = 0.0024570 k( 25) = ( 0.0000000 0.2264151 0.0000000), wk = 0.0024570 k( 26) = ( 0.0000000 0.2358491 0.0000000), wk = 0.0024570 k( 27) = ( 0.0000000 0.2452830 0.0000000), wk = 0.0024570 k( 28) = ( 0.0000000 0.2547170 0.0000000), wk = 0.0024570 k( 29) = ( 0.0000000 0.2641509 0.0000000), wk = 0.0024570 k( 30) = ( 0.0000000 0.2735849 0.0000000), wk = 0.0024570 k( 31) = ( 0.0000000 0.2830189 0.0000000), wk = 0.0024570 k( 32) = ( 0.0000000 0.2924528 0.0000000), wk = 0.0024570 k( 33) = ( 0.0000000 0.3018868 0.0000000), wk = 0.0024570 k( 34) = ( 0.0000000 0.3113207 0.0000000), wk = 0.0024570 k( 35) = ( 0.0000000 0.3207547 0.0000000), wk = 0.0024570 k( 36) = ( 0.0000000 0.3301887 0.0000000), wk = 0.0024570 k( 37) = ( 0.0000000 0.3396226 0.0000000), wk = 0.0024570 k( 38) = ( 0.0000000 0.3490566 0.0000000), wk = 0.0024570 k( 39) = ( 0.0000000 0.3584906 0.0000000), wk = 0.0024570 k( 40) = ( 0.0000000 0.3679245 0.0000000), wk = 0.0024570 k( 41) = ( 0.0000000 0.3773585 0.0000000), wk = 0.0024570 k( 42) = ( 0.0000000 0.3867925 0.0000000), wk = 0.0024570 k( 43) = ( 0.0000000 0.3962264 0.0000000), wk = 0.0024570 k( 44) = ( 0.0000000 0.4056604 0.0000000), wk = 0.0024570 k( 45) = ( 0.0000000 0.4150943 0.0000000), wk = 0.0024570 k( 46) = ( 0.0000000 0.4245283 0.0000000), wk = 0.0024570 k( 47) = ( 0.0000000 0.4339623 0.0000000), wk = 0.0024570 k( 48) = ( 0.0000000 0.4433962 0.0000000), wk = 0.0024570 k( 49) = ( 0.0000000 0.4528302 0.0000000), wk = 0.0024570 k( 50) = ( 0.0000000 0.4622641 0.0000000), wk = 0.0024570 k( 51) = ( 0.0000000 0.4716981 0.0000000), wk = 0.0024570 k( 52) = ( 0.0000000 0.4811321 0.0000000), wk = 0.0024570 k( 53) = ( 0.0000000 0.4905660 0.0000000), wk = 0.0024570 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 56) = ( 0.0094340 0.5000000 0.0000000), wk = 0.0024570 k( 57) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0024570 k( 58) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0024570 k( 59) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0024570 k( 60) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0024570 k( 61) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0024570 k( 62) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0024570 k( 63) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0024570 k( 64) = ( 0.0849057 0.5000000 0.0000000), wk = 0.0024570 k( 65) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0024570 k( 66) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0024570 k( 67) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0024570 k( 68) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0024570 k( 69) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0024570 k( 70) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0024570 k( 71) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0024570 k( 72) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0024570 k( 73) = ( 0.1698113 0.5000000 0.0000000), wk = 0.0024570 k( 74) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0024570 k( 75) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0024570 k( 76) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0024570 k( 77) = ( 0.2075472 0.5000000 0.0000000), wk = 0.0024570 k( 78) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0024570 k( 79) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0024570 k( 80) = ( 0.2358491 0.5000000 0.0000000), wk = 0.0024570 k( 81) = ( 0.2452830 0.5000000 0.0000000), wk = 0.0024570 k( 82) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0024570 k( 83) = ( 0.2641509 0.5000000 0.0000000), wk = 0.0024570 k( 84) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0024570 k( 85) = ( 0.2830189 0.5000000 0.0000000), wk = 0.0024570 k( 86) = ( 0.2924528 0.5000000 0.0000000), wk = 0.0024570 k( 87) = ( 0.3018868 0.5000000 0.0000000), wk = 0.0024570 k( 88) = ( 0.3113207 0.5000000 0.0000000), wk = 0.0024570 k( 89) = ( 0.3207547 0.5000000 0.0000000), wk = 0.0024570 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024570 k( 91) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0024570 k( 92) = ( 0.3490566 0.5000000 0.0000000), wk = 0.0024570 k( 93) = ( 0.3584906 0.5000000 0.0000000), wk = 0.0024570 k( 94) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0024570 k( 95) = ( 0.3773585 0.5000000 0.0000000), wk = 0.0024570 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024570 k( 97) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0024570 k( 98) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0024570 k( 99) = ( 0.4150943 0.5000000 0.0000000), wk = 0.0024570 k( 100) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0024570 k( 101) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0024570 k( 102) = ( 0.4433962 0.5000000 0.0000000), wk = 0.0024570 k( 103) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0024570 k( 104) = ( 0.4622641 0.5000000 0.0000000), wk = 0.0024570 k( 105) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0024570 k( 106) = ( 0.4811321 0.5000000 0.0000000), wk = 0.0024570 k( 107) = ( 0.4905660 0.5000000 0.0000000), wk = 0.0024570 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 110) = ( 0.4933333 0.4933333 0.0000000), wk = 0.0024570 k( 111) = ( 0.4866667 0.4866667 0.0000000), wk = 0.0024570 k( 112) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0024570 k( 113) = ( 0.4733333 0.4733333 0.0000000), wk = 0.0024570 k( 114) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0024570 k( 115) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0024570 k( 116) = ( 0.4533333 0.4533333 0.0000000), wk = 0.0024570 k( 117) = ( 0.4466667 0.4466667 0.0000000), wk = 0.0024570 k( 118) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0024570 k( 119) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0024570 k( 120) = ( 0.4266667 0.4266667 0.0000000), wk = 0.0024570 k( 121) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0024570 k( 122) = ( 0.4133333 0.4133333 0.0000000), wk = 0.0024570 k( 123) = ( 0.4066667 0.4066667 0.0000000), wk = 0.0024570 k( 124) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0024570 k( 125) = ( 0.3933333 0.3933333 0.0000000), wk = 0.0024570 k( 126) = ( 0.3866667 0.3866667 0.0000000), wk = 0.0024570 k( 127) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0024570 k( 128) = ( 0.3733333 0.3733333 0.0000000), wk = 0.0024570 k( 129) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0024570 k( 130) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0024570 k( 131) = ( 0.3533333 0.3533333 0.0000000), wk = 0.0024570 k( 132) = ( 0.3466667 0.3466667 0.0000000), wk = 0.0024570 k( 133) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0024570 k( 134) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024570 k( 135) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0024570 k( 136) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0024570 k( 137) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0024570 k( 138) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0024570 k( 139) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0024570 k( 140) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0024570 k( 141) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0024570 k( 142) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0024570 k( 143) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0024570 k( 144) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024570 k( 145) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0024570 k( 146) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0024570 k( 147) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0024570 k( 148) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0024570 k( 149) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0024570 k( 150) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0024570 k( 151) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0024570 k( 152) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0024570 k( 153) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0024570 k( 154) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0024570 k( 155) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0024570 k( 156) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0024570 k( 157) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0024570 k( 158) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0024570 k( 159) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024570 k( 160) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0024570 k( 161) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0024570 k( 162) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0024570 k( 163) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0024570 k( 164) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0024570 k( 165) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0024570 k( 166) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0024570 k( 167) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0024570 k( 168) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0024570 k( 169) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0024570 k( 170) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0024570 k( 171) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0024570 k( 172) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0024570 k( 173) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0024570 k( 174) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0024570 k( 175) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0024570 k( 176) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0024570 k( 177) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0024570 k( 178) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0024570 k( 179) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0024570 k( 180) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0024570 k( 181) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0024570 k( 182) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0024570 k( 183) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 186) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0024570 k( 187) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0024570 k( 188) = ( 0.0163043 0.0163043 0.0163043), wk = 0.0024570 k( 189) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0024570 k( 190) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0024570 k( 191) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0024570 k( 192) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0024570 k( 193) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0024570 k( 194) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0024570 k( 195) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0024570 k( 196) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0024570 k( 197) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0024570 k( 198) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0024570 k( 199) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0024570 k( 200) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0024570 k( 201) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0024570 k( 202) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0024570 k( 203) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0024570 k( 204) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0024570 k( 205) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0024570 k( 206) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0024570 k( 207) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0024570 k( 208) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024570 k( 209) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0024570 k( 210) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0024570 k( 211) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0024570 k( 212) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0024570 k( 213) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0024570 k( 214) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0024570 k( 215) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0024570 k( 216) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0024570 k( 217) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0024570 k( 218) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0024570 k( 219) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0024570 k( 220) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0024570 k( 221) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0024570 k( 222) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0024570 k( 223) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0024570 k( 224) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0024570 k( 225) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0024570 k( 226) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0024570 k( 227) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0024570 k( 228) = ( 0.2336957 0.2336957 0.2336957), wk = 0.0024570 k( 229) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0024570 k( 230) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0024570 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024570 k( 232) = ( 0.2554348 0.2554348 0.2554348), wk = 0.0024570 k( 233) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0024570 k( 234) = ( 0.2663044 0.2663044 0.2663044), wk = 0.0024570 k( 235) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0024570 k( 236) = ( 0.2771739 0.2771739 0.2771739), wk = 0.0024570 k( 237) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0024570 k( 238) = ( 0.2880435 0.2880435 0.2880435), wk = 0.0024570 k( 239) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0024570 k( 240) = ( 0.2989130 0.2989130 0.2989130), wk = 0.0024570 k( 241) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0024570 k( 242) = ( 0.3097826 0.3097826 0.3097826), wk = 0.0024570 k( 243) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0024570 k( 244) = ( 0.3206522 0.3206522 0.3206522), wk = 0.0024570 k( 245) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0024570 k( 246) = ( 0.3315217 0.3315217 0.3315217), wk = 0.0024570 k( 247) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0024570 k( 248) = ( 0.3423913 0.3423913 0.3423913), wk = 0.0024570 k( 249) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0024570 k( 250) = ( 0.3532609 0.3532609 0.3532609), wk = 0.0024570 k( 251) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0024570 k( 252) = ( 0.3641304 0.3641304 