Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:57 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: ./S.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 13 11 3 213 173 31 Max 15 12 4 215 182 36 Sum 481 421 137 7689 6355 1213 bravais-lattice index = 14 lattice parameter (alat) = 5.6871 a.u. unit-cell volume = 183.9414 (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 = 40.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.687130 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 S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 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= 404 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0000000 0.0094340 -0.0000000), wk = 0.0024752 k( 3) = ( 0.0000000 0.0188679 -0.0000000), wk = 0.0024752 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0024752 k( 5) = ( 0.0000000 0.0377359 -0.0000000), wk = 0.0024752 k( 6) = ( 0.0000000 0.0471698 -0.0000000), wk = 0.0024752 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0024752 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0024752 k( 9) = ( 0.0000000 0.0754717 -0.0000000), wk = 0.0024752 k( 10) = ( 0.0000000 0.0849057 -0.0000000), wk = 0.0024752 k( 11) = ( 0.0000000 0.0943396 -0.0000000), wk = 0.0024752 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0024752 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0024752 k( 14) = ( 0.0000000 0.1226415 -0.0000000), wk = 0.0024752 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0024752 k( 16) = ( 0.0000000 0.1415094 -0.0000000), wk = 0.0024752 k( 17) = ( 0.0000000 0.1509434 -0.0000000), wk = 0.0024752 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0024752 k( 19) = ( 0.0000000 0.1698113 -0.0000000), wk = 0.0024752 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0024752 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0024752 k( 22) = ( 0.0000000 0.1981132 -0.0000000), wk = 0.0024752 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0024752 k( 24) = ( 0.0000000 0.2169811 -0.0000000), wk = 0.0024752 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0024752 k( 26) = ( 0.0000000 0.2358491 -0.0000000), wk = 0.0024752 k( 27) = ( 0.0000000 0.2452830 -0.0000000), wk = 0.0024752 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0024752 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0024752 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0024752 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0024752 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0024752 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0024752 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0024752 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0024752 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0024752 k( 37) = ( 0.0000000 0.3396226 -0.0000000), wk = 0.0024752 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0024752 k( 39) = ( 0.0000000 0.3584906 -0.0000000), wk = 0.0024752 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0024752 k( 41) = ( 0.0000000 0.3773585 -0.0000000), wk = 0.0024752 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0024752 k( 43) = ( 0.0000000 0.3962264 -0.0000000), wk = 0.0024752 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0024752 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0024752 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0024752 k( 47) = ( 0.0000000 0.4339623 -0.0000000), wk = 0.0024752 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0024752 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0024752 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0024752 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0024752 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0024752 k( 53) = ( 0.0000000 0.4905660 -0.0000000), wk = 0.0024752 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0024752 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0024752 k( 58) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0024752 k( 59) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0024752 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0024752 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0024752 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0024752 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0024752 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0024752 k( 65) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0024752 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0024752 k( 67) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0024752 k( 68) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0024752 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0024752 k( 70) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0024752 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0024752 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0024752 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0024752 k( 74) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0024752 k( 75) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0024752 k( 76) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0024752 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0024752 k( 78) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0024752 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0024752 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0024752 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0024752 k( 82) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0024752 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0024752 k( 84) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0024752 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0024752 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0024752 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0024752 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0024752 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0024752 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024752 k( 91) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0024752 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0024752 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0024752 k( 94) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0024752 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0024752 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024752 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0024752 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0024752 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0024752 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0024752 k( 101) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0024752 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0024752 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0024752 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0024752 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0024752 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0024752 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0024752 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024752 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024752 k( 110) = ( 0.4932432 0.4932432 -0.0000000), wk = 0.0024752 k( 111) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0024752 k( 112) = ( 0.4797297 0.4797297 -0.0000000), wk = 0.0024752 k( 113) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0024752 k( 114) = ( 0.4662162 0.4662162 -0.0000000), wk = 0.0024752 k( 115) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0024752 k( 116) = ( 0.4527027 0.4527027 -0.0000000), wk = 0.0024752 k( 117) = ( 0.4459459 0.4459459 -0.0000000), wk = 0.0024752 k( 118) = ( 0.4391892 0.4391892 -0.0000000), wk = 0.0024752 k( 119) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0024752 k( 120) = ( 0.4256757 0.4256757 -0.0000000), wk = 0.0024752 k( 121) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0024752 k( 122) = ( 0.4121622 0.4121622 -0.0000000), wk = 0.0024752 k( 123) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0024752 k( 124) = ( 0.3986486 0.3986486 -0.0000000), wk = 0.0024752 k( 125) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0024752 k( 126) = ( 0.3851351 0.3851351 -0.0000000), wk = 0.0024752 k( 127) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0024752 k( 128) = ( 0.3716216 0.3716216 -0.0000000), wk = 0.0024752 k( 129) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0024752 k( 130) = ( 0.3581081 0.3581081 -0.0000000), wk = 0.0024752 k( 131) = ( 0.3513514 0.3513513 -0.0000000), wk = 0.0024752 k( 132) = ( 0.3445946 0.3445946 -0.0000000), wk = 0.0024752 k( 133) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0024752 k( 134) = ( 0.3310811 0.3310811 -0.0000000), wk = 0.0024752 k( 135) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0024752 k( 136) = ( 0.3175676 0.3175676 -0.0000000), wk = 0.0024752 k( 137) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0024752 k( 138) = ( 0.3040541 0.3040540 -0.0000000), wk = 0.0024752 k( 139) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0024752 k( 140) = ( 0.2905405 0.2905405 -0.0000000), wk = 0.0024752 k( 141) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0024752 k( 142) = ( 0.2770270 0.2770270 -0.0000000), wk = 0.0024752 k( 143) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0024752 k( 144) = ( 0.2635135 0.2635135 -0.0000000), wk = 0.0024752 k( 145) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0024752 k( 146) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024752 k( 147) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0024752 k( 148) = ( 0.2364865 0.2364865 -0.0000000), wk = 0.0024752 k( 149) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0024752 k( 150) = ( 0.2229730 0.2229730 -0.0000000), wk = 0.0024752 k( 151) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0024752 k( 152) = ( 0.2094595 0.2094595 -0.0000000), wk = 0.0024752 k( 153) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0024752 k( 154) = ( 0.1959460 0.1959459 -0.0000000), wk = 0.0024752 k( 155) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0024752 k( 156) = ( 0.1824324 0.1824324 -0.0000000), wk = 0.0024752 k( 157) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0024752 k( 158) = ( 0.1689189 0.1689189 -0.0000000), wk = 0.0024752 k( 159) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0024752 k( 160) = ( 0.1554054 0.1554054 -0.0000000), wk = 0.0024752 k( 161) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0024752 k( 162) = ( 0.1418919 0.1418919 -0.0000000), wk = 0.0024752 k( 163) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0024752 k( 164) = ( 0.1283784 0.1283784 -0.0000000), wk = 0.0024752 k( 165) = ( 0.1216216 0.1216216 -0.0000000), wk = 0.0024752 k( 166) = ( 0.1148649 0.1148649 -0.0000000), wk = 0.0024752 k( 167) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0024752 k( 168) = ( 0.1013514 0.1013513 -0.0000000), wk = 0.0024752 k( 169) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0024752 k( 170) = ( 0.0878378 0.0878378 -0.0000000), wk = 0.0024752 k( 171) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0024752 k( 172) = ( 0.0743243 0.0743243 -0.0000000), wk = 0.0024752 k( 173) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0024752 k( 174) = ( 0.0608108 0.0608108 -0.0000000), wk = 0.0024752 k( 175) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0024752 k( 176) = ( 0.0472973 0.0472973 -0.0000000), wk = 0.0024752 k( 177) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0024752 k( 178) = ( 0.0337838 0.0337838 -0.0000000), wk = 0.0024752 k( 179) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0024752 k( 180) = ( 0.0202703 0.0202703 -0.0000000), wk = 0.0024752 k( 181) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0024752 k( 182) = ( 0.0067568 0.0067568 -0.0000000), wk = 0.0024752 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 185) = ( 0.0054945 0.0054945 0.0054945), wk = 0.0024752 k( 186) = ( 0.0109890 0.0109890 0.0109890), wk = 0.0024752 k( 187) = ( 0.0164835 0.0164835 0.0164835), wk = 0.0024752 k( 188) = ( 0.0219780 0.0219780 0.0219780), wk = 0.0024752 k( 189) = ( 0.0274725 0.0274725 0.0274725), wk = 0.0024752 k( 190) = ( 0.0329670 0.0329670 0.0329670), wk = 0.0024752 k( 191) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0024752 k( 192) = ( 0.0439560 0.0439560 0.0439560), wk = 0.0024752 k( 193) = ( 0.0494506 0.0494505 0.0494505), wk = 0.0024752 k( 194) = ( 0.0549451 0.0549450 0.0549450), wk = 0.0024752 k( 195) = ( 0.0604396 0.0604396 0.0604396), wk = 0.0024752 k( 196) = ( 0.0659341 0.0659341 0.0659341), wk = 0.0024752 k( 197) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0024752 k( 198) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0024752 k( 199) = ( 0.0824176 0.0824176 0.0824176), wk = 0.0024752 k( 200) = ( 0.0879121 0.0879121 0.0879121), wk = 0.0024752 k( 201) = ( 0.0934066 0.0934066 0.0934066), wk = 0.0024752 k( 202) = ( 0.0989011 0.0989011 0.0989011), wk = 0.0024752 k( 203) = ( 0.1043956 0.1043956 0.1043956), wk = 0.0024752 k( 204) = ( 0.1098901 0.1098901 0.1098901), wk = 0.0024752 k( 205) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0024752 k( 206) = ( 0.1208791 0.1208791 0.1208791), wk = 0.0024752 k( 207) = ( 0.1263736 0.1263736 0.1263736), wk = 0.0024752 k( 208) = ( 0.1318681 0.1318681 0.1318681), wk = 0.0024752 k( 209) = ( 0.1373626 0.1373626 0.1373626), wk = 0.0024752 k( 210) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0024752 k( 211) = ( 0.1483517 0.1483516 0.1483516), wk = 0.0024752 k( 212) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0024752 k( 213) = ( 0.1593407 0.1593407 0.1593407), wk = 0.0024752 k( 214) = ( 0.1648352 0.1648352 0.1648352), wk = 0.0024752 k( 215) = ( 0.1703297 0.1703297 0.1703297), wk = 0.0024752 k( 216) = ( 0.1758242 0.1758242 0.1758242), wk = 0.0024752 k( 217) = ( 0.1813187 0.1813187 0.1813187), wk = 0.0024752 k( 218) = ( 0.1868132 0.1868132 0.1868132), wk = 0.0024752 k( 219) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0024752 k( 220) = ( 0.1978022 0.1978022 0.1978022), wk = 0.0024752 k( 221) = ( 0.2032967 0.2032967 0.2032967), wk = 0.0024752 k( 222) = ( 0.2087912 0.2087912 0.2087912), wk = 0.0024752 k( 223) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0024752 k( 224) = ( 0.2197802 0.2197802 0.2197802), wk = 0.0024752 k( 225) = ( 0.2252747 0.2252747 0.2252747), wk = 0.0024752 k( 226) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0024752 k( 227) = ( 0.2362637 0.2362637 0.2362637), wk = 0.0024752 k( 228) = ( 0.2417582 0.2417582 0.2417582), wk = 0.0024752 k( 229) = ( 0.2472527 0.2472527 0.2472527), wk = 0.0024752 k( 230) = ( 0.2527472 0.2527472 0.2527472), wk = 0.0024752 k( 231) = ( 0.2582418 0.2582418 0.2582418), wk = 0.0024752 k( 232) = ( 0.2637363 0.2637363 0.2637363), wk = 0.0024752 k( 233) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0024752 k( 234) = ( 0.2747253 0.2747253 0.2747253), wk = 0.0024752 k( 235) = ( 0.2802198 0.2802198 0.2802198), wk = 0.0024752 k( 236) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0024752 k( 237) = ( 0.2912088 0.2912088 0.2912088), wk = 0.0024752 k( 238) = ( 0.2967033 0.2967033 0.2967033), wk = 0.0024752 k( 239) = ( 0.3021978 0.3021978 0.3021978), wk = 0.0024752 k( 240) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0024752 k( 241) = ( 0.3131868 0.3131868 0.3131868), wk = 0.0024752 k( 242) = ( 0.3186813 0.3186813 0.3186813), wk = 0.0024752 k( 243) = ( 0.3241758 0.3241758 0.3241758), wk = 0.0024752 k( 244) = ( 0.3296703 0.3296703 0.3296703), wk = 0.0024752 k( 245) = ( 0.3351648 0.3351648 0.3351648), wk = 0.0024752 k( 246) = ( 0.3406593 0.3406593 0.3406593), wk = 0.0024752 k( 247) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0024752 k( 248) = ( 0.3516483 0.3516483 0.3516483), wk = 0.0024752 k( 249) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0024752 k( 250) = ( 0.3626374 0.3626374 0.3626374), wk = 0.0024752 k( 251) = ( 0.3681319 0.3681319 0.3681319), wk = 0.0024752 k( 252) = ( 0.3736264 0.3736264 0.3736264), wk = 0.0024752 k( 253) = ( 0.3791209 0.3791209 0.3791209), wk = 0.0024752 k( 254) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0024752 k( 255) = ( 0.3901099 0.3901099 0.3901099), wk = 0.0024752 k( 256) = ( 0.3956044 0.3956044 0.3956044), wk = 0.0024752 k( 257) = ( 0.4010989 0.4010989 0.4010989), wk = 0.0024752 k( 258) = ( 0.4065934 0.4065934 0.4065934), wk = 0.0024752 k( 259) = ( 0.4120879 0.4120879 0.4120879), wk = 0.0024752 k( 260) = ( 0.4175824 0.4175824 0.4175824), wk = 0.0024752 k( 261) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0024752 k( 262) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0024752 k( 263) = ( 0.4340659 0.4340659 0.4340659), wk = 0.0024752 k( 264) = ( 0.4395604 0.4395604 0.4395604), wk = 0.0024752 k( 265) = ( 0.4450550 0.4450549 0.4450549), wk = 0.0024752 k( 266) = ( 0.4505495 0.4505494 0.4505494), wk = 0.0024752 k( 267) = ( 0.4560440 0.4560440 0.4560440), wk = 0.0024752 k( 268) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0024752 k( 269) = ( 0.4670330 0.4670330 0.4670330), wk = 0.0024752 k( 270) = ( 0.4725275 0.4725275 0.4725275), wk = 0.0024752 k( 271) = ( 0.4780220 0.4780220 0.4780220), wk = 0.0024752 k( 272) = ( 0.4835165 0.4835165 0.4835165), wk = 0.0024752 k( 273) = ( 0.4890110 0.4890110 0.4890110), wk = 0.0024752 k( 274) = ( 0.4945055 0.4945055 0.4945055), wk = 0.0024752 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 277) = ( 0.4932432 