0.3641304), wk = 0.0024570 k( 253) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0024570 k( 254) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024570 k( 255) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0024570 k( 256) = ( 0.3858696 0.3858696 0.3858696), wk = 0.0024570 k( 257) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0024570 k( 258) = ( 0.3967391 0.3967391 0.3967391), wk = 0.0024570 k( 259) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0024570 k( 260) = ( 0.4076087 0.4076087 0.4076087), wk = 0.0024570 k( 261) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0024570 k( 262) = ( 0.4184783 0.4184783 0.4184783), wk = 0.0024570 k( 263) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0024570 k( 264) = ( 0.4293478 0.4293478 0.4293478), wk = 0.0024570 k( 265) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0024570 k( 266) = ( 0.4402174 0.4402174 0.4402174), wk = 0.0024570 k( 267) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0024570 k( 268) = ( 0.4510870 0.4510870 0.4510870), wk = 0.0024570 k( 269) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0024570 k( 270) = ( 0.4619565 0.4619565 0.4619565), wk = 0.0024570 k( 271) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0024570 k( 272) = ( 0.4728261 0.4728261 0.4728261), wk = 0.0024570 k( 273) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0024570 k( 274) = ( 0.4836956 0.4836956 0.4836956), wk = 0.0024570 k( 275) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0024570 k( 276) = ( 0.4945652 0.4945652 0.4945652), wk = 0.0024570 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 279) = ( 0.4933333 0.5000000 0.4933333), wk = 0.0024570 k( 280) = ( 0.4866667 0.5000000 0.4866667), wk = 0.0024570 k( 281) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0024570 k( 282) = ( 0.4733333 0.5000000 0.4733333), wk = 0.0024570 k( 283) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0024570 k( 284) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0024570 k( 285) = ( 0.4533333 0.5000000 0.4533333), wk = 0.0024570 k( 286) = ( 0.4466667 0.5000000 0.4466667), wk = 0.0024570 k( 287) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0024570 k( 288) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0024570 k( 289) = ( 0.4266667 0.5000000 0.4266667), wk = 0.0024570 k( 290) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0024570 k( 291) = ( 0.4133333 0.5000000 0.4133333), wk = 0.0024570 k( 292) = ( 0.4066667 0.5000000 0.4066667), wk = 0.0024570 k( 293) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0024570 k( 294) = ( 0.3933333 0.5000000 0.3933333), wk = 0.0024570 k( 295) = ( 0.3866667 0.5000000 0.3866667), wk = 0.0024570 k( 296) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0024570 k( 297) = ( 0.3733333 0.5000000 0.3733333), wk = 0.0024570 k( 298) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0024570 k( 299) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0024570 k( 300) = ( 0.3533333 0.5000000 0.3533333), wk = 0.0024570 k( 301) = ( 0.3466667 0.5000000 0.3466667), wk = 0.0024570 k( 302) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0024570 k( 303) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0024570 k( 304) = ( 0.3266667 0.5000000 0.3266667), wk = 0.0024570 k( 305) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0024570 k( 306) = ( 0.3133333 0.5000000 0.3133333), wk = 0.0024570 k( 307) = ( 0.3066667 0.5000000 0.3066667), wk = 0.0024570 k( 308) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0024570 k( 309) = ( 0.2933333 0.5000000 0.2933333), wk = 0.0024570 k( 310) = ( 0.2866667 0.5000000 0.2866667), wk = 0.0024570 k( 311) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0024570 k( 312) = ( 0.2733333 0.5000000 0.2733333), wk = 0.0024570 k( 313) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0024570 k( 314) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0024570 k( 315) = ( 0.2533333 0.5000000 0.2533333), wk = 0.0024570 k( 316) = ( 0.2466667 0.5000000 0.2466667), wk = 0.0024570 k( 317) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0024570 k( 318) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0024570 k( 319) = ( 0.2266667 0.5000000 0.2266667), wk = 0.0024570 k( 320) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0024570 k( 321) = ( 0.2133333 0.5000000 0.2133333), wk = 0.0024570 k( 322) = ( 0.2066667 0.5000000 0.2066667), wk = 0.0024570 k( 323) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0024570 k( 324) = ( 0.1933333 0.5000000 0.1933333), wk = 0.0024570 k( 325) = ( 0.1866667 0.5000000 0.1866667), wk = 0.0024570 k( 326) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0024570 k( 327) = ( 0.1733333 0.5000000 0.1733333), wk = 0.0024570 k( 328) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0024570 k( 329) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0024570 k( 330) = ( 0.1533333 0.5000000 0.1533333), wk = 0.0024570 k( 331) = ( 0.1466667 0.5000000 0.1466667), wk = 0.0024570 k( 332) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0024570 k( 333) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0024570 k( 334) = ( 0.1266667 0.5000000 0.1266667), wk = 0.0024570 k( 335) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0024570 k( 336) = ( 0.1133333 0.5000000 0.1133333), wk = 0.0024570 k( 337) = ( 0.1066667 0.5000000 0.1066667), wk = 0.0024570 k( 338) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0024570 k( 339) = ( 0.0933333 0.5000000 0.0933333), wk = 0.0024570 k( 340) = ( 0.0866667 0.5000000 0.0866667), wk = 0.0024570 k( 341) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0024570 k( 342) = ( 0.0733333 0.5000000 0.0733333), wk = 0.0024570 k( 343) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0024570 k( 344) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0024570 k( 345) = ( 0.0533333 0.5000000 0.0533333), wk = 0.0024570 k( 346) = ( 0.0466667 0.5000000 0.0466667), wk = 0.0024570 k( 347) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0024570 k( 348) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0024570 k( 349) = ( 0.0266667 0.5000000 0.0266667), wk = 0.0024570 k( 350) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0024570 k( 351) = ( 0.0133333 0.5000000 0.0133333), wk = 0.0024570 k( 352) = ( 0.0066667 0.5000000 0.0066667), wk = 0.0024570 k( 353) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 354) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 355) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024570 k( 356) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024570 k( 357) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024570 k( 358) = ( 0.5000000 0.5000000 0.0377359), wk = 0.0024570 k( 359) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024570 k( 360) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024570 k( 361) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024570 k( 362) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024570 k( 363) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024570 k( 364) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024570 k( 365) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024570 k( 366) = ( 0.5000000 0.5000000 0.1132076), wk = 0.0024570 k( 367) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024570 k( 368) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024570 k( 369) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024570 k( 370) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024570 k( 371) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024570 k( 372) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024570 k( 373) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024570 k( 374) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024570 k( 375) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024570 k( 376) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024570 k( 377) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024570 k( 378) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024570 k( 379) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024570 k( 380) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024570 k( 381) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024570 k( 382) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024570 k( 383) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024570 k( 384) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024570 k( 385) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024570 k( 386) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024570 k( 387) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024570 k( 388) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024570 k( 389) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024570 k( 390) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024570 k( 391) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024570 k( 392) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024570 k( 393) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024570 k( 394) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024570 k( 395) = ( 0.5000000 0.5000000 0.3867925), wk = 0.0024570 k( 396) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024570 k( 397) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024570 k( 398) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024570 k( 399) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024570 k( 400) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024570 k( 401) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024570 k( 402) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024570 k( 403) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024570 k( 404) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024570 k( 405) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024570 k( 406) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024570 k( 407) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 Dense grid: 3887 G-vectors FFT dimensions: ( 20, 20, 20) Smooth grid: 2721 G-vectors FFT dimensions: ( 18, 18, 18) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.00 Mb ( 20, 14) NL pseudopotentials 0.00 Mb ( 10, 14) Each V/rho on FFT grid 0.01 Mb ( 400) Each G-vector array 0.00 Mb ( 108) G-vector shells 0.00 Mb ( 45) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.02 Mb ( 20, 56) Each subspace H/S matrix 0.00 Mb ( 14, 14) Each matrix 0.01 Mb ( 14, 2, 14) The potential is recalculated from file : ./Se.save/charge-density.dat Starting wfc are 8 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.1 secs Computing kpt #: 2 total cpu time spent up to now is 1.1 secs Computing kpt #: 3 total cpu time spent up to now is 1.1 secs Computing kpt #: 4 total cpu time spent up to now is 1.2 secs Computing kpt #: 5 total cpu time spent up to now is 1.2 secs Computing kpt #: 6 total cpu time spent up to now is 1.2 secs Computing kpt #: 7 total cpu time spent up to now is 1.2 secs Computing kpt #: 8 total cpu time spent up to now is 1.3 secs Computing kpt #: 9 total cpu time spent up to now is 1.3 secs Computing kpt #: 10 total cpu time spent up to now is 1.3 secs Computing kpt #: 11 total cpu time spent up to now is 1.4 secs Computing kpt #: 12 total cpu time spent up to now is 1.4 secs Computing kpt #: 13 total cpu time spent up to now is 1.4 secs Computing kpt #: 14 total cpu time spent up to now is 1.5 secs Computing kpt #: 15 total cpu time spent up to now is 1.5 secs Computing kpt #: 16 total cpu time spent up to now is 1.5 secs Computing kpt #: 17 total cpu time spent up to now is 1.6 secs Computing kpt #: 18 total cpu time spent up to now is 1.6 secs Computing kpt #: 19 total cpu time spent up to now is 1.6 secs Computing kpt #: 20 total cpu time spent up to now is 1.7 secs Computing kpt #: 21 total cpu time spent up to now is 1.7 secs Computing kpt #: 22 total cpu time spent up to now is 1.7 secs Computing kpt #: 23 total cpu time spent up to now is 1.8 secs Computing kpt #: 24 total cpu time spent up to now is 1.8 secs Computing kpt #: 25 total cpu time spent up to now is 1.9 secs Computing kpt #: 26 total cpu time spent up to now is 1.9 secs Computing kpt #: 27 total cpu time spent up to now is 1.9 secs Computing kpt #: 28 total cpu time spent up to now is 2.0 secs Computing kpt #: 29 total cpu time spent up to now is 2.0 secs Computing kpt #: 30 total cpu time spent up to now is 2.0 secs Computing kpt #: 31 total cpu time spent up to now is 2.1 secs Computing kpt #: 32 total cpu time spent up to now is 2.1 secs Computing kpt #: 33 total cpu time spent up to now is 2.1 secs Computing kpt #: 34 total cpu time spent up to now is 2.2 secs Computing kpt #: 35 total cpu time spent up to now is 2.2 secs Computing kpt #: 36 total cpu time spent up to now is 2.3 secs Computing kpt #: 37 total cpu time spent up to now is 2.3 secs Computing kpt #: 38 total cpu time spent up to now is 2.3 secs Computing kpt #: 39 total cpu time spent up to now is 2.4 secs Computing kpt #: 40 total cpu time spent up to now is 2.4 secs Computing kpt #: 41 total cpu time spent up to now is 2.5 secs Computing kpt #: 42 total cpu time spent up to now is 2.5 secs Computing kpt #: 43 total cpu time spent up to now is 2.5 secs Computing kpt #: 44 total cpu time spent up to now is 2.6 secs Computing kpt #: 45 total cpu time spent up to now is 2.6 secs Computing kpt #: 46 total cpu time spent up to now is 2.6 secs Computing kpt #: 47 total cpu time spent up to now is 2.7 secs Computing kpt #: 48 total cpu time spent up to now is 2.7 secs Computing kpt #: 49 total cpu time spent up to now is 2.8 secs Computing kpt #: 50 total cpu time spent up to now is 2.8 secs Computing kpt #: 51 total cpu time spent up to now is 2.8 secs Computing kpt #: 52 total cpu time spent up to now is 2.9 secs Computing kpt #: 53 total cpu time spent up to now is 2.9 secs Computing kpt #: 54 total cpu time spent up to now is 2.9 secs Computing kpt #: 55 total cpu time spent up to now is 3.0 secs Computing kpt #: 56 total cpu time spent up to now is 3.0 secs Computing kpt #: 57 total cpu time spent up to now is 3.0 secs Computing kpt #: 58 total cpu time spent up to now is 3.1 secs Computing kpt #: 59 total cpu time spent up to now is 3.1 secs Computing kpt #: 60 total cpu time spent up to now is 3.1 secs Computing kpt #: 61 total cpu time spent up to now is 3.2 secs Computing kpt #: 62 total cpu time spent up to now is 3.2 secs Computing kpt #: 63 total cpu time spent up to now is 3.2 secs Computing kpt #: 64 total cpu time spent up to now is 3.3 secs Computing kpt #: 65 total cpu time spent up to now is 3.3 secs Computing kpt #: 66 total cpu time spent up to now is 3.3 secs Computing kpt #: 67 total cpu time spent up to now is 3.4 secs Computing kpt #: 68 total cpu time spent up to now is 3.4 secs Computing kpt #: 69 total cpu time spent up to now is 3.4 secs Computing kpt #: 70 total cpu time spent up to now is 3.5 secs Computing kpt #: 71 total cpu time spent up to now is 3.5 secs Computing kpt #: 72 total cpu time spent up to now is 3.6 secs Computing kpt #: 73 total cpu time spent up to now is 3.6 secs Computing kpt #: 74 total cpu time spent up to now is 3.7 secs Computing kpt #: 75 total cpu time spent up to now is 3.7 secs Computing kpt #: 76 total cpu time spent up to now is 3.8 secs Computing kpt #: 77 total cpu time spent up to now is 3.8 secs Computing kpt #: 78 total cpu time spent up to now is 3.8 secs Computing kpt #: 79 total cpu time spent up to now is 3.9 secs Computing kpt #: 80 total cpu time spent up to now is 3.9 secs Computing kpt #: 81 total cpu time spent up to now is 4.0 secs Computing kpt #: 82 total cpu time spent up to now is 4.0 secs Computing kpt #: 83 total cpu time spent up to now is 4.1 secs Computing kpt #: 84 total cpu time spent up to now is 4.1 secs Computing kpt #: 85 total cpu time spent up to now is 4.2 secs Computing kpt #: 86 total cpu time spent up to now is 4.2 secs Computing kpt #: 87 total cpu time spent up to now is 4.2 secs Computing kpt #: 88 total cpu time spent up to now is 4.3 secs Computing kpt #: 89 total cpu time spent up to now is 4.3 secs Computing kpt #: 90 total cpu time spent up to now is 4.4 secs Computing kpt #: 91 total cpu time spent up to now is 4.5 secs Computing kpt #: 92 total cpu time spent up to now is 4.5 secs Computing kpt #: 93 total cpu time spent up to now is 4.6 secs Computing kpt #: 94 total cpu time spent up to now is 4.6 secs Computing kpt #: 95 total cpu time spent up to now is 4.7 secs Computing kpt #: 96 total cpu time spent up to now is 4.7 secs Computing kpt #: 97 total cpu time spent up to now is 4.8 secs Computing kpt #: 98 total cpu time spent up to now is 4.8 secs Computing kpt #: 99 total cpu time spent up to now is 5.6 secs Computing kpt #: 100 total cpu time spent up to now is 5.6 secs Computing kpt #: 101 total cpu time spent up to now is 5.7 secs Computing kpt #: 102 total cpu time spent up to now is 5.8 secs Computing kpt #: 103 total cpu time spent up to now is 5.8 secs Computing kpt #: 104 total cpu time spent up to now is 5.9 secs Computing kpt #: 105 total cpu time spent up to now is 6.0 secs Computing kpt #: 106 total cpu time spent up to now is 6.0 secs Computing kpt #: 107 total cpu time spent up to now is 6.1 secs Computing kpt #: 108 total cpu time spent up to now is 6.1 secs Computing kpt #: 109 total cpu time spent up to now is 6.2 secs Computing kpt #: 110 total cpu time spent up to now is 6.2 secs Computing kpt #: 111 total cpu time spent up to now is 6.3 secs Computing kpt #: 112 total cpu time spent up to now is 6.3 secs Computing kpt #: 113 total cpu time spent up to now is 6.4 secs Computing kpt #: 114 total cpu time spent up to now is 6.5 secs Computing kpt #: 115 total cpu time spent up to now is 6.5 secs Computing kpt #: 116 total cpu time spent up to now is 6.5 secs Computing kpt #: 117 total cpu time spent up to now is 6.6 secs Computing kpt #: 118 total cpu time spent up to now is 6.7 secs Computing kpt #: 119 total cpu time spent up to now is 6.7 secs Computing kpt #: 120 total cpu time spent up to now is 6.7 secs Computing kpt #: 121 total cpu time spent up to now is 6.8 secs Computing kpt #: 122 total cpu time spent up to now is 6.8 secs Computing kpt #: 123 total cpu time spent up to now is 6.9 secs Computing kpt #: 124 total cpu time spent up to now is 6.9 secs Computing kpt #: 125 total cpu time spent up to now is 7.0 secs Computing kpt #: 126 total cpu time spent up to now is 7.0 secs Computing kpt #: 127 total cpu time spent up to now is 7.0 secs Computing kpt #: 128 total cpu time spent up to now is 7.1 secs Computing kpt #: 129 total cpu time spent up to now is 7.1 secs Computing kpt #: 130 total cpu time spent up to now is 7.2 secs Computing kpt #: 131 total cpu time spent up to now is 7.2 secs Computing kpt #: 132 total cpu time spent up to now is 7.2 secs Computing kpt #: 133 total cpu time spent up to now is 7.3 secs Computing kpt #: 134 total cpu time spent up to now is 7.3 secs Computing kpt #: 135 total cpu time spent up to now is 7.4 secs Computing kpt #: 136 total cpu time spent up to now is 7.4 secs Computing kpt #: 137 total cpu time spent up to now is 7.5 secs Computing kpt #: 138 total cpu time spent up to now is 7.5 secs Computing kpt #: 139 total cpu time spent up to now is 7.6 secs Computing kpt #: 140 total cpu time spent up to now is 7.7 secs Computing kpt #: 141 total cpu time spent up to now is 7.8 secs Computing kpt #: 142 total cpu time spent up to now is 7.8 secs Computing kpt #: 143 total cpu time spent up to now is 7.9 secs Computing kpt #: 144 total cpu time spent up to now is 8.0 secs Computing kpt #: 145 total cpu time spent up to now is 8.0 secs Computing kpt #: 146 total cpu time spent up to now is 8.1 secs Computing kpt #: 147 total cpu time spent up to now is 8.2 secs Computing kpt #: 148 total cpu time spent up to now is 8.2 secs Computing kpt #: 149 total cpu time spent up to now is 8.2 secs Computing kpt #: 150 total cpu time spent up to now is 8.3 secs Computing kpt #: 151 total cpu time spent up to now is 8.3 secs Computing kpt #: 152 total cpu time spent up to now is 8.4 secs Computing kpt #: 153 total cpu time spent up to now is 8.4 secs Computing kpt #: 154 total cpu time spent up to now is 8.4 secs Computing kpt #: 155 total cpu time spent up to now is 8.5 secs Computing kpt #: 156 total cpu time spent up to now is 8.5 secs Computing kpt #: 157 total cpu time spent up to now is 8.5 secs Computing kpt #: 158 total cpu time spent up to now is 8.6 secs Computing kpt #: 159 total cpu time spent up to now is 8.6 secs Computing kpt #: 160 total cpu time spent up to now is 8.6 secs Computing kpt #: 161 total cpu time spent up to now is 8.6 secs Computing kpt #: 162 total cpu time spent up to now is 8.7 secs Computing kpt #: 163 total cpu time spent up to now is 8.7 secs Computing kpt #: 164 total cpu time spent up to now is 8.7 secs Computing kpt #: 165 total cpu time spent up to now is 8.8 secs Computing kpt #: 166 total cpu time spent up to now is 8.8 secs Computing kpt #: 167 total cpu time spent up to now is 8.8 secs Computing kpt #: 168 total cpu time spent up to now is 8.9 secs Computing kpt #: 169 total cpu time spent up to now is 8.9 secs Computing kpt #: 170 total cpu time spent up to now is 8.9 secs Computing kpt #: 171 total cpu time spent up to now is 9.0 secs Computing kpt #: 172 total cpu time spent up to now is 9.0 secs Computing kpt #: 173 total cpu time spent up to now is 9.0 secs Computing kpt #: 174 total cpu time spent up to now is 9.0 secs Computing kpt #: 175 total cpu time spent up to now is 9.1 secs Computing kpt #: 176 total cpu time spent up to now is 9.1 secs Computing kpt #: 177 total cpu time spent up to now is 9.1 secs Computing kpt #: 178 total cpu time spent up to now is 9.2 secs Computing kpt #: 179 total cpu time spent up to now is 9.2 secs Computing kpt #: 180 total cpu time spent up to now is 9.2 secs Computing kpt #: 181 total cpu time spent up to now is 9.3 secs Computing kpt #: 182 total cpu time spent up to now is 9.3 secs Computing kpt #: 183 total cpu time spent up to now is 9.3 secs Computing kpt #: 184 total cpu time spent up to now is 9.3 secs Computing kpt #: 185 total cpu time spent up to now is 9.4 secs Computing kpt #: 186 total cpu time spent up to now is 9.4 secs Computing kpt #: 187 total cpu time spent up to now is 9.4 secs Computing kpt #: 188 total cpu time spent up to now is 9.5 secs Computing kpt #: 189 total cpu time spent up to now is 9.5 secs Computing kpt #: 190 total cpu time spent up to now is 9.5 secs Computing kpt #: 191 total cpu time spent up to now is 9.6 secs Computing kpt #: 192 total cpu time spent up to now is 9.6 secs Computing kpt #: 193 total cpu time spent up to now is 9.6 secs Computing kpt #: 194 total cpu time spent up to now is 9.7 secs Computing kpt #: 195 total cpu time spent up to now is 9.7 secs Computing kpt #: 196 total cpu time spent up to now is 9.7 secs Computing kpt #: 197 total cpu time spent up to now is 9.7 secs Computing kpt #: 198 total cpu time spent up to now is 9.8 secs Computing kpt #: 199 total cpu time spent up to now is 9.8 secs Computing kpt #: 200 total cpu time spent up to now is 9.8 secs Computing kpt #: 201 total cpu time spent up to now is 9.9 secs Computing kpt #: 202 total cpu time spent up to now is 9.9 secs Computing kpt #: 203 total cpu time spent up to now is 10.6 secs Computing kpt #: 204 total cpu time spent up to now is 10.6 secs Computing kpt #: 205 total cpu time spent up to now is 10.7 secs Computing kpt #: 206 total cpu time spent up to now is 10.7 secs Computing kpt #: 207 total cpu time spent up to now is 10.7 secs Computing kpt #: 208 total cpu time spent up to now is 10.7 secs Computing kpt #: 209 total cpu time spent up to now is 10.8 secs Computing kpt #: 210 total cpu time spent up to now is 10.8 secs Computing kpt #: 211 total cpu time spent up to now is 10.8 secs Computing kpt #: 212 total cpu time spent up to now is 10.9 secs Computing kpt #: 213 total cpu time spent up to now is 10.9 secs Computing kpt #: 214 total cpu time spent up to now is 10.9 secs Computing kpt #: 215 total cpu time spent up to now is 11.0 secs Computing kpt #: 216 total cpu time spent up to now is 11.0 secs Computing kpt #: 217 total cpu time spent up to now is 11.0 secs Computing kpt #: 218 total cpu time spent up to now is 11.1 secs Computing kpt #: 219 total cpu time spent up to now is 11.1 secs Computing kpt #: 220 total cpu time spent up to now is 11.1 secs Computing kpt #: 221 total cpu time spent up to now is 11.2 secs Computing kpt #: 222 total cpu time spent up to now is 11.2 secs Computing kpt #: 223 total cpu time spent up to now is 11.2 secs Computing kpt #: 224 total cpu time spent up to now is 11.3 secs Computing kpt #: 225 total cpu time spent up to now is 11.3 secs Computing kpt #: 226 total cpu time spent up to now is 11.3 secs Computing kpt #: 227 total cpu time spent up to now is 11.4 secs Computing kpt #: 228 total cpu time spent up to now is 11.4 secs Computing kpt #: 229 total cpu time spent up to now is 11.4 secs Computing kpt #: 230 total cpu time spent up to now is 11.5 secs Computing kpt #: 231 total cpu time spent up to now is 11.5 secs Computing kpt #: 232 total cpu time spent up to now is 11.6 secs Computing kpt #: 233 total cpu time spent up to now is 11.6 secs Computing kpt #: 234 total cpu time spent up to now is 11.6 secs Computing kpt #: 235 total cpu time spent up to now is 11.7 secs Computing kpt #: 236 total cpu time spent up to now is 11.7 secs Computing kpt #: 237 total cpu time spent up to now is 11.7 secs Computing kpt #: 238 total cpu time spent up to now is 11.8 secs Computing kpt #: 239 total cpu time spent up to now is 11.8 secs Computing kpt #: 240 total cpu time spent up to now is 11.8 secs Computing kpt #: 241 total cpu time spent up to now is 11.8 secs Computing kpt #: 242 total cpu time spent up to now is 11.9 secs Computing kpt #: 243 total cpu time spent up to now is 11.9 secs Computing kpt #: 244 total cpu time spent up to now is 11.9 secs Computing kpt #: 245 total cpu time spent up to now is 12.0 secs Computing kpt #: 246 total cpu time spent up to now is 12.0 secs Computing kpt #: 247 total cpu time spent up to now is 12.0 secs Computing kpt #: 248 total cpu time spent up to now is 12.1 secs Computing kpt #: 249 total cpu time spent up to now is 12.1 secs Computing kpt #: 250 total cpu time spent up to now is 12.1 secs Computing kpt #: 251 total cpu time spent up to now is 12.2 secs Computing kpt #: 252 total cpu time spent up to now is 12.2 secs Computing kpt #: 253 total cpu time spent up to now is 12.2 secs Computing kpt #: 254 total cpu time spent up to now is 12.3 secs Computing kpt #: 255 total cpu time spent up to now is 12.3 secs Computing kpt #: 256 total cpu time spent up to now is 12.3 secs Computing kpt #: 257 total cpu time spent up to now is 12.4 secs Computing kpt #: 258 total cpu time spent up to now is 12.4 secs Computing kpt #: 259 total cpu time spent up to now is 12.4 secs Computing kpt #: 260 total cpu time spent up to now is 12.5 secs Computing kpt #: 261 total cpu time spent up to now is 12.5 secs Computing kpt #: 262 total cpu time spent up to now is 12.5 secs Computing kpt #: 263 total cpu time spent up to now is 12.6 secs Computing kpt #: 264 total cpu time spent up to now is 12.6 secs Computing kpt #: 265 total cpu time spent up to now is 12.6 secs Computing kpt #: 266 total cpu time spent up to now is 12.7 secs Computing kpt #: 267 total cpu time spent up to now is 12.7 secs Computing kpt #: 268 total cpu time spent up to now is 12.7 secs Computing kpt #: 269 total cpu time spent up to now is 12.8 secs Computing kpt #: 270 total cpu time spent up to now is 12.8 secs Computing kpt #: 271 total cpu time spent up to now is 12.8 secs Computing kpt #: 272 total cpu time spent up to now is 12.9 secs Computing kpt #: 273 total cpu time spent up to now is 12.9 secs Computing kpt #: 274 total cpu time spent up to now is 12.9 secs Computing kpt #: 275 total cpu time spent up to now is 13.0 secs Computing kpt #: 276 total cpu time spent up to now is 13.0 secs Computing kpt #: 277 total cpu time spent up to now is 13.0 secs Computing kpt #: 278 total cpu time spent up to now is 13.1 secs Computing kpt #: 279 total cpu time spent up to now is 13.1 secs Computing kpt #: 280 total cpu time spent up to now is 13.1 secs Computing kpt #: 281 total cpu time spent up to now is 13.2 secs Computing kpt #: 282 total cpu time spent up to now is 13.2 secs Computing kpt #: 283 total cpu time spent up to now is 13.2 secs Computing kpt #: 284 total cpu time spent up to now is 13.3 secs Computing kpt #: 285 total cpu time spent up to now is 13.3 secs Computing kpt #: 286 total cpu time spent up to now is 13.3 secs Computing kpt #: 287 total