0.5000000 0.4932432), wk = 0.0024752 k( 278) = ( 0.4864865 0.5000000 0.4864865), wk = 0.0024752 k( 279) = ( 0.4797297 0.5000000 0.4797297), wk = 0.0024752 k( 280) = ( 0.4729730 0.5000000 0.4729730), wk = 0.0024752 k( 281) = ( 0.4662162 0.5000000 0.4662162), wk = 0.0024752 k( 282) = ( 0.4594595 0.5000000 0.4594595), wk = 0.0024752 k( 283) = ( 0.4527027 0.5000000 0.4527027), wk = 0.0024752 k( 284) = ( 0.4459459 0.5000000 0.4459459), wk = 0.0024752 k( 285) = ( 0.4391892 0.5000000 0.4391892), wk = 0.0024752 k( 286) = ( 0.4324324 0.5000000 0.4324324), wk = 0.0024752 k( 287) = ( 0.4256757 0.5000000 0.4256757), wk = 0.0024752 k( 288) = ( 0.4189189 0.5000000 0.4189189), wk = 0.0024752 k( 289) = ( 0.4121622 0.5000000 0.4121622), wk = 0.0024752 k( 290) = ( 0.4054054 0.5000000 0.4054054), wk = 0.0024752 k( 291) = ( 0.3986486 0.5000000 0.3986486), wk = 0.0024752 k( 292) = ( 0.3918919 0.5000000 0.3918919), wk = 0.0024752 k( 293) = ( 0.3851351 0.5000000 0.3851351), wk = 0.0024752 k( 294) = ( 0.3783784 0.5000000 0.3783784), wk = 0.0024752 k( 295) = ( 0.3716216 0.5000000 0.3716216), wk = 0.0024752 k( 296) = ( 0.3648649 0.5000000 0.3648649), wk = 0.0024752 k( 297) = ( 0.3581081 0.5000000 0.3581081), wk = 0.0024752 k( 298) = ( 0.3513514 0.5000000 0.3513513), wk = 0.0024752 k( 299) = ( 0.3445946 0.5000000 0.3445946), wk = 0.0024752 k( 300) = ( 0.3378378 0.5000000 0.3378378), wk = 0.0024752 k( 301) = ( 0.3310811 0.5000000 0.3310811), wk = 0.0024752 k( 302) = ( 0.3243243 0.5000000 0.3243243), wk = 0.0024752 k( 303) = ( 0.3175676 0.5000000 0.3175676), wk = 0.0024752 k( 304) = ( 0.3108108 0.5000000 0.3108108), wk = 0.0024752 k( 305) = ( 0.3040541 0.5000000 0.3040540), wk = 0.0024752 k( 306) = ( 0.2972973 0.5000000 0.2972973), wk = 0.0024752 k( 307) = ( 0.2905405 0.5000000 0.2905405), wk = 0.0024752 k( 308) = ( 0.2837838 0.5000000 0.2837838), wk = 0.0024752 k( 309) = ( 0.2770270 0.5000000 0.2770270), wk = 0.0024752 k( 310) = ( 0.2702703 0.5000000 0.2702703), wk = 0.0024752 k( 311) = ( 0.2635135 0.5000000 0.2635135), wk = 0.0024752 k( 312) = ( 0.2567568 0.5000000 0.2567568), wk = 0.0024752 k( 313) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0024752 k( 314) = ( 0.2432432 0.5000000 0.2432432), wk = 0.0024752 k( 315) = ( 0.2364865 0.5000000 0.2364865), wk = 0.0024752 k( 316) = ( 0.2297297 0.5000000 0.2297297), wk = 0.0024752 k( 317) = ( 0.2229730 0.5000000 0.2229730), wk = 0.0024752 k( 318) = ( 0.2162162 0.5000000 0.2162162), wk = 0.0024752 k( 319) = ( 0.2094595 0.5000000 0.2094595), wk = 0.0024752 k( 320) = ( 0.2027027 0.5000000 0.2027027), wk = 0.0024752 k( 321) = ( 0.1959460 0.5000000 0.1959459), wk = 0.0024752 k( 322) = ( 0.1891892 0.5000000 0.1891892), wk = 0.0024752 k( 323) = ( 0.1824324 0.5000000 0.1824324), wk = 0.0024752 k( 324) = ( 0.1756757 0.5000000 0.1756757), wk = 0.0024752 k( 325) = ( 0.1689189 0.5000000 0.1689189), wk = 0.0024752 k( 326) = ( 0.1621622 0.5000000 0.1621622), wk = 0.0024752 k( 327) = ( 0.1554054 0.5000000 0.1554054), wk = 0.0024752 k( 328) = ( 0.1486486 0.5000000 0.1486486), wk = 0.0024752 k( 329) = ( 0.1418919 0.5000000 0.1418919), wk = 0.0024752 k( 330) = ( 0.1351351 0.5000000 0.1351351), wk = 0.0024752 k( 331) = ( 0.1283784 0.5000000 0.1283784), wk = 0.0024752 k( 332) = ( 0.1216216 0.5000000 0.1216216), wk = 0.0024752 k( 333) = ( 0.1148649 0.5000000 0.1148649), wk = 0.0024752 k( 334) = ( 0.1081081 0.5000000 0.1081081), wk = 0.0024752 k( 335) = ( 0.1013514 0.5000000 0.1013513), wk = 0.0024752 k( 336) = ( 0.0945946 0.5000000 0.0945946), wk = 0.0024752 k( 337) = ( 0.0878378 0.5000000 0.0878378), wk = 0.0024752 k( 338) = ( 0.0810811 0.5000000 0.0810811), wk = 0.0024752 k( 339) = ( 0.0743243 0.5000000 0.0743243), wk = 0.0024752 k( 340) = ( 0.0675676 0.5000000 0.0675676), wk = 0.0024752 k( 341) = ( 0.0608108 0.5000000 0.0608108), wk = 0.0024752 k( 342) = ( 0.0540540 0.5000000 0.0540540), wk = 0.0024752 k( 343) = ( 0.0472973 0.5000000 0.0472973), wk = 0.0024752 k( 344) = ( 0.0405405 0.5000000 0.0405405), wk = 0.0024752 k( 345) = ( 0.0337838 0.5000000 0.0337838), wk = 0.0024752 k( 346) = ( 0.0270270 0.5000000 0.0270270), wk = 0.0024752 k( 347) = ( 0.0202703 0.5000000 0.0202703), wk = 0.0024752 k( 348) = ( 0.0135135 0.5000000 0.0135135), wk = 0.0024752 k( 349) = ( 0.0067568 0.5000000 0.0067568), wk = 0.0024752 k( 350) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752 k( 351) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024752 k( 352) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024752 k( 353) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024752 k( 354) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024752 k( 355) = ( 0.5000000 0.5000000 0.0377358), wk = 0.0024752 k( 356) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024752 k( 357) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024752 k( 358) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024752 k( 359) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024752 k( 360) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024752 k( 361) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024752 k( 362) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024752 k( 363) = ( 0.5000000 0.5000000 0.1132075), wk = 0.0024752 k( 364) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024752 k( 365) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024752 k( 366) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024752 k( 367) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024752 k( 368) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024752 k( 369) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024752 k( 370) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024752 k( 371) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024752 k( 372) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024752 k( 373) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024752 k( 374) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024752 k( 375) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024752 k( 376) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024752 k( 377) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024752 k( 378) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024752 k( 379) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024752 k( 380) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024752 k( 381) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024752 k( 382) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024752 k( 383) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024752 k( 384) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024752 k( 385) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024752 k( 386) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024752 k( 387) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024752 k( 388) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024752 k( 389) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024752 k( 390) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024752 k( 391) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024752 k( 392) = ( 0.5000000 0.5000000 0.3867924), wk = 0.0024752 k( 393) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024752 k( 394) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024752 k( 395) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024752 k( 396) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024752 k( 397) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024752 k( 398) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024752 k( 399) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024752 k( 400) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024752 k( 401) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024752 k( 402) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024752 k( 403) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024752 k( 404) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0000000 0.0094340 0.0000000), wk = 0.0024752 k( 3) = ( 0.0000000 0.0188679 0.0000000), wk = 0.0024752 k( 4) = ( 0.0000000 0.0283019 0.0000000), wk = 0.0024752 k( 5) = ( 0.0000000 0.0377359 0.0000000), wk = 0.0024752 k( 6) = ( 0.0000000 0.0471698 0.0000000), wk = 0.0024752 k( 7) = ( 0.0000000 0.0566038 0.0000000), wk = 0.0024752 k( 8) = ( 0.0000000 0.0660377 0.0000000), wk = 0.0024752 k( 9) = ( 0.0000000 0.0754717 0.0000000), wk = 0.0024752 k( 10) = ( 0.0000000 0.0849057 0.0000000), wk = 0.0024752 k( 11) = ( 0.0000000 0.0943396 0.0000000), wk = 0.0024752 k( 12) = ( 0.0000000 0.1037736 0.0000000), wk = 0.0024752 k( 13) = ( 0.0000000 0.1132076 0.0000000), wk = 0.0024752 k( 14) = ( 0.0000000 0.1226415 0.0000000), wk = 0.0024752 k( 15) = ( 0.0000000 0.1320755 0.0000000), wk = 0.0024752 k( 16) = ( 0.0000000 0.1415094 0.0000000), wk = 0.0024752 k( 17) = ( 0.0000000 0.1509434 0.0000000), wk = 0.0024752 k( 18) = ( 0.0000000 0.1603774 0.0000000), wk = 0.0024752 k( 19) = ( 0.0000000 0.1698113 0.0000000), wk = 0.0024752 k( 20) = ( 0.0000000 0.1792453 0.0000000), wk = 0.0024752 k( 21) = ( 0.0000000 0.1886792 0.0000000), wk = 0.0024752 k( 22) = ( 0.0000000 0.1981132 0.0000000), wk = 0.0024752 k( 23) = ( 0.0000000 0.2075472 0.0000000), wk = 0.0024752 k( 24) = ( 0.0000000 0.2169811 0.0000000), wk = 0.0024752 k( 25) = ( 0.0000000 0.2264151 0.0000000), wk = 0.0024752 k( 26) = ( 0.0000000 0.2358491 0.0000000), wk = 0.0024752 k( 27) = ( 0.0000000 0.2452830 0.0000000), wk = 0.0024752 k( 28) = ( 0.0000000 0.2547170 0.0000000), wk = 0.0024752 k( 29) = ( 0.0000000 0.2641509 0.0000000), wk = 0.0024752 k( 30) = ( 0.0000000 0.2735849 0.0000000), wk = 0.0024752 k( 31) = ( 0.0000000 0.2830189 0.0000000), wk = 0.0024752 k( 32) = ( 0.0000000 0.2924528 0.0000000), wk = 0.0024752 k( 33) = ( 0.0000000 0.3018868 0.0000000), wk = 0.0024752 k( 34) = ( 0.0000000 0.3113207 0.0000000), wk = 0.0024752 k( 35) = ( 0.0000000 0.3207547 0.0000000), wk = 0.0024752 k( 36) = ( 0.0000000 0.3301887 0.0000000), wk = 0.0024752 k( 37) = ( 0.0000000 0.3396226 0.0000000), wk = 0.0024752 k( 38) = ( 0.0000000 0.3490566 0.0000000), wk = 0.0024752 k( 39) = ( 0.0000000 0.3584906 0.0000000), wk = 0.0024752 k( 40) = ( 0.0000000 0.3679245 0.0000000), wk = 0.0024752 k( 41) = ( 0.0000000 0.3773585 0.0000000), wk = 0.0024752 k( 42) = ( 0.0000000 0.3867925 0.0000000), wk = 0.0024752 k( 43) = ( 0.0000000 0.3962264 0.0000000), wk = 0.0024752 k( 44) = ( 0.0000000 0.4056604 0.0000000), wk = 0.0024752 k( 45) = ( 0.0000000 0.4150943 0.0000000), wk = 0.0024752 k( 46) = ( 0.0000000 0.4245283 0.0000000), wk = 0.0024752 k( 47) = ( 0.0000000 0.4339623 0.0000000), wk = 0.0024752 k( 48) = ( 0.0000000 0.4433962 0.0000000), wk = 0.0024752 k( 49) = ( 0.0000000 0.4528302 0.0000000), wk = 0.0024752 k( 50) = ( 0.0000000 0.4622641 0.0000000), wk = 0.0024752 k( 51) = ( 0.0000000 0.4716981 0.0000000), wk = 0.0024752 k( 52) = ( 0.0000000 0.4811321 0.0000000), wk = 0.0024752 k( 53) = ( 0.0000000 0.4905660 0.0000000), wk = 0.0024752 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 56) = ( 0.0094340 0.5000000 0.0000000), wk = 0.0024752 k( 57) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0024752 k( 58) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0024752 k( 59) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0024752 k( 60) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0024752 k( 61) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0024752 k( 62) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0024752 k( 63) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0024752 k( 64) = ( 0.0849057 0.5000000 0.0000000), wk = 0.0024752 k( 65) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0024752 k( 66) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0024752 k( 67) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0024752 k( 68) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0024752 k( 69) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0024752 k( 70) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0024752 k( 71) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0024752 k( 72) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0024752 k( 73) = ( 0.1698113 0.5000000 0.0000000), wk = 0.0024752 k( 74) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0024752 k( 75) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0024752 k( 76) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0024752 k( 77) = ( 0.2075472 0.5000000 0.0000000), wk = 0.0024752 k( 78) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0024752 k( 79) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0024752 k( 80) = ( 0.2358491 0.5000000 0.0000000), wk = 0.0024752 k( 81) = ( 0.2452830 0.5000000 0.0000000), wk = 0.0024752 k( 82) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0024752 k( 83) = ( 0.2641509 0.5000000 0.0000000), wk = 0.0024752 k( 84) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0024752 k( 85) = ( 0.2830189 0.5000000 0.0000000), wk = 0.0024752 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0024752 k( 87) = ( 0.3018868 0.5000000 0.0000000), wk = 0.0024752 k( 88) = ( 0.3113207 