cpu time spent up to now is 13.4 secs Computing kpt #: 288 total cpu time spent up to now is 13.4 secs Computing kpt #: 289 total cpu time spent up to now is 13.4 secs Computing kpt #: 290 total cpu time spent up to now is 13.5 secs Computing kpt #: 291 total cpu time spent up to now is 13.5 secs Computing kpt #: 292 total cpu time spent up to now is 13.5 secs Computing kpt #: 293 total cpu time spent up to now is 13.6 secs Computing kpt #: 294 total cpu time spent up to now is 13.6 secs Computing kpt #: 295 total cpu time spent up to now is 13.6 secs Computing kpt #: 296 total cpu time spent up to now is 13.7 secs Computing kpt #: 297 total cpu time spent up to now is 13.7 secs Computing kpt #: 298 total cpu time spent up to now is 13.7 secs Computing kpt #: 299 total cpu time spent up to now is 13.8 secs Computing kpt #: 300 total cpu time spent up to now is 13.8 secs Computing kpt #: 301 total cpu time spent up to now is 13.8 secs Computing kpt #: 302 total cpu time spent up to now is 13.9 secs Computing kpt #: 303 total cpu time spent up to now is 13.9 secs Computing kpt #: 304 total cpu time spent up to now is 13.9 secs Computing kpt #: 305 total cpu time spent up to now is 14.0 secs Computing kpt #: 306 total cpu time spent up to now is 14.0 secs Computing kpt #: 307 total cpu time spent up to now is 14.0 secs Computing kpt #: 308 total cpu time spent up to now is 14.1 secs Computing kpt #: 309 total cpu time spent up to now is 14.1 secs Computing kpt #: 310 total cpu time spent up to now is 14.1 secs Computing kpt #: 311 total cpu time spent up to now is 14.2 secs Computing kpt #: 312 total cpu time spent up to now is 14.2 secs Computing kpt #: 313 total cpu time spent up to now is 14.2 secs Computing kpt #: 314 total cpu time spent up to now is 14.3 secs Computing kpt #: 315 total cpu time spent up to now is 14.3 secs Computing kpt #: 316 total cpu time spent up to now is 14.3 secs Computing kpt #: 317 total cpu time spent up to now is 14.4 secs Computing kpt #: 318 total cpu time spent up to now is 14.4 secs Computing kpt #: 319 total cpu time spent up to now is 14.4 secs Computing kpt #: 320 total cpu time spent up to now is 14.5 secs Computing kpt #: 321 total cpu time spent up to now is 14.5 secs Computing kpt #: 322 total cpu time spent up to now is 14.5 secs Computing kpt #: 323 total cpu time spent up to now is 14.6 secs Computing kpt #: 324 total cpu time spent up to now is 14.6 secs Computing kpt #: 325 total cpu time spent up to now is 14.7 secs Computing kpt #: 326 total cpu time spent up to now is 14.7 secs Computing kpt #: 327 total cpu time spent up to now is 14.8 secs Computing kpt #: 328 total cpu time spent up to now is 14.8 secs Computing kpt #: 329 total cpu time spent up to now is 14.9 secs Computing kpt #: 330 total cpu time spent up to now is 14.9 secs Computing kpt #: 331 total cpu time spent up to now is 15.1 secs Computing kpt #: 332 total cpu time spent up to now is 15.1 secs Computing kpt #: 333 total cpu time spent up to now is 15.1 secs Computing kpt #: 334 total cpu time spent up to now is 15.2 secs Computing kpt #: 335 total cpu time spent up to now is 15.2 secs Computing kpt #: 336 total cpu time spent up to now is 15.3 secs Computing kpt #: 337 total cpu time spent up to now is 15.3 secs Computing kpt #: 338 total cpu time spent up to now is 15.4 secs Computing kpt #: 339 total cpu time spent up to now is 15.4 secs Computing kpt #: 340 total cpu time spent up to now is 15.4 secs Computing kpt #: 341 total cpu time spent up to now is 15.5 secs Computing kpt #: 342 total cpu time spent up to now is 15.5 secs Computing kpt #: 343 total cpu time spent up to now is 15.6 secs Computing kpt #: 344 total cpu time spent up to now is 15.6 secs Computing kpt #: 345 total cpu time spent up to now is 15.6 secs Computing kpt #: 346 total cpu time spent up to now is 15.7 secs Computing kpt #: 347 total cpu time spent up to now is 15.7 secs Computing kpt #: 348 total cpu time spent up to now is 15.7 secs Computing kpt #: 349 total cpu time spent up to now is 15.8 secs Computing kpt #: 350 total cpu time spent up to now is 15.8 secs Computing kpt #: 351 total cpu time spent up to now is 15.8 secs Computing kpt #: 352 total cpu time spent up to now is 15.9 secs Computing kpt #: 353 total cpu time spent up to now is 15.9 secs Computing kpt #: 354 total cpu time spent up to now is 15.9 secs Computing kpt #: 355 total cpu time spent up to now is 16.0 secs Computing kpt #: 356 total cpu time spent up to now is 16.1 secs Computing kpt #: 357 total cpu time spent up to now is 16.1 secs Computing kpt #: 358 total cpu time spent up to now is 16.2 secs Computing kpt #: 359 total cpu time spent up to now is 16.3 secs Computing kpt #: 360 total cpu time spent up to now is 16.3 secs Computing kpt #: 361 total cpu time spent up to now is 16.4 secs Computing kpt #: 362 total cpu time spent up to now is 16.4 secs Computing kpt #: 363 total cpu time spent up to now is 16.5 secs Computing kpt #: 364 total cpu time spent up to now is 16.5 secs Computing kpt #: 365 total cpu time spent up to now is 16.5 secs Computing kpt #: 366 total cpu time spent up to now is 16.6 secs Computing kpt #: 367 total cpu time spent up to now is 16.6 secs Computing kpt #: 368 total cpu time spent up to now is 16.7 secs Computing kpt #: 369 total cpu time spent up to now is 16.7 secs Computing kpt #: 370 total cpu time spent up to now is 16.7 secs Computing kpt #: 371 total cpu time spent up to now is 16.8 secs Computing kpt #: 372 total cpu time spent up to now is 16.8 secs Computing kpt #: 373 total cpu time spent up to now is 16.8 secs Computing kpt #: 374 total cpu time spent up to now is 16.9 secs Computing kpt #: 375 total cpu time spent up to now is 16.9 secs Computing kpt #: 376 total cpu time spent up to now is 16.9 secs Computing kpt #: 377 total cpu time spent up to now is 17.0 secs Computing kpt #: 378 total cpu time spent up to now is 17.0 secs Computing kpt #: 379 total cpu time spent up to now is 17.0 secs Computing kpt #: 380 total cpu time spent up to now is 17.1 secs Computing kpt #: 381 total cpu time spent up to now is 17.1 secs Computing kpt #: 382 total cpu time spent up to now is 17.1 secs Computing kpt #: 383 total cpu time spent up to now is 17.2 secs Computing kpt #: 384 total cpu time spent up to now is 17.2 secs Computing kpt #: 385 total cpu time spent up to now is 17.2 secs Computing kpt #: 386 total cpu time spent up to now is 17.3 secs Computing kpt #: 387 total cpu time spent up to now is 17.3 secs Computing kpt #: 388 total cpu time spent up to now is 17.3 secs Computing kpt #: 389 total cpu time spent up to now is 17.4 secs Computing kpt #: 390 total cpu time spent up to now is 17.4 secs Computing kpt #: 391 total cpu time spent up to now is 17.4 secs Computing kpt #: 392 total cpu time spent up to now is 17.5 secs Computing kpt #: 393 total cpu time spent up to now is 17.5 secs Computing kpt #: 394 total cpu time spent up to now is 17.5 secs Computing kpt #: 395 total cpu time spent up to now is 17.6 secs Computing kpt #: 396 total cpu time spent up to now is 17.6 secs Computing kpt #: 397 total cpu time spent up to now is 17.6 secs Computing kpt #: 398 total cpu time spent up to now is 17.6 secs Computing kpt #: 399 total cpu time spent up to now is 17.7 secs Computing kpt #: 400 total cpu time spent up to now is 17.7 secs Computing kpt #: 401 total cpu time spent up to now is 17.7 secs Computing kpt #: 402 total cpu time spent up to now is 17.8 secs Computing kpt #: 403 total cpu time spent up to now is 17.8 secs Computing kpt #: 404 total cpu time spent up to now is 17.8 secs Computing kpt #: 405 total cpu time spent up to now is 17.9 secs Computing kpt #: 406 total cpu time spent up to now is 17.9 secs Computing kpt #: 407 total cpu time spent up to now is 17.9 secs ethr = 1.67E-07, avg # of iterations = 12.5 total cpu time spent up to now is 17.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 341 PWs) bands (ev): -9.6561 -9.6561 5.9200 5.9200 6.4414 6.4414 6.4414 6.4414 12.1901 12.1901 13.2108 13.2108 13.2108 13.2108 k = 0.0000 0.0094-0.0000 ( 341 PWs) bands (ev): -9.6550 -9.6550 5.9167 5.9167 6.4335 6.4335 6.4422 6.4422 12.1959 12.1959 13.2119 13.2119 13.2208 13.2208 k = 0.0000 0.0189-0.0000 ( 341 PWs) bands (ev): -9.6520 -9.6520 5.9062 5.9062 6.4108 6.4108 6.4446 6.4446 12.2128 12.2128 13.2154 13.2154 13.2512 13.2512 k = 0.0000 0.0283-0.0000 ( 341 PWs) bands (ev): -9.6469 -9.6469 5.8862 5.8862 6.3766 6.3766 6.4485 6.4485 12.2393 12.2393 13.2213 13.2213 13.3024 13.3024 k = 0.0000 0.0377-0.0000 ( 341 PWs) bands (ev): -9.6399 -9.6399 5.8528 5.8528 6.3361 6.3361 6.4540 6.4540 12.2731 12.2731 13.2294 13.2294 13.3752 13.3752 k = 0.0000 0.0472-0.0000 ( 341 PWs) bands (ev): -9.6308 -9.6308 5.8012 5.8012 6.2962 6.2962 6.4611 6.4611 12.3118 12.3118 13.2399 13.2399 13.4702 13.4702 k = 0.0000 0.0566-0.0000 ( 341 PWs) bands (ev): -9.6197 -9.6197 5.7271 5.7271 6.2629 6.2629 6.4697 6.4697 12.3533 12.3533 13.2526 13.2526 13.5873 13.5873 k = 0.0000 0.0660-0.0000 ( 337 PWs) bands (ev): -9.6067 -9.6067 5.6295 5.6295 6.2395 6.2395 6.4798 6.4798 12.3961 12.3961 13.2677 13.2677 13.7300 13.7300 k = 0.0000 0.0755-0.0000 ( 337 PWs) bands (ev): -9.5917 -9.5917 5.5105 5.5105 6.2260 6.2260 6.4915 6.4915 12.4392 12.4392 13.2850 13.2850 13.8887 13.8887 k = 0.0000 0.0849-0.0000 ( 341 PWs) bands (ev): -9.5747 -9.5747 5.3736 5.3736 6.2206 6.2206 6.5046 6.5046 12.4822 12.4822 13.3041 13.3041 14.0659 14.0659 k = 0.0000 0.0943-0.0000 ( 341 PWs) bands (ev): -9.5559 -9.5559 5.2227 5.2227 6.2215 6.2215 6.5191 6.5191 12.5253 12.5253 13.3259 13.3259 14.2593 14.2593 k = 0.0000 0.1038-0.0000 ( 341 PWs) bands (ev): -9.5351 -9.5351 5.0608 5.0608 6.2271 6.2271 6.5351 6.5351 12.5685 12.5685 13.3499 13.3499 14.4670 14.4670 k = 0.0000 0.1132-0.0000 ( 341 PWs) bands (ev): -9.5125 -9.5125 4.8903 4.8903 6.2365 6.2365 6.5525 6.5525 12.6123 12.6123 13.3762 13.3762 14.6870 14.6870 k = 0.0000 0.1226-0.0000 ( 341 PWs) bands (ev): -9.4881 -9.4881 4.7133 4.7133 6.2489 6.2489 6.5712 6.5712 12.6569 12.6569 13.4045 13.4045 14.9173 14.9173 k = 0.0000 0.1321-0.0000 ( 341 PWs) bands (ev): -9.4619 -9.4619 4.5313 4.5313 6.2638 6.2638 6.5912 6.5912 12.7027 12.7027 13.4351 13.4351 15.1561 15.1561 k = 0.0000 0.1415-0.0000 ( 341 PWs) bands (ev): -9.4339 -9.4339 4.3457 4.3457 6.2807 6.2807 6.6125 6.6125 12.7498 12.7498 13.4677 13.4677 15.4018 15.4018 k = 0.0000 0.1509-0.0000 ( 341 PWs) bands (ev): -9.4042 -9.4042 4.1574 4.1574 6.2995 6.2995 6.6350 6.6350 12.7985 12.7985 13.5023 13.5023 15.6527 15.6527 k = 0.0000 0.1604-0.0000 ( 341 PWs) bands (ev): -9.3729 -9.3729 3.9675 3.9675 6.3199 6.3199 6.6587 6.6587 12.8490 12.8490 13.5390 13.5390 15.9071 15.9071 k = 0.0000 0.1698-0.0000 ( 341 PWs) bands (ev): -9.3400 -9.3400 3.7767 3.7767 6.3418 6.3418 6.6835 6.6835 12.9014 12.9014 13.5776 13.5776 16.1635 16.1635 k = 0.0000 0.1792-0.0000 ( 341 PWs) bands (ev): -9.3056 -9.3056 3.5856 3.5856 6.3650 6.3650 6.7093 6.7093 12.9558 12.9558 13.6182 13.6182 16.4201 16.4201 k = 0.0000 0.1887-0.0000 ( 337 PWs) bands (ev): -9.2697 -9.2697 3.3949 3.3949 6.3894 6.3894 6.7361 6.7361 13.0130 13.0130 13.6606 13.6606 16.6796 16.6796 k = 0.0000 0.1981-0.0000 ( 341 PWs) bands (ev): -9.2324 -9.2324 3.2047 3.2047 6.4148 6.4148 6.7638 6.7638 13.0712 13.0712 13.7046 13.7046 16.9295 16.9295 k = 0.0000 0.2075-0.0000 ( 341 PWs) bands (ev): -9.1938 -9.1938 3.0162 3.0162 6.4412 6.4412 6.7924 6.7924 13.1322 13.1322 13.7504 13.7504 17.1749 17.1749 k = 0.0000 0.2170-0.0000 ( 341 PWs) bands (ev): -9.1540 -9.1540 2.8294 2.8294 6.4685 6.4685 6.8217 6.8217 13.1954 13.1954 13.7980 13.7980 17.4119 17.4119 k = 0.0000 0.2264-0.0000 ( 333 PWs) bands (ev): -9.1130 -9.1130 2.6448 2.6448 6.4967 6.4967 6.8519 6.8519 13.2615 13.2615 13.8529 13.8529 17.6387 17.6387 k = 0.0000 0.2358-0.0000 ( 333 PWs) bands (ev): -9.0710 -9.0710 2.4625 2.4625 6.5253 6.5253 6.8824 6.8824 13.3293 13.3293 13.9035 13.9035 17.8501 17.8501 k = 0.0000 0.2453-0.0000 ( 329 PWs) bands (ev): -9.0280 -9.0280 2.2831 2.2831 6.5545 6.5545 6.9136 6.9136 13.3995 13.3995 13.9554 13.9554 18.0445 18.0445 k = 0.0000 0.2547-0.0000 ( 329 PWs) bands (ev): -8.9842 -8.9842 2.1067 2.1067 6.5841 6.5841 6.9450 6.9450 13.4720 13.4720 14.0085 14.0085 18.2171 18.2171 k = 0.0000 0.2642-0.0000 ( 329 PWs) bands (ev): -8.9396 -8.9396 1.9337 1.9337 6.6141 6.6141 6.9768 6.9768 13.5467 13.5467 14.0628 14.0628 18.3653 18.3653 k = 0.0000 0.2736-0.0000 ( 329 PWs) bands (ev): -8.8945 -8.8945 1.7643 1.7643 6.6442 6.6442 7.0087 7.0087 13.6237 13.6237 14.1180 14.1180 18.4866 18.4866 k = 0.0000 0.2830-0.0000 ( 329 PWs) bands (ev): -8.8490 -8.8490 1.5989 1.5989 6.6745 6.6745 7.0408 7.0408 13.7030 13.7030 14.1741 14.1741 18.5792 18.5792 k = 0.0000 0.2925-0.0000 ( 329 PWs) bands (ev): -8.8032 -8.8032 1.4376 1.4376 6.7047 6.7047 7.0728 7.0728 13.7845 13.7845 14.2309 14.2309 18.6424 18.6424 k = 0.0000 0.3019-0.0000 ( 332 PWs) bands (ev): -8.7572 -8.7572 1.2809 1.2809 6.7347 6.7347 7.1046 7.1046 13.8681 13.8681 14.2882 14.2882 18.6769 18.6769 k = 0.0000 0.3113-0.0000 ( 332 PWs) bands (ev): -8.7113 -8.7113 1.1288 1.1288 6.7646 6.7646 7.1361 7.1361 13.9539 13.9539 14.3458 14.3458 18.6843 18.6843 k = 0.0000 0.3208-0.0000 ( 332 PWs) bands (ev): -8.6655 -8.6655 0.9817 0.9817 6.7941 6.7941 7.1673 7.1673 14.0418 14.0418 14.4035 14.4035 18.6674 18.6674 k = 0.0000 0.3302-0.0000 ( 340 PWs) bands (ev): -8.6202 -8.6202 0.8394 0.8394 6.8230 6.8230 7.1980 7.1980 14.1307 14.1307 14.4608 14.4608 18.6284 18.6284 k = 0.0000 0.3396-0.0000 ( 340 PWs) bands (ev): -8.5755 -8.5755 0.7031 0.7031 6.8514 6.8514 7.2280 7.2280 14.2224 14.2224 14.5180 14.5180 18.5720 18.5720 k = 0.0000 0.3491-0.0000 ( 332 PWs) bands (ev): -8.5316 -8.5316 0.5726 0.5726 6.8792 6.8792 7.2574 7.2574 14.3159 14.3159 14.5754 14.5754 18.5004 18.5004 k = 0.0000 0.3585-0.0000 ( 332 PWs) bands (ev): -8.4887 -8.4887 0.4480 0.4480 6.9059 6.9059 7.2856 7.2856 14.4109 14.4109 14.6311 14.6311 18.4165 18.4165 k = 0.0000 0.3679-0.0000 ( 332 PWs) bands (ev): -8.4470 -8.4470 0.3298 0.3298 6.9317 6.9317 7.3129 7.3129 14.5073 14.5073 14.6856 14.6856 18.3229 18.3229 k = 0.0000 0.3774-0.0000 ( 332 PWs) bands (ev): -8.4068 -8.4068 0.2182 0.2182 6.9563 6.9563 7.3390 7.3390 14.6049 14.6049 14.7386 14.7386 18.2218 18.2218 k = 0.0000 0.3868-0.0000 ( 332 PWs) bands (ev): -8.3683 -8.3683 0.1134 0.1134 6.9796 6.9796 7.3637 7.3637 14.7034 14.7034 14.7897 14.7897 18.1151 18.1151 k = 0.0000 0.3962-0.0000 ( 332 PWs) bands (ev): -8.3318 -8.3318 0.0158 0.0158 7.0016 7.0016 7.3870 7.3870 14.8024 14.8024 14.8387 14.8387 18.0048 18.0048 k = 0.0000 0.4057-0.0000 ( 332 PWs) bands (ev): -8.2974 -8.2974 -0.0745 -0.0745 7.0222 7.0222 7.4088 7.4088 14.8851 14.8851 14.9014 14.9014 17.8924 17.8924 k = 0.0000 0.4151-0.0000 ( 332 PWs) bands (ev): -8.2655 -8.2655 -0.1570 -0.1570 7.0411 7.0411 7.4289 7.4289 14.9286 14.9286 15.0000 15.0000 17.7795 17.7795 k = 0.0000 0.4245-0.0000 ( 336 PWs) bands (ev): -8.2362 -8.2362 -0.2317 -0.2317 7.0583 7.0583 7.4471 7.4471 14.9649 14.9649 15.0970 15.0970 17.6676 17.6676 k = 0.0000 0.4340-0.0000 ( 336 PWs) bands (ev): -8.2097 -8.2097 -0.2983 -0.2983 7.0737 7.0737 7.4635 7.4635 15.0014 15.0014 15.1918 15.1918 17.5586 17.5586 k = 0.0000 0.4434-0.0000 ( 336 PWs) bands (ev): -8.1863 -8.1863 -0.3564 -0.3564 7.0873 7.0873 7.4779 7.4779 15.0338 15.0338 15.2828 15.2828 17.4544 17.4544 k = 0.0000 0.4528-0.0000 ( 336 PWs) bands (ev): -8.1662 -8.1662 -0.4060 -0.4060 7.0990 7.0990 7.4903 7.4903 15.0619 15.0619 15.3682 15.3682 17.3572 17.3572 k = 0.0000 0.4623-0.0000 ( 336 PWs) bands (ev): -8.1495 -8.1495 -0.4468 -0.4468 7.1086 7.1086 7.5005 7.5005 15.0853 15.0853 15.4455 15.4455 17.2698 17.2698 k = 0.0000 0.4717-0.0000 ( 336 PWs) bands (ev): -8.1363 -8.1363 -0.4787 -0.4787 7.1161 7.1161 7.5085 7.5085 15.1038 15.1038 15.5117 15.5117 17.1956 17.1956 k = 0.0000 0.4811-0.0000 ( 336 PWs) bands (ev): -8.1268 -8.1268 -0.5016 -0.5016 7.1215 7.1215 7.5142 7.5142 15.1172 15.1172 15.5630 15.5630 17.1383 17.1383 k = 0.0000 0.4906-0.0000 ( 336 PWs) bands (ev): -8.1211 -8.1211 -0.5154 -0.5154 7.1248 7.1248 7.5177 7.5177 15.1253 15.1253 15.5958 15.5958 17.1019 17.1019 k = 0.0000 0.5000-0.0000 ( 336 PWs) bands (ev): -8.1192 -8.1192 -0.5200 -0.5200 7.1259 7.1259 7.5189 7.5189 15.1280 15.1280 15.6071 15.6071 17.0894 17.0894 k = 0.0000 0.5000-0.0000 ( 336 PWs) bands (ev): -8.1192 -8.1192 -0.5200 -0.5200 7.1259 7.1259 7.5189 7.5189 15.1280 15.1280 15.6071 15.6071 17.0894 17.0894 k = 0.0094 0.5000-0.0000 ( 336 PWs) bands (ev): -8.1182 -8.1182 -0.5190 -0.5190 7.1215 7.1215 7.5143 7.5143 15.1351 15.1351 15.6138 15.6138 17.0590 17.0590 k = 0.0189 0.5000-0.0000 ( 336 PWs) bands (ev): -8.1152 -8.1152 -0.5159 -0.5159 7.1077 7.1077 7.5015 7.5015 15.1553 15.1553 15.6345 15.6345 16.9729 16.9729 k = 0.0283 0.5000-0.0000 ( 336 PWs) bands (ev): -8.1103 -8.1103 -0.5108 -0.5108 7.0823 7.0823 7.4832 7.4832 15.1862 15.1862 15.6714 15.6714 16.8431 16.8431 k = 0.0377 0.5000-0.0000 ( 334 PWs) bands (ev): -8.1034 -8.1034 -0.5036 -0.5036 7.0425 7.0425 7.4630 7.4630 15.2258 15.2258 15.7277 15.7277 16.6817 16.6817 k = 0.0472 0.5000-0.0000 ( 330 PWs) bands (ev): -8.0945 -8.0945 -0.4944 -0.4944 6.9855 6.9855 7.4449 7.4449 15.2660 15.2660 15.8061 15.8061 16.4983 16.4983 k = 0.0566 0.5000-0.0000 ( 330 PWs) bands (ev): -8.0837 -8.0837 -0.4832 -0.4832 6.9101 6.9101 7.4313 7.4313 15.3058 15.3058 15.9073 15.9073 16.2997 16.2997 k = 0.0660 0.5000-0.0000 ( 330 PWs) bands (ev): -8.0709 -8.0709 -0.4700 -0.4700 6.8166 6.8166 7.4234 7.4234 15.3435 15.3435 16.0239 16.0239 16.0988 16.0988 k = 0.0755 0.5000-0.0000 ( 330 PWs) bands (ev): -8.0562 -8.0562 -0.4549 -0.4549 6.7070 6.7070 7.4207 7.4207 15.3792 15.3792 15.8679 15.8679 16.1851 16.1851 k = 0.0849 0.5000-0.0000 ( 330 PWs) bands (ev): -8.0397 -8.0397 -0.4377 -0.4377 6.5834 6.5834 7.4224 7.4224 15.4135 15.4135 15.6463 15.6463 16.3521 16.3521 k = 0.0943 0.5000-0.0000 ( 330 PWs) bands (ev): -8.0212 -8.0212 -0.4186 -0.4186 6.4480 6.4480 7.4279 7.4279 15.4197 15.4197 15.4479 15.4479 16.5377 16.5377 k = 0.1038 0.5000-0.0000 ( 334 PWs) bands (ev): -8.0009 -8.0009 -0.3977 -0.3977 6.3023 6.3023 7.4363 7.4363 15.1911 15.1911 15.4800 15.4800 16.7372 16.7372 k = 0.1132 0.5000-0.0000 ( 334 PWs) bands (ev): -7.9788 -7.9788 -0.3748 -0.3748 6.1490 6.1490 7.4473 7.4473 14.9618 14.9618 15.5147 15.5147 16.9522 16.9522 k = 0.1226 0.5000-0.0000 ( 334 PWs) bands (ev): -7.9550 -7.9550 -0.3501 -0.3501 5.9891 5.9891 7.4604 7.4604 14.7323 14.7323 15.5505 15.5505 17.1793 17.1793 k = 0.1321 0.5000-0.0000 ( 338 PWs) bands (ev): -7.9293 -7.9293 -0.3237 -0.3237 5.8236 5.8236 7.4754 7.4754 14.5019 14.5019 15.5875 15.5875 17.4166 17.4166 k = 0.1415 0.5000-0.0000 ( 338 PWs) bands (ev): -7.9020 -7.9020 -0.2954 -0.2954 5.6541 5.6541 7.4921 7.4921 14.2738 14.2738 15.6263 15.6263 17.6631 17.6631 k = 0.1509 0.5000-0.0000 ( 338 PWs) bands (ev): -7.8731 -7.8731 -0.2655 -0.2655 5.4814 5.4814 7.5102 7.5102 14.0473 14.0473 15.6669 15.6669 17.9173 17.9173 k = 0.1604 0.5000-0.0000 ( 334 PWs) bands (ev): -7.8425 -7.8425 -0.2339 -0.2339 5.3062 5.3062 7.5297 7.5297 13.8228 13.8228 15.7104 15.7104 18.1827 18.1827 k = 0.1698 0.5000-0.0000 ( 334 PWs) bands (ev): -7.8104 -7.8104 -0.2007 -0.2007 5.1294 5.1294 7.5505 7.5505 13.6004 13.6004 15.7547 15.7547 18.4487 18.4487 k = 0.1792 0.5000-0.0000 ( 334 PWs) bands (ev): -7.7768 -7.7768 -0.1659 -0.1659 4.9517 4.9517 7.5723 7.5723 13.3806 13.3806 15.8009 15.8009 18.7187 18.7187 k = 0.1887 0.5000-0.0000 ( 334 PWs) bands (ev): -7.7418 -7.7418 -0.1297 -0.1297 4.7736 4.7736 7.5951 7.5951 13.1636 13.1636 15.8491 15.8491 18.9055 18.9055 k = 0.1981 0.5000-0.0000 ( 338 PWs) bands (ev): -7.7054 -7.7054 -0.0921 -0.0921 4.5957 4.5957 7.6188 7.6188 12.9492 12.9492 15.8989 15.8989 18.9469 18.9469 k = 0.2075 0.5000-0.0000 ( 338 PWs) bands (ev): -7.6678 -7.6678 -0.0532 -0.0532 4.4185 4.4185 7.6434 7.6434 12.7385 12.7385 15.9509 15.9509 18.9934 18.9934 k = 0.2170 0.5000-0.0000 ( 338 PWs) bands (ev): -7.6290 -7.6290 -0.0131 -0.0131 4.2424 4.2424 7.6687 7.6687 12.5314 12.5314 16.0049 16.0049 19.0417 19.0417 k = 0.2264 0.5000-0.0000 ( 342 PWs) bands (ev): -7.5890 -7.5890 0.0282 0.0282 4.0675 4.0675 7.6947 7.6947 12.3279 12.3279 16.0605 16.0605 19.0915 19.0915 k = 0.2358 0.5000-0.0000 ( 342 PWs) bands (ev): -7.5481 -7.5481 0.0704 0.0704 3.8949 3.8949 7.7212 7.7212 12.1284 12.1284 16.1181 16.1181 19.1429 19.1429 k = 0.2453 0.5000-0.0000 ( 342 PWs) bands (ev): -7.5063 -7.5063 0.1137 0.1137 3.7246 3.7246 7.7481 7.7481 11.9331 11.9331 16.1774 16.1774 19.1957 19.1957 k = 0.2547 0.5000-0.0000 ( 342 PWs) bands (ev): -7.4637 -7.4637 0.1577 0.1577 3.5569 3.5569 7.7754 7.7754 11.7419 11.7419 16.2385 16.2385 19.2498 19.2498 k = 0.2642 0.5000-0.0000 ( 342 PWs) bands (ev): -7.4204 -7.4204 0.2024 0.2024 3.3922 3.3922 7.8029 7.8029 11.5553 11.5553 16.3011 16.3011 19.3050 19.3050 k = 0.2736 0.5000-0.0000 ( 340 PWs) bands (ev): -7.3765 -7.3765 0.2476 0.2476 3.2308 3.2308 7.8307 7.8307 11.3734 11.3734 16.3658 16.3658 19.3613 19.3613 k = 0.2830 0.5000-0.0000 ( 340 PWs) bands (ev): -7.3323 -7.3323 0.2932 0.2932 3.0729 3.0729 7.8584 7.8584 11.1963 11.1963 16.4312 16.4312 19.4185 19.4185 k = 0.2925 0.5000-0.0000 ( 336 PWs) bands (ev): -7.2877 -7.2877 0.3392 0.3392 2.9189 2.9189 7.8861 7.8861 11.0253 11.0253 16.4987 16.4987 19.4774 19.4774 k = 0.3019 0.5000-0.0000 ( 336 PWs) bands (ev): -7.2431 -7.2431 0.3851 0.3851 2.7690 2.7690 7.9137 7.9137 10.8585 10.8585 16.5664 16.5664 19.5358 19.5358 k = 0.3113 0.5000-0.0000 ( 340 PWs) bands (ev): -7.1986 -7.1986 0.4309 0.4309 2.6235 2.6235 7.9410 7.9410 10.6968 10.6968 16.6348 16.6348 19.5933 19.5933 k = 0.3208 0.5000-0.0000 ( 340 PWs) bands (ev): -7.1543 -7.1543 0.4764 0.4764 2.4828 2.4828 7.9679 7.9679 10.5412 10.5412 16.7042 16.7042 19.6523 19.6523 k = 0.3302 0.5000-0.0000 ( 340 PWs) bands (ev): -7.1103 -7.1103 0.5214 0.5214 2.3471 2.3471 7.9943 7.9943 10.3914 10.3914 16.7741 16.7741 19.7112 19.7112 k = 0.3396 0.5000-0.0000 ( 340 PWs) bands (ev): -7.0670 -7.0670 0.5657 0.5657 2.2168 2.2168 8.0201 8.0201 10.2477 10.2477 16.8443 16.8443 19.7699 19.7699 k = 0.3491 0.5000-0.0000 ( 340 PWs) bands (ev): -7.0245 -7.0245 0.6089 0.6089 2.0921 2.0921 8.0453 8.0453 10.1105 10.1105 16.9145 16.9145 19.8279 19.8279 k = 0.3585 0.5000-0.0000 ( 336 PWs) bands (ev): -6.9830 -6.9830 0.6511 0.6511 1.9733 1.9733 8.0696 8.0696 9.9809 9.9809 16.9852 16.9852 19.8856 19.8856 k = 0.3679 0.5000-0.0000 ( 336 PWs) bands (ev): -6.9428 -6.9428 0.6917 0.6917 1.8608 1.8608 8.0930 8.0930 9.8570 9.8570 17.0545 17.0545 19.9416 19.9416 k = 0.3774 0.5000-0.0000 ( 336 PWs) bands (ev): -6.9040 -6.9040 0.7304 0.7304 1.7549 1.7549 8.1153 8.1153 9.7402 9.7402 17.1227 17.1227 19.9961 19.9961 k = 0.3868 0.5000-0.0000 ( 336 PWs) bands (ev): -6.8668 -6.8668 0.7670 0.7670 1.6560 1.6560 8.1365 8.1365 9.6307 9.6307 17.1894 17.1894 20.0488 20.0488 k = 0.3962 0.5000-0.0000 ( 336 PWs) bands (ev): -6.8316 -6.8316 0.8012 0.8012 1.5645 1.5645 8.1565 8.1565 9.5288 9.5288 17.2542 17.2542 20.0993 20.0993 k = 0.4057 0.5000-0.0000 ( 336 PWs) bands (ev): -6.7985 -6.7985 0.8324 0.8324 1.4808 1.4808 8.1751 8.1751 9.4347 9.4347 17.3165 17.3165 20.1472 20.1472 k = 0.4151 0.5000-0.0000 ( 336 PWs) bands (ev): -6.7677 -6.7677 0.8602 0.8602 1.4054 1.4054 8.1922 8.1922 9.3487 9.3487 17.3758 17.3758 20.1921 20.1921 k = 0.4245 0.5000-0.0000 ( 336 PWs) bands (ev): -6.7395 -6.7395 0.8840 0.8840 1.3391 1.3391 8.2079 8.2079 9.2709 9.2709 17.4314 17.4314 20.2337 20.2337 k = 0.4340 0.5000-0.0000 ( 336 PWs) bands (ev): -6.7140 -6.7140 0.9031 0.9031 1.2824 1.2824 8.2219 8.2219 9.2017 9.2017 17.4827 17.4827 20.2715 20.2715 k = 0.4434 0.5000-0.0000 ( 336 PWs) bands (ev): -6.6915 -6.6915 0.9168 0.9168 1.2360 1.2360 8.2342 8.2342 9.1412 9.1412 17.5290 17.5290 20.3052 20.3052 k = 0.4528 0.5000-0.0000 ( 336 PWs) bands (ev): -6.6722 -6.6722 0.9247 0.9247 1.2005 1.2005 8.2448 8.2448 9.0897 9.0897 17.5697 17.5697 20.3344 20.3344 k = 0.4623 0.5000-0.0000 ( 336 PWs) bands (ev): -6.6561 -6.6561 0.9271 0.9271 1.1755 1.1755 8.2535 8.2535 9.0473 9.0473 17.6041 17.6041 20.3589 20.3589 k = 0.4717 0.5000-0.0000 ( 336 PWs) bands (ev): -6.6434 -6.6434 0.9255 0.9255 1.1596 1.1596 8.2604 8.2604 9.0141 9.0141 17.6315 17.6315 20.3782 20.3782 k = 0.4811 0.5000-0.0000 ( 336 PWs) bands (ev): -6.6343 -6.6343 0.9219 0.9219 1.1506 1.1506 8.2653 8.2653 8.9903 8.9903 17.6515 17.6515 20.3922 20.3922 k = 0.4906 0.5000-0.0000 ( 336 PWs) bands (ev): -6.6288 -6.6288 0.9188 0.9188 1.1462 1.1462 8.2683 8.2683 8.9760 8.9760 17.6638 17.6638 20.4007 20.4008 k = 0.5000 0.5000-0.0000 ( 356 PWs) bands (ev): -6.6270 -6.6270 0.9174 0.9174 1.1447 1.1447 8.2689 8.2689 8.9689 8.9689 17.6567 17.6567 20.3951 20.3951 k = 0.5000 0.5000-0.0000 ( 356 PWs) bands (ev): -6.6270 -6.6270 0.9174 0.9174 1.1447 1.1447 8.2689 8.2689 8.9689 8.9689 17.6567 17.6567 20.3951 20.3951 k = 0.4933 0.4933-0.0000 ( 336 PWs) bands (ev): -6.6288 -6.6288 0.9189 0.9189 1.1461 1.1461 8.2683 8.2683 8.9760 8.9760 17.6637 17.6637 20.4031 20.4033 k = 0.4867 0.4867-0.0000 ( 336 PWs) bands (ev): -6.6343 -6.6343 0.9227 0.9227 1.1499 1.1499 8.2653 8.2653 8.9903 8.9903 17.6515 17.6515 20.4018 20.4019 k = 0.4800 0.4800-0.0000 ( 336 PWs) bands (ev): -6.6435 -6.6435 0.9290 0.9290 1.1561 1.1561 8.2604 8.2604 9.0140 9.0140 17.6312 17.6312 20.3997 20.3998 k = 0.4733 0.4733-0.0000 ( 336 PWs) bands (ev): -6.6562 -6.6562 0.9378 0.9378 1.1648 1.1648 8.2535 8.2535 9.0473 9.0473 17.6032 17.6032 20.3970 20.3970 k = 0.4667 0.4667-0.0000 ( 336 PWs) bands (ev): -6.6725 -6.6725 0.9492 0.9492 1.1761 1.1761 8.2446 8.2446 9.0898 9.0898 17.5676 17.5676 20.3937 20.3937 k = 0.4600 0.4600-0.0000 ( 336 PWs) bands (ev): -6.6923 -6.6923 0.9632 0.9632 1.1898 1.1898 8.2339 8.2339 9.1416 9.1416 17.5248 17.5248 20.3900 20.3900 k = 0.4533 0.4533-0.0000 ( 336 PWs) bands (ev): -6.7155 -6.7155 0.9796 0.9796 1.2061 1.2061 8.2213 8.2213 9.2026 9.2026 17.4753 17.4753 20.3861 20.3861 k = 0.4467 0.4467-0.0000 ( 336 PWs) bands (ev): -6.7420 -6.7420 0.9986 0.9986 1.2250 1.2250 8.2068 8.2068 9.2725 9.2725 17.4193 17.4193 20.3823 20.3823 k = 0.4400 0.4400-0.0000 ( 336 PWs) bands (ev): -6.7717 -6.7717 1.0202 1.0202 1.2464 1.2464 8.1905 8.1905 9.3513 9.3513 17.3573 17.3573 20.3787 20.3787 k = 0.4333 0.4333-0.0000 ( 336 PWs) bands (ev): -6.8045 -6.8045 1.0442 1.0442 1.2704 1.2704 8.1725 8.1725 9.4387 9.4387 17.2899 17.2899 20.3757 20.3757 k = 0.4267 0.4267-0.0000 ( 336 PWs) bands (ev): -6.8403 -6.8403 1.0709 1.0709 1.2970 1.2970 8.1527 8.1527 9.5347 9.5347 17.2175 17.2175 20.3734 20.3734 k = 0.4200 0.4200-0.0000 ( 336 PWs) bands (ev): -6.8789 -6.8789 1.1000 1.1000 1.3262 1.3262 8.1313 8.1313 9.6389 9.6389 17.1406 17.1406 20.3721 20.3721 k = 0.4133 0.4133-0.0000 ( 340 PWs) bands (ev): -6.9203 -6.9203 1.1316 1.1316 1.3579 1.3579 8.1081 8.1081 9.7502 9.7502 17.0589 17.0589 20.3707 20.3707 k = 0.4067 0.4067-0.0000 ( 340 PWs) bands (ev): -6.9641 -6.9641 1.1659 1.1659 1.3924 1.3924 8.0835 8.0835 9.8705 9.8705 16.9743 16.9743 20.3722 20.3722 k = 0.4000 0.4000-0.0000 ( 340 PWs) bands (ev): -7.0104 -7.0104 1.2027 1.2027 1.4294 1.4294 8.0573 8.0573 9.9985 9.9985 16.8867 16.8867 20.3754 20.3754 k = 0.3933 0.3933-0.0000 ( 340 PWs) bands (ev): -7.0589 -7.0589 1.2420 1.2420 1.4692 1.4692 8.0296 8.0296 10.1338 10.1338 16.7963 16.7963 20.3806 20.3806 k = 0.3867 0.3867-0.0000 ( 340 PWs) bands (ev): -7.1096 -7.1096 1.2839 1.2839 1.5115 1.5115 8.0005 8.0005 10.2764 10.2764 16.7038 16.7038 20.3879 20.3879 k = 0.3800 0.3800-0.0000 ( 340 PWs) bands (ev): -7.1622 -7.1622 1.3283 1.3283 1.5565 1.5565 7.9700 7.9700 10.4259 10.4259 16.6093 16.6093 20.3976 20.3976 k = 0.3733 0.3733-0.0000 ( 336 PWs) bands (ev): -7.2165 -7.2165 1.3753 1.3753 1.6042 1.6042 7.9383 7.9383 10.5825 10.5825 16.5138 16.5138 20.4158 20.4158 k = 0.3667 0.3667-0.0000 ( 336 PWs) bands (ev): -7.2725 -7.2725 1.4247 1.4247 1.6545 1.6545 7.9054 7.9054 10.7451 10.7451 16.4168 16.4168 20.4306 20.4306 k = 0.3600 0.3600-0.0000 ( 336 PWs) bands (ev): -7.3299 -7.3299 1.4768 1.4768 1.7075 1.7075 7.8713 7.8713 10.9138 10.9138 16.3191 16.3191 20.4483 20.4483 k = 0.3533 0.3533-0.0000 ( 336 PWs) bands (ev): -7.3887 -7.3887 1.5313 1.5313 1.7631 1.7631 7.8362 7.8362 11.0882 11.0882 16.2210 16.2210 20.4689 20.4689 k = 0.3467 0.3467-0.0000 ( 336 PWs) bands (ev): -7.4486 -7.4486 1.5884 1.5884 1.8213 1.8213 7.8000 7.8000 11.2681 11.2681 16.1229 16.1229 20.4927 20.4927 k = 0.3400 0.3400-0.0000 ( 336 PWs) bands (ev): -7.5095 -7.5095 1.6480 1.6480 1.8821 1.8821 7.7630 7.7630 11.4530 11.4530 16.0251 16.0251 20.5196 20.5196 k = 0.3333 0.3333-0.0000 ( 336 PWs) bands (ev): -7.5713 -7.5713 1.7101 1.7101 1.9455 1.9455 7.7251 7.7251 11.6426 11.6426 15.9280 15.9280 20.5498 20.5498 k = 0.3267 0.3267-0.0000 ( 336 PWs) bands (ev): -7.6337 -7.6337 1.7747 1.7747 2.0115 2.0115 7.6865 7.6865 11.8364 11.8364 15.8319 15.8319 20.5832 20.5832 k = 0.3200 0.3200-0.0000 ( 336 PWs) bands (ev): -7.6968 -7.6968 1.8418 1.8418 2.0800 2.0800 7.6471 7.6471 12.0338 12.0338 15.7373 15.7373 20.6199 20.6199 k = 0.3133 0.3133-0.0000 ( 336 PWs) bands (ev): -7.7603 -7.7603 1.9114 1.9114 2.1511 2.1511 7.6072 7.6072 12.2342 12.2342 15.6446 15.6446 20.6598 20.6598 k = 0.3067 0.3067-0.0000 ( 334 PWs) bands (ev): -7.8241 -7.8241 1.9834 1.9834 2.2246 2.2246 7.5668 7.5668 12.4375 12.4375 15.5544 15.5544 20.7042 20.7042 k = 0.3000 0.3000-0.0000 ( 334 PWs) bands (ev): -7.8880 -7.8880 2.0578 2.0578 2.3007 2.3007 7.5260 7.5260 12.6413 12.6413 15.4675 15.4675 20.7469 20.7469 k = 0.2933 0.2933-0.0000 ( 334 PWs) bands (ev): -7.9521 -7.9521 2.1346 2.1346 2.3791 2.3791 7.4848 7.4848 12.8449 12.8449 15.3848 15.3848 20.7696 20.7696 k = 0.2867 0.2867-0.0000 ( 336 PWs) bands (ev): -8.0160 -8.0160 2.2137 2.2137 2.4600 2.4600 7.4433 7.4433 13.0466 13.0466 15.3073 15.3073 20.6916 20.6916 k = 0.2800 0.2800-0.0000 ( 336 PWs) bands (ev): -8.0798 -8.0798 2.2952 2.2952 2.5433 2.5433 7.4016 7.4016 13.2438 13.2438 15.2377 15.2377 20.5656 20.5656 k = 0.2733 0.2733-0.0000 ( 336 PWs) bands (ev): -8.1433 -8.1433 2.3790 2.3790 2.6289 2.6289 7.3598 7.3598 13.4330 13.4330 15.1786 15.1786 20.4204 20.4204 k = 0.2667 0.2667-0.0000 ( 336 PWs) bands (ev): -8.2064 -8.2064 2.4650 2.4650 2.7168 2.7168 7.3180 7.3180 13.6090 13.6090 15.1343 15.1343 20.2551 20.2551 k = 0.2600 0.2600-0.0000 ( 332 PWs) bands (ev): -8.2690 -8.2690 2.5534 2.5534 2.8072 2.8072 7.2763 7.2763 13.7648 13.7648 15.1109 15.1109 20.0686 20.0686 k = 0.2533 0.2533-0.0000 ( 332 PWs) bands (ev): -8.3310 -8.3310 2.6438 2.6438 2.8995 2.8995 7.2347 7.2347 13.8908 13.8908 15.1162 15.1162 19.8616 19.8616 k = 0.2467 0.2467-0.0000 ( 332 PWs) bands (ev): -8.3923 -8.3923 2.7363 2.7363 2.9941 2.9941 7.1932 7.1932 13.9791 13.9791 15.1565 15.1565 19.6417 19.6417 k = 0.2400 0.2400-0.0000 ( 332 PWs) bands (ev): -8.4529 -8.4529 2.8309 2.8309 3.0907 3.0907 7.1521 7.1521 14.0269 14.0269 15.2325 15.2325 19.4136 19.4136 k = 0.2333 0.2333-0.0000 ( 332 PWs) bands (ev): -8.5126 -8.5126 2.9275 2.9275 3.1893 3.1893 7.1113 7.1113 14.0388 14.0388 15.3364 15.3364 19.1804 19.1804 k = 0.2267 0.2267-0.0000 ( 334 PWs) bands (ev): -8.5714 -8.5714 3.0260 3.0260 3.2899 3.2899 7.0709 7.0709 14.0237 14.0237 15.4551 15.4551 18.9418 18.9418 k = 0.2200 0.2200-0.0000 ( 334 PWs) bands (ev): -8.6292 -8.6292 3.1264 3.1264 3.3925 3.3925 7.0310 7.0310 13.9905 13.9905 15.5767 15.5767 18.7033 18.7033 k = 0.2133 0.2133-0.0000 ( 330 PWs) bands (ev): -8.6859 -8.6859 3.2286 3.2286 3.4969 3.4969 6.9917 6.9917 13.9464 13.9464 15.6890 15.6890 18.4651 18.4651 k = 0.2067 0.2067-0.0000 ( 330 PWs) bands (ev): -8.7414 -8.7414 3.3323 3.3323 3.6030 3.6030 6.9530 6.9530 13.8941 13.8941 15.7814 15.7814 18.2253 18.2253 k = 0.2000 0.2000-0.0000 ( 330 PWs) bands (ev): -8.7958 -8.7958 3.4376 3.4376 3.7107 3.7107 6.9151 6.9151 13.8372 13.8372 15.8462 15.8462 17.9860 17.9860 k = 0.1933 0.1933-0.0000 ( 326 PWs) bands (ev): -8.8488 -8.8488 3.5445 3.5445 3.8202 3.8202 6.8779 6.8779 13.7778 13.7778 15.8779 15.8779 17.7498 17.7498 k = 0.1867 0.1867-0.0000 ( 326 PWs) bands (ev): -8.9006 -8.9006 3.6526 3.6526 3.9308 3.9308 6.8415 6.8415 13.7170 13.7170 15.8742 15.8742 17.5129 17.5129 k = 0.1800 0.1800-0.0000 ( 326 PWs) bands (ev): -8.9510 -8.9510 3.7618 3.7618 4.0428 4.0428 6.8060 6.8060 13.6555 13.6555 15.8360 15.8360 17.2778 17.2778 k = 0.1733 0.1733-0.0000 ( 332 PWs) bands (ev): -8.9999 -8.9999 3.8720 3.8720 4.1558 4.1558 6.7714 6.7714 13.5936 13.5936 15.7661 15.7661 17.0407 17.0407 k = 0.1667 0.1667-0.0000 ( 332 PWs) bands (ev): -9.0473 -9.0473 3.9831 3.9831 4.2699 4.2699 6.7380 6.7380 13.5323 13.5323 15.6710 15.6710 16.8107 16.8107 k = 0.1600 0.1600-0.0000 ( 332 PWs) bands (ev): -9.0933 -9.0933 4.0948 4.0948 4.3848 4.3848 6.7056 6.7056 13.4716 13.4716 15.5553 15.5553 16.5836 16.5836 k = 0.1533 0.1533-0.0000 ( 332 PWs) bands (ev): -9.1376 -9.1376 4.2069 4.2069 4.5004 4.5004 6.6744 6.6744 13.4116 13.4116 15.4239 15.4239 16.3599 16.3599 k = 0.1467 0.1467-0.0000 ( 332 PWs) bands (ev): -9.1803 -9.1803 4.3192 4.3192 4.6165 4.6165 6.6444 6.6444 13.3523 13.3523 15.2812 15.2812 16.1400 16.1400 k = 0.1400 0.1400-0.0000 ( 338 PWs) bands (ev): -9.2214 -9.2214 4.4314 4.4314 4.7327 4.7327 6.6156 6.6156 13.2935 13.2935 15.1301 15.1301 15.9221 15.9221 k = 0.1333 0.1333-0.0000 ( 334 PWs) bands (ev): -9.2608 -9.2608 4.5433 4.5433 4.8490 4.8490 6.5884 6.5884 13.2358 13.2358 14.9752 14.9752 15.7111 15.7111 k = 0.1267 0.1267-0.0000 ( 332 PWs) bands (ev): -9.2985 -9.2985 4.6545 4.6545 4.9650 4.9650 6.5625 6.5625 13.1787 13.1787 14.8183 14.8183 15.5053 15.5053 k = 0.1200 0.1200-0.0000 ( 332 PWs) bands (ev): -9.3344 -9.3344 4.7645 4.7645 5.0802 5.0802 6.5382 6.5382 13.1216 13.1216 14.6614 14.6614 15.3041 15.3041 k = 0.1133 0.1133-0.0000 ( 334 PWs) bands (ev): -9.3685 -9.3685 4.8730 4.8730 5.1945 5.1945 6.5154 6.5154 13.0638 13.0638 14.5054 14.5054 15.1086 15.1086 k = 0.1067 0.1067-0.0000 ( 334 PWs) bands (ev): -9.4009 -9.4009 4.9795 4.9795 5.3075 5.3075 6.4945 6.4945 13.0065 13.0065 14.3544 14.3544 14.9192 14.9192 k = 0.1000 0.1000-0.0000 ( 334 PWs) bands (ev): -9.4313 -9.4313 5.0834 5.0834 5.4186 5.4186 6.4754 6.4754 12.9485 12.9485 14.2090 14.2090 14.7365 14.7365 k = 0.0933 0.0933-0.0000 ( 334 PWs) bands (ev): -9.4600 -9.4600 5.1843 5.1843 5.5275 5.5275 6.4583 6.4583 12.8894 12.8894 14.0707 14.0707 14.5610 14.5610 k = 0.0867 0.0867-0.0000 ( 334 PWs) bands (ev): -9.4867 -9.4867 5.2814 5.2814 5.6335 5.6335 6.4433 6.4433 12.8289 12.8289 13.9410 13.9410 14.3933 14.3933 k = 0.0800 0.0800-0.0000 ( 342 PWs) bands (ev): -9.5115 -9.5115 5.3740 5.3740 5.7362 5.7362 6.4306 6.4306 12.7666 12.7666 13.8200 13.8200 14.2294 14.2294 k = 0.0733 0.0733-0.0000 ( 342 PWs) bands (ev): -9.5345 -9.5345 5.4613 5.4613 5.8349 5.8349 6.4205 6.4205 12.7026 12.7026 13.7111 13.7111 14.0790 14.0790 k = 0.0667 0.0667-0.0000 ( 342 PWs) bands (ev): -9.5554 -9.5554 5.5427 5.5427 5.9289 5.9289 6.4130 6.4130 12.6373 12.6373 13.6140 13.6140 13.9383 13.9383 k = 0.0600 0.0600-0.0000 ( 338 PWs) bands (ev): -9.5745 -9.5745 5.6172 5.6172 6.0175 6.0175 6.4084 6.4084 12.5712 12.5712 13.5291 13.5291 13.8085 13.8085 k = 0.0533 0.0533-0.0000 ( 338 PWs) bands (ev): -9.5915 -9.5915 5.6840 5.6840 6.0998 6.0998 6.4066 6.4066 12.5055 12.5055 13.4557 13.4557 13.6892 13.6892 k = 0.0467 0.0467-0.0000 ( 342 PWs) bands (ev): -9.6066 -9.6066 5.7425 5.7425 6.1751 6.1751 6.4077 6.4077 12.4418 12.4418 13.3926 13.3926 13.5787 13.5787 k = 0.0400 0.0400-0.0000 ( 341 PWs) bands (ev): -9.6197 -9.6197 5.7924 5.7924 6.2426 6.2426 6.4113 6.4113 12.3818 12.3818 13.3412 13.3412 13.4836 13.4836 k = 0.0333 0.0333-0.0000 ( 341 PWs) bands (ev): -9.6308 -9.6308 5.8335 5.8335 6.3013 6.3013 6.4168 6.4168 12.3273 12.3273 13.2995 13.2995 13.4019 13.4019 k = 0.0267 0.0267-0.0000 ( 341 PWs) bands (ev): -9.6399 -9.6399 5.8659 5.8659 6.3507 6.3507 6.4235 6.4235 12.2801 12.2801 13.2665 13.2665 13.3339 13.3339 k = 0.0200 0.0200-0.0000 ( 341 PWs) bands (ev): -9.6470 -9.6470 5.8902 5.8902 6.3899 6.3899 6.4303 6.4303 12.2417 12.2417 13.2417 13.2417 13.2804 13.2804 k = 0.0133 0.0133-0.0000 ( 341 PWs) bands (ev): -9.6520 -9.6520 5.9070 5.9070 6.4184 6.4184 6.4361 6.4361 12.2133 12.2133 13.2244 13.2244 13.2419 13.2419 k = 0.0067 0.0067-0.0000 ( 341 PWs) bands (ev): -9.6550 -9.6550 5.9168 5.9168 6.4356 6.4356 6.4400 6.4400 12.1959 12.1959 13.2142 13.2142 13.2186 13.2186 k = 0.0000 0.0000 0.0000 ( 341 PWs) bands (ev): -9.6561 -9.6561 5.9200 5.9200 6.4414 6.4414 6.4414 6.4414 12.1901 12.1901 13.2108 13.2108 13.2108 13.2108 k = 0.0000 0.0000 0.0000 ( 341 PWs) bands (ev): -9.6561 -9.6561 5.9200 5.9200 6.4414 6.4414 6.4414 6.4414 12.1901 12.1901 13.2108 13.2108 13.2108 13.2108 k = 0.0054 0.0054 0.0054 ( 341 PWs) bands (ev): -9.6551 -9.6551 5.9168 5.9168 6.4376 6.4376 6.4380 6.4380 12.1959 12.1959 13.2162 13.2162 13.2165 13.2165 k = 0.0109 0.0109 0.0109 ( 341 PWs) bands (ev): -9.6520 -9.6520 5.9072 5.9072 6.4263 6.4263 6.4280 6.4280 12.2134 12.2134 13.2325 13.2325 13.2335 13.2335 k = 0.0163 0.0163 0.0163 ( 341 PWs) bands (ev): -9.6470 -9.6470 5.8915 5.8915 6.4076 6.4076 6.4113 6.4113 12.2424 12.2424 13.2596 13.2596 13.2617 13.2617 k = 0.0217 0.0217 0.0217 ( 341 PWs) bands (ev): -9.6399 -9.6399 5.8696 5.8696 6.3818 6.3818 6.3882 6.3882 12.2826 12.2826 13.2973 13.2973 13.3009 13.3009 k = 0.0272 0.0272 0.0272 ( 341 PWs) bands (ev): -9.6309 -9.6309 5.8419 5.8419 6.3492 6.3492 6.3588 6.3588 12.3336 12.3336 13.3453 13.3453 13.3510 13.3510 k = 0.0326 0.0326 0.0326 ( 341 PWs) bands (ev): -9.6198 -9.6198 5.8085 5.8085 6.3101 6.3101 6.3237 6.3237 12.3949 12.3949 13.4035 13.4035 13.4115 13.4115 k = 0.0380 0.0380 0.0380 ( 344 PWs) bands (ev): -9.6067 -9.6067 5.7698 5.7698 6.2651 6.2651 6.2829 6.2829 12.4661 12.4661 13.4712 13.4712 13.4818 13.4818 k = 0.0435 0.0435 0.0435 ( 338 PWs) bands (ev): -9.5917 -9.5917 5.7262 5.7262 6.2147 6.2147 6.2369 6.2369 12.5465 12.5465 13.5507 13.5507 13.5642 13.5642 k = 0.0489 0.0489 0.0489 ( 338 PWs) bands (ev): -9.5746 -9.5746 5.6779 5.6779 6.1592 6.1592 6.1862 6.1862 12.6355 12.6355 13.6373 13.6373 13.6539 13.6539 k = 0.0543 0.0543 0.0543 ( 341 PWs) bands (ev): -9.5556 -9.5556 5.6253 5.6253 6.0991 6.0991 6.1310 6.1310 12.7325 12.7325 13.7323 13.7323 13.7523 13.7523 k = 0.0598 0.0598 0.0598 ( 341 PWs) bands (ev): -9.5346 -9.5346 5.5688 5.5688 6.0351 6.0351 6.0719 6.0719 12.8367 12.8367 13.8360 13.8360 13.8594 13.8594 k = 0.0652 0.0652 0.0652 ( 335 PWs) bands (ev): -9.5116 -9.5116 5.5089 5.5089 5.9677 5.9677 6.0092 6.0092 12.9475 12.9475 13.9507 13.9507 13.9777 13.9777 k = 0.0707 0.0707 0.0707 ( 335 PWs) bands (ev): -9.4867 -9.4867 5.4458 5.4458 5.8971 5.8971 5.9433 5.9433 13.0641 13.0641 14.0698 14.0698 14.1004 14.1004 k = 0.0761 0.0761 0.0761 ( 335 PWs) bands (ev): -9.4599 -9.4599 5.3800 5.3800 5.8239 5.8239 5.8746 5.8746 13.1859 13.1859 14.1961 14.1961 14.2304 14.2304 k = 0.0815 0.0815 0.0815 ( 335 PWs) bands (ev): -9.4311 -9.4311 5.3118 5.3118 5.7485 5.7485 5.8035 5.8035 13.3121 13.3121 14.3291 14.3291 14.3671 14.3671 k = 0.0870 0.0870 0.0870 ( 335 PWs) bands (ev): -9.4005 -9.4005 5.2415 5.2415 5.6713 5.6713 5.7303 5.7303 13.4419 13.4419 14.4685 14.4685 14.5101 14.5101 k = 0.0924 0.0924 0.0924 ( 335 PWs) bands (ev): -9.3679 -9.3679 5.1695 5.1695 5.5926 5.5926 5.6554 5.6554 13.5745 13.5745 14.6138 14.6138 14.6592 14.6592 k = 0.0978 0.0978 0.0978 ( 335 PWs) bands (ev): -9.3335 -9.3335 5.0960 5.0960 5.5128 5.5128 5.5790 5.5790 13.7091 13.7091 14.7648 14.7648 14.8138 14.8138 k = 0.1033 0.1033 0.1033 ( 335 PWs) bands (ev): -9.2972 -9.2972 5.0214 5.0214 5.4321 5.4321 5.5015 5.5015 13.8449 13.8449 14.9209 14.9209 14.9737 14.9737 k = 0.1087 0.1087 0.1087 ( 332 PWs) bands (ev): -9.2591 -9.2591 4.9459 4.9459 5.3509 5.3509 5.4230 5.4230 13.9808 13.9808 15.0821 15.0821 15.1386 15.1386 k = 0.1141 0.1141 0.1141 ( 332 PWs) bands (ev): -9.2191 -9.2191 4.8697 4.8697 5.2692 5.2692 5.3440 5.3440 14.1158 14.1158 15.2476 15.2476 15.3078 15.3078 k = 0.1196 0.1196 0.1196 ( 329 PWs) bands (ev): -9.1774 -9.1774 4.7932 4.7932 5.1875 5.1875 5.2645 5.2645 14.2488 14.2488 15.4191 15.4191 15.4829 15.4829 k = 0.1250 0.1250 0.1250 ( 329 PWs) bands (ev): -9.1339 -9.1339 4.7164 4.7164 5.1058 5.1058 5.1848 5.1848 14.3784 14.3784 15.5924 15.5924 15.6600 15.6600 k = 0.1304 0.1304 0.1304 ( 335 PWs) bands (ev): -9.0887 -9.0887 4.6394 4.6394 5.0242 5.0242 5.1048 5.1048 14.5033 14.5033 15.7671 15.7671 15.8386 15.8386 k = 0.1359 0.1359 0.1359 ( 335 PWs) bands (ev): -9.0417 -9.0417 4.5628 4.5628 4.9432 4.9432 5.0253 5.0253 14.6220 14.6220 15.9464 15.9464 16.0217 16.0217 k = 0.1413 0.1413 0.1413 ( 335 PWs) bands (ev): -8.9931 -8.9931 4.4865 4.4865 4.8627 4.8627 4.9460 4.9460 14.7327 14.7327 16.1278 16.1278 16.2071 16.2071 k = 0.1467 0.1467 0.1467 ( 329 PWs) bands (ev): -8.9427 -8.9427 4.4107 4.4107 4.7831 4.7831 4.8672 4.8672 14.8338 14.8338 16.3142 16.3142 16.3977 16.3977 k = 0.1522 0.1522 0.1522 ( 329 PWs) bands (ev): -8.8908 -8.8908 4.3354 4.3354 4.7042 4.7042 4.7890 4.7890 14.9234 14.9234 16.4974 16.4974 16.5852 16.5852 k = 0.1576 0.1576 0.1576 ( 329 PWs) bands (ev): -8.8372 -8.8372 4.2609 4.2609 4.6262 4.6262 4.7114 4.7114 14.9997 14.9997 16.6798 16.6798 16.7722 16.7722 k = 0.1630 0.1630 0.1630 ( 329 PWs) bands (ev): -8.7821 -8.7821 4.1872 4.1872 4.5493 4.5493 4.6347 4.6347 15.0610 15.0610 16.8596 16.8596 16.9568 16.9568 k = 0.1685 0.1685 0.1685 ( 329 PWs) bands (ev): -8.7255 -8.7255 4.1144 4.1144 4.4735 4.4735 4.5589 4.5589 15.1058 15.1058 17.0343 17.0343 17.1365 17.1365 k = 0.1739 0.1739 0.1739 ( 329 PWs) bands (ev): -8.6673 -8.6673 4.0426 4.0426 4.3990 4.3990 4.4841 4.4841 15.1331 15.1331 17.2001 17.2001 17.3073 17.3073 k = 0.1793 0.1793 0.1793 ( 329 PWs) bands (ev): -8.6077 -8.6077 3.9719 3.9719 4.3257 4.3257 4.4104 4.4104 15.1423 15.1423 17.3509 17.3509 17.4628 17.4628 k = 0.1848 0.1848 0.1848 ( 329 PWs) bands (ev): -8.5467 -8.5467 3.9023 3.9023 4.2538 4.2538 4.3378 4.3378 15.1334 15.1334 17.4778 17.4778 17.5931 17.5931 k = 0.1902 0.1902 0.1902 ( 335 PWs) bands (ev): -8.4844 -8.4844 3.8339 3.8339 4.1831 4.1831 4.2662 4.2662 15.1059 15.1059 17.5682 17.5682 17.6837 17.6837 k = 0.1957 0.1957 0.1957 ( 335 PWs) bands (ev): -8.4207 -8.4207 3.7668 3.7668 4.1141 4.1141 4.1962 4.1962 15.0626 15.0626 17.6099 17.6099 17.7207 17.7207 k = 0.2011 0.2011 0.2011 ( 335 PWs) bands (ev): -8.3557 -8.3557 3.7011 3.7011 4.0466 4.0466 4.1274 4.1274 15.0039 15.0039 17.5944 17.5944 17.6957 17.6957 k = 0.2065 0.2065 0.2065 ( 335 PWs) bands (ev): -8.2895 -8.2895 3.6367 3.6367 3.9806 3.9806 4.0600 4.0600 14.9315 14.9315 17.5252 17.5252 17.6147 17.6147 k = 0.2120 0.2120 0.2120 ( 335 PWs) bands (ev): -8.2221 -8.2221 3.5737 3.5737 3.9162 3.9162 3.9940 3.9940 14.8472 14.8472 17.4143 17.4143 17.4926 17.4926 k = 0.2174 0.2174 0.2174 ( 335 PWs) bands (ev): -8.1535 -8.1535 3.5121 3.5121 3.8534 3.8534 3.9295 3.9295 14.7527 14.7527 17.2749 17.2749 17.3439 17.3439 k = 0.2228 0.2228 0.2228 ( 335 PWs) bands (ev): -8.0839 -8.0839 3.4519 3.4519 3.7923 3.7923 3.8664 3.8664 14.6497 14.6497 17.1173 17.1173 17.1788 17.1788 k = 0.2283 0.2283 0.2283 ( 323 PWs) bands (ev): -8.0133 -8.0133 3.3933 3.3933 3.7329 3.7329 3.8050 3.8050 14.5400 14.5400 16.9509 16.9509 17.0064 17.0064 k = 0.2337 0.2337 0.2337 ( 326 PWs) bands (ev): -7.9417 -7.9417 3.3360 3.3360 3.6751 3.6751 3.7450 3.7450 14.4229 14.4229 16.7755 16.7755 16.8263 16.8263 k = 0.2391 0.2391 0.2391 ( 326 PWs) bands (ev): -7.8692 -7.8692 3.2803 3.2803 3.6190 3.6190 3.6865 3.6865 14.3031 14.3031 16.5966 16.5966 16.6434 16.6434 k = 0.2446 0.2446 0.2446 ( 326 PWs) bands (ev): -7.7959 -7.7959 3.2260 3.2260 3.5646 3.5646 3.6296 3.6296 14.1802 14.1802 16.4160 16.4160 16.4595 16.4595 k = 0.2500 0.2500 0.2500 ( 326 PWs) bands (ev): -7.7219 -7.7219 3.1733 3.1733 3.5120 3.5120 3.5743 3.5743 14.0552 14.0552 16.2350 16.2350 16.2757 16.2757 k = 0.2554 0.2554 0.2554 ( 326 PWs) bands (ev): -7.6471 -7.6471 3.1220 3.1220 3.4610 3.4610 3.5205 3.5205 13.9290 13.9290 16.0546 16.0546 16.0929 16.0929 k = 0.2609 0.2609 0.2609 ( 326 PWs) bands (ev): -7.5717 -7.5717 3.0723 3.0723 3.4117 3.4117 3.4684 3.4684 13.8023 13.8023 15.8755 15.8755 15.9115 15.9115 k = 0.2663 0.2663 0.2663 ( 326 PWs) bands (ev): -7.4958 -7.4958 3.0240 3.0240 3.3642 3.3642 3.4179 3.4179 13.6759 13.6759 15.6981 15.6981 15.7322 15.7322 k = 0.2717 0.2717 0.2717 ( 326 PWs) bands (ev): -7.4194 -7.4194 2.9772 2.9772 3.3183 3.3183 3.3689 3.3689 13.5502 13.5502 15.5228 15.5228 15.5551 15.5551 k = 0.2772 0.2772 0.2772 ( 332 PWs) bands (ev): -7.3427 -7.3427 2.9318 2.9318 3.2739 3.2739 3.3214 3.3214 13.4259 13.4259 15.3479 15.3479 15.3785 15.3785 k = 0.2826 0.2826 0.2826 ( 329 PWs) bands (ev): -7.2656 -7.2656 2.8880 2.8880 3.2314 3.2314 3.2756 3.2756 13.3033 13.3033 15.1776 15.1776 15.2067 15.2067 k = 0.2880 0.2880 0.2880 ( 329 PWs) bands (ev): -7.1882 -7.1882 2.8456 2.8456 3.1904 3.1904 3.2315 3.2315 13.1830 13.1830 15.0102 15.0102 15.0378 15.0378 k = 0.2935 0.2935 0.2935 ( 329 PWs) bands (ev): -7.1108 -7.1108 2.8047 2.8047 3.1511 3.1511 3.1889 3.1889 13.0652 13.0652 14.8458 14.8458 14.8721 14.8721 k = 0.2989 0.2989 0.2989 ( 329 PWs) bands (ev): -7.0333 -7.0333 2.7652 2.7652 3.1133 3.1133 3.1478 3.1478 12.9503 12.9503 14.6845 14.6845 14.7095 14.7095 k = 0.3043 0.3043 0.3043 ( 329 PWs) bands (ev): -6.9559 -6.9559 2.7271 2.7271 3.0771 3.0771 3.1084 3.1084 12.8386 12.8386 14.5265 14.5265 14.5502 14.5502 k = 0.3098 0.3098 0.3098 ( 329 PWs) bands (ev): -6.8786 -6.8786 2.6904 2.6904 3.0424 3.0424 3.0704 3.0704 12.7303 12.7303 14.3718 14.3718 14.3944 14.3944 k = 0.3152 0.3152 0.3152 ( 329 PWs) bands (ev): -6.8016 -6.8016 2.6551 2.6551 3.0091 3.0091 3.0340 3.0340 12.6257 12.6257 14.2206 14.2206 14.2420 14.2420 k = 0.3207 0.3207 0.3207 ( 329 PWs) bands (ev): -6.7250 -6.7250 2.6211 2.6211 2.9773 2.9773 2.9991 2.9991 12.5251 12.5251 14.0729 14.0729 14.0932 14.0932 k = 0.3261 0.3261 0.3261 ( 329 PWs) bands (ev): -6.6488 -6.6488 2.5885 2.5885 2.9469 2.9469 2.9657 2.9657 12.4285 12.4285 13.9288 13.9288 13.9481 13.9481 k = 0.3315 0.3315 0.3315 ( 329 PWs) bands (ev): -6.5731 -6.5731 2.5572 2.5572 2.9178 2.9178 2.9337 2.9337 12.3362 12.3362 13.7884 13.7884 13.8066 13.8066 k = 0.3370 0.3370 0.3370 ( 329 PWs) bands (ev): -6.4982 -6.4982 2.5272 2.5272 2.8901 2.8901 2.9032 2.9032 12.2484 12.2484 13.6518 13.6518 13.6690 13.6690 k = 0.3424 0.3424 0.3424 ( 329 PWs) bands (ev): -6.4240 -6.4240 2.4984 2.4984 2.8636 2.8636 2.8740 2.8740 12.1652 12.1652 13.5190 13.5190 13.5352 13.5352 k = 0.3478 0.3478 0.3478 ( 323 PWs) bands (ev): -6.3507 -6.3507 2.4710 2.4710 2.8386 2.8386 2.8463 2.8463 12.0884 12.0884 13.3903 13.3903 13.4055 13.4055 k = 0.3533 0.3533 0.3533 ( 323 PWs) bands (ev): -6.2785 -6.2785 2.4447 2.4447 2.8145 2.8145 2.8200 2.8200 12.0147 12.0147 13.2653 13.2653 13.2796 13.2796 k = 0.3587 0.3587 0.3587 ( 323 PWs) bands (ev): -6.2074 -6.2074 2.4196 2.4196 2.7916 2.7916 2.7949 2.7949 11.9460 11.9460 13.1443 13.1443 13.1577 13.1577 k = 0.3641 0.3641 0.3641 ( 323 PWs) bands (ev): -6.1376 -6.1376 2.3957 2.3957 2.7698 2.7698 2.7712 2.7712 11.8822 11.8822 13.0274 13.0274 13.0399 13.0399 k = 0.3696 0.3696 0.3696 ( 326 PWs) bands (ev): -6.0692 -6.0692 2.3729 2.3729 2.7487 2.7487 2.7490 2.7490 11.8222 11.8222 12.9144 12.9144 12.9261 12.9261 k = 0.3750 0.3750 0.3750 ( 326 PWs) bands (ev): -6.0022 -6.0022 2.3513 2.3513 2.7275 2.7275 2.7293 2.7293 11.7686 11.7686 12.8058 12.8058 12.8166 12.8166 k = 0.3804 0.3804 0.3804 ( 326 PWs) bands (ev): -5.9369 -5.9369 2.3307 2.3307 2.7075 2.7075 2.7106 2.7106 11.7200 11.7200 12.7013 12.7013 12.7113 12.7113 k = 0.3859 0.3859 0.3859 ( 326 PWs) bands (ev): -5.8734 -5.8734 2.3112 2.3112 2.6887 2.6887 2.6929 2.6929 11.6764 11.6764 12.6011 12.6011 12.6102 12.6102 k = 0.3913 0.3913 0.3913 ( 326 PWs) bands (ev): -5.8118 -5.8118 2.2928 2.2928 2.6711 2.6711 2.6760 2.6760 11.6379 11.6379 12.5052 12.5052 12.5136 12.5136 k = 0.3967 0.3967 0.3967 ( 326 PWs) bands (ev): -5.7521 -5.7521 2.2754 2.2754 2.6545 2.6545 2.6601 2.6601 11.6044 11.6044 12.4136 12.4136 12.4213 12.4213 k = 0.4022 0.4022 0.4022 ( 326 PWs) bands (ev): -5.6947 -5.6947 2.2590 2.2590 2.6391 2.6391 2.6451 2.6451 11.5757 11.5757 12.3264 12.3264 12.3334 12.3334 k = 0.4076 0.4076 0.4076 ( 326 PWs) bands (ev): -5.6394 -5.6394 2.2436 2.2436 2.6247 2.6247 2.6310 2.6310 11.5517 11.5517 12.2437 12.2437 12.2499 12.2499 k = 0.4130 0.4130 0.4130 ( 320 PWs) bands (ev): -5.5866 -5.5866 2.2292 2.2292 2.6114 2.6114 2.6177 2.6177 11.5330 11.5330 12.1666 12.1666 12.1722 12.1722 k = 0.4185 0.4185 0.4185 ( 320 PWs) bands (ev): -5.5362 -5.5362 2.2157 2.2157 2.5990 2.5990 2.6052 2.6052 11.5180 11.5180 12.0929 12.0929 12.0978 12.0978 k = 0.4239 0.4239 0.4239 ( 320 PWs) bands (ev): -5.4885 -5.4885 2.2031 2.2031 2.5876 2.5876 2.5936 2.5936 11.5070 11.5070 12.0237 12.0237 12.0280 12.0280 k = 0.4293 0.4293 0.4293 ( 320 PWs) bands (ev): -5.4435 -5.4435 2.1914 2.1914 2.5771 2.5771 2.5827 2.5827 11.4998 11.4998 11.9591 11.9591 11.9629 11.9629 k = 0.4348 0.4348 0.4348 ( 320 PWs) bands (ev): -5.4013 -5.4013 2.1806 2.1806 2.5675 2.5675 2.5727 2.5727 11.4961 11.4961 11.8992 11.8992 11.9024 11.9024 k = 0.4402 0.4402 0.4402 ( 320 PWs) bands (ev): -5.3621 -5.3621 2.1708 2.1708 2.5588 2.5588 2.5634 2.5634 11.4954 11.4954 11.8439 11.8439 11.8467 11.8467 k = 0.4457 0.4457 0.4457 ( 320 PWs) bands (ev): -5.3259 -5.3259 2.1618 2.1618 2.5509 2.5509 2.5550 2.5550 11.4974 11.4974 11.7934 11.7934 11.7956 11.7956 k = 0.4511 0.4511 0.4511 ( 317 PWs) bands (ev): -5.2929 -5.2929 2.1537 2.1537 2.5440 2.5440 2.5474 2.5474 11.5019 11.5019 11.7485 11.7485 11.7503 11.7503 k = 0.4565 0.4565 0.4565 ( 317 PWs) bands (ev): -5.2631 -5.2631 2.1464 2.1464 2.5377 2.5377 2.5405 2.5405 11.5077 11.5077 11.7074 11.7074 11.7089 11.7089 k = 0.4620 0.4620 0.4620 ( 317 PWs) bands (ev): -5.2366 -5.2366 2.1400 2.1400 2.5323 2.5323 2.5345 2.5345 11.5146 11.5146 11.6711 11.6711 11.6722 11.6722 k = 0.4674 0.4674 0.4674 ( 317 PWs) bands (ev): -5.2135 -5.2135 2.1345 2.1345 2.5276 2.5276 2.5292 2.5292 11.5221 11.5221 11.6396 11.6396 11.6404 11.6404 k = 0.4728 0.4728 0.4728 ( 317 PWs) bands (ev): -5.1938 -5.1938 2.1298 2.1298 2.5237 2.5237 2.5248 2.5248 11.5297 11.5297 11.6129 11.6129 11.6134 11.6134 k = 0.4783 0.4783 0.4783 ( 311 PWs) bands (ev): -5.1776 -5.1776 2.1261 2.1261 2.5205 2.5205 2.5213 2.5213 11.5371 11.5371 11.5924 11.5924 11.5927 11.5927 k = 0.4837 0.4837 0.4837 ( 304 PWs) bands (ev): -5.1650 -5.1650 2.1232 2.1232 2.5181 2.5181 2.5186 2.5186 11.5455 11.5455 11.5760 11.5760 11.5762 11.5762 k = 0.4891 0.4891 0.4891 ( 304 PWs) bands (ev): -5.1560 -5.1560 2.1210 2.1210 2.5163 2.5163 2.5165 2.5165 11.5502 11.5502 11.5638 11.5638 11.5639 11.5639 k = 0.4946 0.4946 0.4946 ( 304 PWs) bands (ev): -5.1505 -5.1505 2.1198 2.1198 2.5153 2.5153 2.5153 2.5153 11.5531 11.5531 11.5565 11.5565 11.5566 11.5566 k = 0.5000 0.5000 0.5000 ( 304 PWs) bands (ev): -5.1487 -5.1487 2.1193 2.1193 2.5149 2.5149 2.5149 2.5149 11.5541 11.5541 11.5541 11.5541 11.5541 11.5541 k = 0.5000 0.5000 0.5000 ( 304 PWs) bands (ev): -5.1487 -5.1487 2.1193 2.1193 2.5149 2.5149 2.5149 2.5149 11.5541 11.5541 11.5541 11.5541 11.5541 11.5541 k = 0.4933 0.5000 0.4933 ( 304 PWs) bands (ev): -5.1505 -5.1505 2.1198 2.1198 2.5143 2.5143 2.5163 2.5163 11.5521 11.5521 11.5556 11.5556 11.5586 11.5586 k = 0.4867 0.5000 0.4867 ( 304 PWs) bands (ev): -5.1560 -5.1560 2.1210 2.1210 2.5126 2.5126 2.5204 2.5204 11.5462 11.5462 11.5599 11.5599 11.5719 11.5719 k = 0.4800 0.5000 0.4800 ( 304 PWs) bands (ev): -5.1650 -5.1650 2.1228 2.1228 2.5099 2.5099 2.5272 2.5272 11.5366 11.5366 11.5672 11.5672 11.5941 11.5941 k = 0.4733 0.5000 0.4733 ( 310 PWs) bands (ev): -5.1777 -5.1777 2.1248 2.1248 2.5064 2.5064 2.5367 2.5367 11.5226 11.5226 11.5774 11.5774 11.6228 11.6228 k = 0.4667 0.5000 0.4667 ( 314 PWs) bands (ev): -5.1938 -5.1938 2.1267 2.1267 2.5029 2.5029 2.5489 2.5489 11.5057 11.5057 11.5898 11.5898 11.6626 11.6626 k = 0.4600 0.5000 0.4600 ( 314 PWs) bands (ev): -5.2134 -5.2134 2.1280 2.1280 2.4998 2.4998 2.5640 2.5640 11.4878 11.4878 11.6058 11.6058 11.7112 11.7112 k = 0.4533 0.5000 0.4533 ( 322 PWs) bands (ev): -5.2364 -5.2364 2.1275 2.1275 2.4979 2.4979 2.5816 2.5816 11.4664 11.4664 11.6227 11.6227 11.7683 11.7683 k = 0.4467 0.5000 0.4467 ( 322 PWs) bands (ev): -5.2626 -5.2626 2.1248 2.1248 2.4983 2.4983 2.6021 2.6021 11.4460 11.4460 11.6445 11.6445 11.8341 11.8341 k = 0.4400 0.5000 0.4400 ( 322 PWs) bands (ev): -5.2920 -5.2920 2.1189 2.1189 2.5017 2.5017 2.6252 2.6252 11.4253 11.4253 11.6692 11.6692 11.9083 11.9083 k = 0.4333 0.5000 0.4333 ( 326 PWs) bands (ev): -5.3244 -5.3244 2.1089 2.1089 2.5090 2.5090 2.6510 2.6510 11.4043 11.4043 11.6953 11.6953 11.9908 11.9908 k = 0.4267 0.5000 0.4267 ( 326 PWs) bands (ev): -5.3597 -5.3597 2.0944 2.0944 2.5208 2.5208 2.6794 2.6794 11.3847 11.3847 11.7259 11.7259 12.0816 12.0816 k = 0.4200 0.5000 0.4200 ( 326 PWs) bands (ev): -5.3979 -5.3979 2.0752 2.0752 2.5373 2.5373 2.7106 2.7106 11.3666 11.3666 11.7593 11.7593 12.1804 12.1804 k = 0.4133 0.5000 0.4133 ( 326 PWs) bands (ev): -5.4386 -5.4386 2.0513 2.0513 2.5586 2.5586 2.7444 2.7444 11.3502 11.3502 11.7956 11.7956 12.2872 12.2872 k = 0.4067 0.5000 0.4067 ( 326 PWs) bands (ev): -5.4819 -5.4819 2.0231 2.0231 2.5844 2.5844 2.7808 2.7808 11.3362 11.3362 11.8348 11.8348 12.4018 12.4018 k = 0.4000 0.5000 0.4000 ( 326 PWs) bands (ev): -5.5275 -5.5275 1.9907 1.9907 2.6146 2.6146 2.8198 2.8198 11.3249 11.3249 11.8769 11.8769 12.5240 12.5240 k = 0.3933 0.5000 0.3933 ( 326 PWs) bands (ev): -5.5753 -5.5753 1.9546 1.9546 2.6487 2.6487 2.8615 2.8615 11.3165 11.3165 11.9220 11.9220 12.6536 12.6536 k = 0.3867 0.5000 0.3867 ( 326 PWs) bands (ev): -5.6252 -5.6252 1.9153 1.9153 2.6866 2.6866 2.9057 2.9057 11.3115 11.3115 11.9699 11.9699 12.7905 12.7905 k = 0.3800 0.5000 0.3800 ( 326 PWs) bands (ev): -5.6770 -5.6770 1.8730 1.8730 2.7280 2.7280 2.9525 2.9525 11.3099 11.3099 12.0207 12.0207 12.9345 12.9345 k = 0.3733 0.5000 0.3733 ( 326 PWs) bands (ev): -5.7304 -5.7304 1.8280 1.8280 2.7727 2.7727 3.0018 3.0018 11.3121 11.3121 12.0744 12.0744 13.0854 13.0854 k = 0.3667 0.5000 0.3667 ( 326 PWs) bands (ev): -5.7855 -5.7855 1.7806 1.7806 2.8205 2.8205 3.0537 3.0537 11.3182 11.3182 12.1309 12.1309 13.2430 13.2430 k = 0.3600 0.5000 0.3600 ( 326 PWs) bands (ev): -5.8419 -5.8419 1.7310 1.7310 2.8713 2.8713 3.1080 3.1080 11.3282 11.3282 12.1904 12.1904 13.4072 13.4072 k = 0.3533 0.5000 0.3533 ( 330 PWs) bands (ev): -5.8997 -5.8997 1.6796 1.6796 2.9248 2.9248 3.1648 3.1648 11.3424 11.3424 12.2526 12.2526 13.5754 13.5754 k = 0.3467 0.5000 0.3467 ( 330 PWs) bands (ev): -5.9585 -5.9585 1.6264 1.6264 2.9812 2.9812 3.2241 3.2241 11.3608 11.3608 12.3178 12.3178 13.7519 13.7519 k = 0.3400 0.5000 0.3400 ( 330 PWs) bands (ev): -6.0183 -6.0183 1.5718 1.5718 3.0402 3.0402 3.2858 3.2858 11.3835 11.3835 12.3859 12.3859 13.9343 13.9343 k = 0.3333 0.5000 0.3333 ( 330 PWs) bands (ev): -6.0789 -6.0789 1.5158 1.5158 3.1018 3.1018 3.3499 3.3499 11.4105 11.4105 12.4569 12.4569 14.1224 14.1224 k = 0.3267 0.5000 0.3267 ( 326 PWs) bands (ev): -6.1402 -6.1402 1.4587 1.4587 3.1660 3.1660 3.4164 3.4164 11.4425 11.4425 12.5308 12.5308 14.3173 14.3173 k = 0.3200 0.5000 0.3200 ( 326 PWs) bands (ev): -6.2020 -6.2020 1.4006 1.4006 3.2326 3.2326 3.4852 3.4852 11.4782 11.4782 12.6075 12.6075 14.5159 14.5159 k = 0.3133 0.5000 0.3133 ( 326 PWs) bands (ev): -6.2643 -6.2643 1.3417 1.3417 3.3015 3.3015 3.5564 3.5564 11.5182 11.5182 12.6870 12.6870 14.7194 14.7194 k = 0.3067 0.5000 0.3067 ( 326 PWs) bands (ev): -6.3268 -6.3268 1.2821 1.2821 3.3728 3.3728 3.6298 3.6298 11.5626 11.5626 12.7693 12.7693 14.9274 14.9274 k = 0.3000 0.5000 0.3000 ( 330 PWs) bands (ev): -6.3895 -6.3895 1.2220 1.2220 3.4464 3.4464 3.7053 3.7053 11.6107 11.6107 12.8545 12.8545 15.1382 15.1382 k = 0.2933 0.5000 0.2933 ( 330 PWs) bands (ev): -6.4522 -6.4522 1.1615 1.1615 3.5222 3.5222 3.7832 3.7832 11.6638 11.6638 12.9425 12.9425 15.3543 15.3543 k = 0.2867 0.5000 0.2867 ( 330 PWs) bands (ev): -6.5148 -6.5148 1.1008 1.1008 3.6001 3.6001 3.8632 3.8632 11.7211 11.7211 13.0334 13.0334 15.5738 15.5738 k = 0.2800 0.5000 0.2800 ( 330 PWs) bands (ev): -6.5773 -6.5773 1.0400 1.0400 3.6802 3.6802 3.9453 3.9453 11.7826 11.7826 13.1270 13.1270 15.7963 15.7963 k = 0.2733 0.5000 0.2733 ( 330 PWs) bands (ev): -6.6394 -6.6394 0.9792 0.9792 3.7624 3.7624 4.0295 4.0295 11.8484 11.8484 13.2235 13.2235 16.0211 16.0211 k = 0.2667 0.5000 0.2667 ( 330 PWs) bands (ev): -6.7012 -6.7012 0.9185 0.9185 3.8466 3.8466 4.1158 4.1158 11.9183 11.9183 13.3228 13.3228 16.2477 16.2477 k = 0.2600 0.5000 0.2600 ( 338 PWs) bands (ev): -6.7625 -6.7625 0.8579 0.8579 3.9326 3.9326 4.2039 4.2039 11.9913 11.9913 13.4244 13.4244 16.4746 16.4746 k = 0.2533 0.5000 0.2533 ( 338 PWs) bands (ev): -6.8232 -6.8232 0.7979 0.7979 4.0206 4.0206 4.2940 4.2940 12.0695 12.0695 13.5292 13.5292 16.7019 16.7019 k = 0.2467 0.5000 0.2467 ( 338 PWs) bands (ev): -6.8832 -6.8832 0.7383 0.7383 4.1104 4.1104 4.3860 4.3860 12.1517 12.1517 13.6368 13.6368 16.9277 16.9277 k = 0.2400 0.5000 0.2400 ( 338 PWs) bands (ev): -6.9424 -6.9424 0.6792 0.6792 4.2020 4.2020 4.4798 4.4798 12.2378 12.2378 13.7471 13.7471 17.1505 17.1505 k = 0.2333 0.5000 0.2333 ( 338 PWs) bands (ev): -7.0008 -7.0008 0.6209 0.6209 4.2952 4.2952 4.5752 4.5752 12.3279 12.3279 13.8601 13.8601 17.3680 17.3680 k = 0.2267 0.5000 0.2267 ( 336 PWs) bands (ev): -7.0583 -7.0583 0.5633 0.5633 4.3900 4.3900 4.6723 4.6723 12.4228 12.4228 13.9759 13.9759 17.5779 17.5779 k = 0.2200 0.5000 0.2200 ( 336 PWs) bands (ev): -7.1149 -7.1149 0.5065 0.5065 4.4862 4.4862 4.7710 4.7710 12.5206 12.5206 14.0943 14.0943 17.7760 17.7760 k = 0.2133 0.5000 0.2133 ( 336 PWs) bands (ev): -7.1703 -7.1703 0.4507 0.4507 4.5839 4.5839 4.8711 4.8711 12.6223 12.6223 14.2154 14.2154 17.9581 17.9581 k = 0.2067 0.5000 0.2067 ( 336 PWs) bands (ev): -7.2247 -7.2247 0.3958 0.3958 4.6828 4.6828 4.9726 4.9726 12.7277 12.7277 14.3391 14.3391 18.1184 18.1184 k = 0.2000 0.5000 0.2000 ( 336 PWs) bands (ev): -7.2778 -7.2778 0.3421 0.3421 4.7829 4.7829 5.0754 5.0754 12.8368 12.8368 14.4654 14.4654 18.2505 18.2505 k = 0.1933 0.5000 0.1933 ( 344 PWs) bands (ev): -7.3297 -7.3297 0.2894 0.2894 4.8840 4.8840 5.1792 5.1792 12.9484 12.9484 14.5941 14.5941 18.3464 18.3464 k = 0.1867 0.5000 0.1867 ( 344 PWs) bands (ev): -7.3804 -7.3804 0.2380 0.2380 4.9861 4.9861 5.2840 5.2840 13.0648 13.0648 14.7255 14.7255 18.4033 18.4033 k = 0.1800 0.5000 0.1800 ( 344 PWs) bands (ev): -7.4296 -7.4296 0.1879 0.1879 5.0889 5.0889 5.3898 5.3898 13.1847 13.1847 14.8595 14.8595 18.4173 18.4173 k = 0.1733 0.5000 0.1733 ( 344 PWs) bands (ev): -7.4775 -7.4775 0.1392 0.1392 5.1923 5.1923 5.4962 5.4962 13.3081 13.3081 14.9959 14.9959 18.3892 18.3892 k = 0.1667 0.5000 0.1667 ( 344 PWs) bands (ev): -7.5239 -7.5239 0.0919 0.0919 5.2961 5.2961 5.6032 5.6032 13.4350 13.4350 15.1347 15.1347 18.3228 18.3228 k = 0.1600 0.5000 0.1600 ( 344 PWs) bands (ev): -7.5688 -7.5688 0.0461 0.0461 5.4002 5.4002 5.7105 5.7105 13.5653 13.5653 15.2758 15.2758 18.2215 18.2215 k = 0.1533 0.5000 0.1533 ( 344 PWs) bands (ev): -7.6121 -7.6121 0.0017 0.0017 5.5043 5.5043 5.8180 5.8180 13.6989 13.6989 15.4192 15.4192 18.0812 18.0812 k = 0.1467 0.5000 0.1467 ( 338 PWs) bands (ev): -7.6539 -7.6539 -0.0410 -0.0410 5.6084 5.6084 5.9256 5.9256 13.8364 13.8364 15.5648 15.5648 17.8985 17.8985 k = 0.1400 0.5000 0.1400 ( 338 PWs) bands (ev): -7.6941 -7.6941 -0.0822 -0.0822 5.7119 5.7119 6.0327 6.0327 13.9765 13.9765 15.7125 15.7125 17.6966 17.6966 k = 0.1333 0.5000 0.1333 ( 338 PWs) bands (ev): -7.7326 -7.7326 -0.1217 -0.1217 5.8147 5.8147 6.1392 6.1392 14.1199 14.1199 15.8622 15.8622 17.4936 17.4936 k = 0.1267 0.5000 0.1267 ( 334 PWs) bands (ev): -7.7695 -7.7695 -0.1595 -0.1595 5.9168 5.9168 6.2451 6.2451 14.2666 14.2666 16.0149 16.0149 17.2969 17.2969 k = 0.1200 0.5000 0.1200 ( 338 PWs) bands (ev): -7.8046 -7.8046 -0.1956 -0.1956 6.0172 6.0172 6.3496 6.3496 14.4160 14.4160 16.1681 16.1681 17.0981 17.0981 k = 0.1133 0.5000 0.1133 ( 338 PWs) bands (ev): -7.8380 -7.8380 -0.2299 -0.2299 6.1161 6.1161 6.4525 6.4525 14.5685 14.5685 16.3228 16.3228 16.9097 16.9097 k = 0.1067 0.5000 0.1067 ( 338 PWs) bands (ev): -7.8696 -7.8696 -0.2624 -0.2624 6.2129 6.2129 6.5535 6.5535 14.7237 14.7237 16.4788 16.4788 16.7278 16.7278 k = 0.1000 0.5000 0.1000 ( 338 PWs) bands (ev): -7.8994 -7.8994 -0.2931 -0.2931 6.3074 6.3074 6.6523 6.6523 14.8818 14.8818 16.5528 16.5528 16.6358 16.6358 k = 0.0933 0.5000 0.0933 ( 338 PWs) bands (ev): -7.9274 -7.9274 -0.3220 -0.3220 6.3990 6.3990 6.7483 6.7483 15.0424 15.0424 16.3855 16.3855 16.7649 16.7649 k = 0.0867 0.5000 0.0867 ( 338 PWs) bands (ev): -7.9535 -7.9535 -0.3489 -0.3489 6.4875 6.4875 6.8412 6.8412 15.2053 15.2053 16.2262 16.2262 16.6211 16.6211 k = 0.0800 0.5000 0.0800 ( 338 PWs) bands (ev): -7.9778 -7.9778 -0.3740 -0.3740 6.5722 6.5722 6.9303 6.9303 15.3704 15.3704 16.0755 16.0755 16.4840 16.4840 k = 0.0733 0.5000 0.0733 ( 330 PWs) bands (ev): -8.0003 -8.0003 -0.3971 -0.3971 6.6530 6.6530 7.0155 7.0155 15.5392 15.5392 15.9379 15.9379 16.3545 16.3545 k = 0.0667 0.5000 0.0667 ( 330 PWs) bands (ev): -8.0208 -8.0208 -0.4183 -0.4183 6.7289 6.7289 7.0957 7.0957 15.7030 15.7030 15.8105 15.8105 16.2332 16.2332 k = 0.0600 0.5000 0.0600 ( 330 PWs) bands (ev): -8.0394 -8.0394 -0.4375 -0.4375 6.7996 6.7996 7.1706 7.1706 15.6788 15.6788 15.8816 15.8816 16.1219 16.1219 k = 0.0533 0.5000 0.0533 ( 330 PWs) bands (ev): -8.0561 -8.0561 -0.4547 -0.4547 6.8646 6.8646 7.2396 7.2396 15.5695 15.5695 16.0036 16.0036 16.0658 16.0658 k = 0.0467 0.5000 0.0467 ( 330 PWs) bands (ev): -8.0708 -8.0708 -0.4700 -0.4700 6.9234 6.9234 7.3022 7.3022 15.4702 15.4702 15.9214 15.9214 16.2251 16.2251 k = 0.0400 0.5000 0.0400 ( 330 PWs) bands (ev): -8.0836 -8.0836 -0.4832 -0.4832 6.9755 6.9755 7.3578 7.3578 15.3825 15.3826 15.8406 15.8406 16.3925 16.3925 k = 0.0333 0.5000 0.0333 ( 330 PWs) bands (ev): -8.0945 -8.0945 -0.4944 -0.4944 7.0205 7.0205 7.4059 7.4059 15.3073 15.3073 15.7707 15.7707 16.5565 16.5565 k = 0.0267 0.5000 0.0267 ( 334 PWs) bands (ev): -8.1034 -8.1034 -0.5036 -0.5036 7.0579 7.0579 7.4459 7.4459 15.2406 15.2406 15.7124 15.7124 16.7130 16.7130 k = 0.0200 0.5000 0.0200 ( 336 PWs) bands (ev): -8.1103 -8.1103 -0.5108 -0.5108 7.0874 7.0874 7.4775 7.4775 15.1916 15.1916 15.6664 15.6664 16.8562 16.8562 k = 0.0133 0.5000 0.0133 ( 336 PWs) bands (ev): -8.1152 -8.1152 -0.5159 -0.5159 7.1087 7.1087 7.5004 7.5004 15.1564 15.1564 15.6335 15.6335 16.9763 16.9763 k = 0.0067 0.5000 0.0067 ( 336 PWs) bands (ev): -8.1182 -8.1182 -0.5190 -0.5190 7.1216 7.1216 7.5142 7.5142 15.1351 15.1351 15.6137 15.6137 17.0593 17.0593 k = 0.0000 0.5000-0.0000 ( 336 PWs) bands (ev): -8.1192 -8.1192 -0.5200 -0.5200 7.1259 7.1259 7.5189 7.5189 15.1280 15.1280 15.6071 15.6071 17.0894 17.0894 k = 0.5000 0.5000-0.0000 ( 356 PWs) bands (ev): -6.6270 -6.6270 0.9174 0.9174 1.1447 1.1447 8.2689 8.2689 8.9689 8.9689 17.6567 17.6567 20.3951 20.3951 k = 0.5000 0.5000 0.0094 ( 340 PWs) bands (ev): -6.6260 -6.6260 0.9185 0.9185 1.1458 1.1458 8.2611 8.2611 8.9712 8.9712 17.6777 17.6777 20.3211 20.3212 k = 0.5000 0.5000 0.0189 ( 340 PWs) bands (ev): -6.6231 -6.6231 0.9212 0.9212 1.1486 1.1486 8.2367 8.2367 8.9753 8.9753 17.7115 17.7115 20.1285 20.1285 k = 0.5000 0.5000 0.0283 ( 332 PWs) bands (ev): -6.6181 -6.6181 0.9259 0.9259 1.1534 1.1534 8.1965 8.1965 8.9846 8.9846 17.7703 17.7703 19.8902 19.8902 k = 0.5000 0.5000 0.0377 ( 332 PWs) bands (ev): -6.6113 -6.6113 0.9323 0.9323 1.1600 1.1600 8.1411 8.1411 8.9940 8.9940 17.8477 17.8477 19.6344 19.6344 k = 0.5000 0.5000 0.0472 ( 332 PWs) bands (ev): -6.6025 -6.6025 0.9406 0.9406 1.1685 1.1685 8.0712 8.0712 9.0062 9.0062 17.9458 17.9458 19.3718 19.3718 k = 0.5000 0.5000 0.0566 ( 332 PWs) bands (ev): -6.5918 -6.5918 0.9506 0.9506 1.1788 1.1788 7.9879 7.9879 9.0210 9.0210 18.0637 18.0637 19.1070 19.1070 k = 0.5000 0.5000 0.0660 ( 332 PWs) bands (ev): -6.5791 -6.5791 0.9624 0.9624 1.1909 1.1909 7.8920 7.8920 9.0385 9.0385 18.2001 18.2001 18.8426 18.8426 k = 0.5000 0.5000 0.0755 ( 332 PWs) bands (ev): -6.5646 -6.5646 0.9760 0.9760 1.2049 1.2049 7.7848 7.7848 9.0586 9.0586 18.3526 18.3526 18.5811 18.5811 k = 0.5000 0.5000 0.0849 ( 332 PWs) bands (ev): -6.5482 -6.5482 0.9913 0.9913 1.2207 1.2207 7.6673 7.6673 9.0814 9.0814 18.3129 18.3129 18.3601 18.3601 k = 0.5000 0.5000 0.0943 ( 332 PWs) bands (ev): -6.5299 -6.5299 1.0084 1.0084 1.2382 1.2382 7.5406 7.5406 9.1069 9.1069 18.0562 18.0562 18.1011 18.1011 k = 0.5000 0.5000 0.1038 ( 332 PWs) bands (ev): -6.5098 -6.5098 1.0271 1.0271 1.2574 1.2574 7.4059 7.4059 9.1350 9.1350 17.8006 17.8006 17.8448 17.8448 k = 0.5000 0.5000 0.1132 ( 332 PWs) bands (ev): -6.4879 -6.4879 1.0474 1.0474 1.2784 1.2784 7.2642 7.2642 9.1657 9.1657 17.5477 17.5477 17.5914 17.5914 k = 0.5000 0.5000 0.1226 ( 332 PWs) bands (ev): -6.4643 -6.4643 1.0694 1.0694 1.3010 1.3010 7.1165 7.1165 9.1991 9.1991 17.2981 17.2981 17.3412 17.3412 k = 0.5000 0.5000 0.1321 ( 332 PWs) bands (ev): -6.4389 -6.4389 1.0929 1.0929 1.3252 1.3252 6.9637 6.9637 9.2350 9.2350 17.0520 17.0520 17.0943 17.0943 k = 0.5000 0.5000 0.1415 ( 332 PWs) bands (ev): -6.4118 -6.4118 1.1180 1.1180 1.3511 1.3511 6.8067 6.8067 9.2735 9.2735 16.8094 16.8094 16.8510 16.8510 k = 0.5000 0.5000 0.1509 ( 332 PWs) bands (ev): -6.3831 -6.3831 1.1445 1.1445 1.3784 1.3784 6.6463 6.6463 9.3145 9.3145 16.5706 16.5706 16.6114 16.6114 k = 0.5000 0.5000 0.1604 ( 332 PWs) bands (ev): -6.3529 -6.3529 1.1725 1.1725 1.4073 1.4073 6.4832 6.4832 9.3581 9.3581 16.3356 16.3356 16.3755 16.3755 k = 0.5000 0.5000 0.1698 ( 324 PWs) bands (ev): -6.3210 -6.3210 1.2019 1.2019 1.4376 1.4376 6.3182 6.3182 9.4047 9.4047 16.1071 16.1071 16.1462 16.1462 k = 0.5000 0.5000 0.1792 ( 324 PWs) bands (ev): -6.2878 -6.2878 1.2324 1.2324 1.4692 1.4692 6.1517 6.1517 9.4532 9.4532 15.8802 15.8802 15.9182 15.9182 k = 0.5000 0.5000 0.1887 ( 324 PWs) bands (ev): -6.2531 -6.2531 1.2642 1.2642 1.5021 1.5021 5.9845 5.9845 9.5041 9.5041 15.6574 15.6574 15.6944 15.6944 k = 0.5000 0.5000 0.1981 ( 324 PWs) bands (ev): -6.2170 -6.2170 1.2972 1.2972 1.5362 1.5362 5.8170 5.8170 9.5574 9.5574 15.4389 15.4389 15.4748 15.4748 k = 0.5000 0.5000 0.2075 ( 324 PWs) bands (ev): -6.1798 -6.1798 1.3311 1.3311 1.5715 1.5715 5.6497 5.6497 9.6131 9.6131 15.2248 15.2248 15.2596 15.2596 k = 0.5000 0.5000 0.2170 ( 324 PWs) bands (ev): -6.1413 -6.1413 1.3661 1.3661 1.6077 1.6077 5.4830 5.4830 9.6710 9.6710 15.0152 15.0152 15.0488 15.0488 k = 0.5000 0.5000 0.2264 ( 324 PWs) bands (ev): -6.1017 -6.1017 1.4019 1.4019 1.6450 1.6450 5.3175 5.3175 9.7312 9.7312 14.8102 14.8102 14.8427 14.8427 k = 0.5000 0.5000 0.2358 ( 324 PWs) bands (ev): -6.0612 -6.0612 1.4386 1.4386 1.6831 1.6831 5.1535 5.1535 9.7935 9.7935 14.6100 14.6100 14.6412 14.6412 k = 0.5000 0.5000 0.2453 ( 320 PWs) bands (ev): -6.0197 -6.0197 1.4758 1.4758 1.7220 1.7220 4.9914 4.9914 9.8580 9.8580 14.4148 14.4148 14.4448 14.4448 k = 0.5000 0.5000 0.2547 ( 320 PWs) bands (ev): -5.9775 -5.9775 1.5136 1.5136 1.7615 1.7615 4.8315 4.8315 9.9245 9.9245 14.2245 14.2245 14.2531 14.2531 k = 0.5000 0.5000 0.2642 ( 324 PWs) bands (ev): -5.9346 -5.9346 1.5519 1.5519 1.8015 1.8015 4.6739 4.6739 9.9928 9.9928 14.0381 14.0381 14.0654 14.0654 k = 0.5000 0.5000 0.2736 ( 324 PWs) bands (ev): -5.8912 -5.8912 1.5904 1.5904 1.8419 1.8419 4.5195 4.5195 10.0630 10.0630 13.8582 13.8582 13.8841 13.8841 k = 0.5000 0.5000 0.2830 ( 324 PWs) bands (ev): -5.8474 -5.8474 1.6291 1.6291 1.8826 1.8826 4.3684 4.3684 10.1350 10.1350 13.6837 13.6837 13.7082 13.7082 k = 0.5000 0.5000 0.2925 ( 324 PWs) bands (ev): -5.8033 -5.8033 1.6678 1.6678 1.9235 1.9235 4.2208 4.2208 10.2085 10.2085 13.5148 13.5148 13.5379 13.5379 k = 0.5000 0.5000 0.3019 ( 324 PWs) bands (ev): -5.7591 -5.7591 1.7063 1.7063 1.9643 1.9643 4.0771 4.0771 10.2835 10.2835 13.3515 13.3515 13.3732 13.3732 k = 0.5000 0.5000 0.3113 ( 324 PWs) bands (ev): -5.7150 -5.7150 1.7444 1.7444 2.0050 2.0050 3.9376 3.9376 10.3598 10.3598 13.1942 13.1942 13.2144 13.2144 k = 0.5000 0.5000 0.3208 ( 324 PWs) bands (ev): -5.6711 -5.6711 1.7821 1.7821 2.0453 2.0453 3.8026 3.8026 10.4371 10.4371 13.0429 13.0429 13.0617 13.0617 k = 0.5000 0.5000 0.3302 ( 324 PWs) bands (ev): -5.6276 -5.6276 1.8190 1.8190 2.0851 2.0851 3.6725 3.6725 10.5153 10.5153 12.8978 12.8978 12.9151 12.9151 k = 0.5000 0.5000 0.3396 ( 324 PWs) bands (ev): -5.5847 -5.5847 1.8550 1.8550 2.1243 2.1243 3.5475 3.5475 10.5942 10.5942 12.7591 12.7591 12.7750 12.7750 k = 0.5000 0.5000 0.3491 ( 324 PWs) bands (ev): -5.5426 -5.5426 1.8899 1.8899 2.1626 2.1626 3.4280 3.4280 10.6734 10.6734 12.6269 12.6269 12.6414 12.6414 k = 0.5000 0.5000 0.3585 ( 324 PWs) bands (ev): -5.5015 -5.5015 1.9233 1.9233 2.1999 2.1999 3.3144 3.3144 10.7525 10.7525 12.5016 12.5016 12.5146 12.5146 k = 0.5000 0.5000 0.3679 ( 324 PWs) bands (ev): -5.4616 -5.4616 1.9552 1.9552 2.2360 2.2360 3.2070 3.2070 10.8314 10.8314 12.3831 12.3831 12.3947 12.3947 k = 0.5000 0.5000 0.3774 ( 324 PWs) bands (ev): -5.4231 -5.4231 1.9851 1.9851 2.2706 2.2706 3.1061 3.1061 10.9094 10.9094 12.2718 12.2718 12.2820 12.2820 k = 0.5000 0.5000 0.3868 ( 324 PWs) bands (ev): -5.3863 -5.3863 2.0127 2.0127 2.3037 2.3037 3.0123 3.0123 10.9862 10.9862 12.1678 12.1678 12.1767 12.1767 k = 0.5000 0.5000 0.3962 ( 324 PWs) bands (ev): -5.3514 -5.3514 2.0379 2.0379 2.3350 2.3350 2.9259 2.9259 11.0612 11.0612 12.0712 12.0712 12.0789 12.0789 k = 0.5000 0.5000 0.4057 ( 324 PWs) bands (ev): -5.3186 -5.3186 2.0601 2.0601 2.3643 2.3643 2.8473 2.8473 11.1337 11.1337 11.9824 11.9824 11.9889 11.9889 k = 0.5000 0.5000 0.4151 ( 324 PWs) bands (ev): -5.2881 -5.2881 2.0792 2.0792 2.3915 2.3915 2.7769 2.7769 11.2032 11.2032 11.9014 11.9014 11.9067 11.9067 k = 0.5000 0.5000 0.4245 ( 324 PWs) bands (ev): -5.2602 -5.2602 2.0948 2.0948 2.4163 2.4163 2.7152 2.7152 11.2688 11.2688 11.8284 11.8284 11.8327 11.8327 k = 0.5000 0.5000 0.4340 ( 324 PWs) bands (ev): -5.2350 -5.2350 2.1066 2.1066 2.4387 2.4387 2.6624 2.6624 11.3296 11.3296 11.7636 11.7636 11.7669 11.7669 k = 0.5000 0.5000 0.4434 ( 324 PWs) bands (ev): -5.2127 -5.2127 2.1148 2.1148 2.4584 2.4584 2.6186 2.6186 11.3849 11.3849 11.7071 11.7071 11.7096 11.7096 k = 0.5000 0.5000 0.4528 ( 312 PWs) bands (ev): -5.1935 -5.1935 2.1197 2.1197 2.4755 2.4755 2.5837 2.5837 11.4350 11.4350 11.6621 11.6621 11.6638 11.6638 k = 0.5000 0.5000 0.4623 ( 312 PWs) bands (ev): -5.1775 -5.1775 2.1217 2.1217 2.4895 2.4895 2.5569 2.5569 11.4765 11.4765 11.6226 11.6226 11.6237 11.6237 k = 0.5000 0.5000 0.4717 ( 304 PWs) bands (ev): -5.1650 -5.1650 2.1217 2.1217 2.5006 2.5006 2.5376 2.5376 11.5099 11.5099 11.5938 11.5938 11.5945 11.5945 k = 0.5000 0.5000 0.4811 ( 304 PWs) bands (ev): -5.1560 -5.1560 2.1207 2.1207 2.5085 2.5085 2.5246 2.5246 11.5342 11.5342 11.5718 11.5718 11.5721 11.5721 k = 0.5000 0.5000 0.4906 ( 304 PWs) bands (ev): -5.1505 -5.1505 2.1197 2.1197 2.5133 2.5133 2.5173 2.5173 11.5491 11.5491 11.5585 11.5585 11.5586 11.5586 k = 0.5000 0.5000 0.5000 ( 304 PWs) bands (ev): -5.1487 -5.1487 2.1193 2.1193 2.5149 2.5149 2.5149 2.5149 11.5541 11.5541 11.5541 11.5541 11.5541 11.5541 Writing output data file Se.save init_run : 0.04s CPU 0.38s WALL ( 1 calls) electrons : 16.13s CPU 16.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 16.12s CPU 16.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.00s WALL ( 407 calls) cegterg : 13.62s CPU 14.19s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 4.98s CPU 5.35s WALL ( 5949 calls) s_psi : 0.07s CPU 0.05s WALL ( 5949 calls) g_psi : 0.00s CPU 0.01s WALL ( 5097 calls) cdiaghg : 8.06s CPU 8.31s WALL ( 5504 calls) cegterg:over : 0.48s CPU 0.45s WALL ( 5097 calls) cegterg:upda : 0.28s CPU 0.33s WALL ( 5097 calls) cegterg:last : 0.18s CPU 0.18s WALL ( 1223 calls) cdiaghg:chol : 0.55s CPU 0.50s WALL ( 5504 calls) cdiaghg:inve : 0.07s CPU 0.12s WALL ( 5504 calls) cdiaghg:para : 0.58s CPU 0.66s WALL ( 11008 calls) Called by h_psi: h_psi:vloc : 4.70s CPU 5.07s WALL ( 5949 calls) h_psi:vnl : 0.25s CPU 0.26s WALL ( 5949 calls) add_vuspsi : 0.04s CPU 0.07s WALL ( 5949 calls) General routines calbec : 0.20s CPU 0.18s WALL ( 5949 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 4.52s CPU 4.84s WALL ( 202820 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.15s WALL ( 814 calls) Parallel routines fft_scatter : 3.09s CPU 3.28s WALL ( 202843 calls) PWSCF : 19.63s CPU 29.45s WALL This run was terminated on: 21:14: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=