0.5000000 0.0000000), wk = 0.0024752 k( 89) = ( 0.3207547 0.5000000 0.0000000), wk = 0.0024752 k( 90) = ( 0.3301887 0.5000000 0.0000000), wk = 0.0024752 k( 91) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0024752 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0024752 k( 93) = ( 0.3584906 0.5000000 0.0000000), wk = 0.0024752 k( 94) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0024752 k( 95) = ( 0.3773585 0.5000000 0.0000000), wk = 0.0024752 k( 96) = ( 0.3867925 0.5000000 0.0000000), wk = 0.0024752 k( 97) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0024752 k( 98) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0024752 k( 99) = ( 0.4150943 0.5000000 0.0000000), wk = 0.0024752 k( 100) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0024752 k( 101) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0024752 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0024752 k( 103) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0024752 k( 104) = ( 0.4622641 0.5000000 0.0000000), wk = 0.0024752 k( 105) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0024752 k( 106) = ( 0.4811321 0.5000000 0.0000000), wk = 0.0024752 k( 107) = ( 0.4905660 0.5000000 0.0000000), wk = 0.0024752 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 110) = ( 0.4932432 0.4932432 0.0000000), wk = 0.0024752 k( 111) = ( 0.4864865 0.4864865 0.0000000), wk = 0.0024752 k( 112) = ( 0.4797297 0.4797297 0.0000000), wk = 0.0024752 k( 113) = ( 0.4729730 0.4729730 0.0000000), wk = 0.0024752 k( 114) = ( 0.4662162 0.4662162 0.0000000), wk = 0.0024752 k( 115) = ( 0.4594595 0.4594595 0.0000000), wk = 0.0024752 k( 116) = ( 0.4527027 0.4527027 0.0000000), wk = 0.0024752 k( 117) = ( 0.4459459 0.4459459 0.0000000), wk = 0.0024752 k( 118) = ( 0.4391892 0.4391892 0.0000000), wk = 0.0024752 k( 119) = ( 0.4324324 0.4324324 0.0000000), wk = 0.0024752 k( 120) = ( 0.4256757 0.4256757 0.0000000), wk = 0.0024752 k( 121) = ( 0.4189189 0.4189189 0.0000000), wk = 0.0024752 k( 122) = ( 0.4121622 0.4121622 0.0000000), wk = 0.0024752 k( 123) = ( 0.4054054 0.4054054 0.0000000), wk = 0.0024752 k( 124) = ( 0.3986486 0.3986486 0.0000000), wk = 0.0024752 k( 125) = ( 0.3918919 0.3918919 0.0000000), wk = 0.0024752 k( 126) = ( 0.3851351 0.3851351 0.0000000), wk = 0.0024752 k( 127) = ( 0.3783784 0.3783784 0.0000000), wk = 0.0024752 k( 128) = ( 0.3716216 0.3716216 0.0000000), wk = 0.0024752 k( 129) = ( 0.3648649 0.3648649 0.0000000), wk = 0.0024752 k( 130) = ( 0.3581081 0.3581081 -0.0000000), wk = 0.0024752 k( 131) = ( 0.3513514 0.3513514 -0.0000000), wk = 0.0024752 k( 132) = ( 0.3445946 0.3445946 -0.0000000), wk = 0.0024752 k( 133) = ( 0.3378378 0.3378378 0.0000000), wk = 0.0024752 k( 134) = ( 0.3310811 0.3310811 0.0000000), wk = 0.0024752 k( 135) = ( 0.3243243 0.3243243 0.0000000), wk = 0.0024752 k( 136) = ( 0.3175676 0.3175676 -0.0000000), wk = 0.0024752 k( 137) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0024752 k( 138) = ( 0.3040541 0.3040541 -0.0000000), wk = 0.0024752 k( 139) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0024752 k( 140) = ( 0.2905405 0.2905405 0.0000000), wk = 0.0024752 k( 141) = ( 0.2837838 0.2837838 0.0000000), wk = 0.0024752 k( 142) = ( 0.2770270 0.2770270 0.0000000), wk = 0.0024752 k( 143) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0024752 k( 144) = ( 0.2635135 0.2635135 0.0000000), wk = 0.0024752 k( 145) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0024752 k( 146) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0024752 k( 147) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0024752 k( 148) = ( 0.2364865 0.2364865 0.0000000), wk = 0.0024752 k( 149) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0024752 k( 150) = ( 0.2229730 0.2229730 -0.0000000), wk = 0.0024752 k( 151) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0024752 k( 152) = ( 0.2094595 0.2094595 0.0000000), wk = 0.0024752 k( 153) = ( 0.2027027 0.2027027 0.0000000), wk = 0.0024752 k( 154) = ( 0.1959460 0.1959460 0.0000000), wk = 0.0024752 k( 155) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0024752 k( 156) = ( 0.1824324 0.1824324 0.0000000), wk = 0.0024752 k( 157) = ( 0.1756757 0.1756757 0.0000000), wk = 0.0024752 k( 158) = ( 0.1689189 0.1689189 0.0000000), wk = 0.0024752 k( 159) = ( 0.1621622 0.1621622 0.0000000), wk = 0.0024752 k( 160) = ( 0.1554054 0.1554054 0.0000000), wk = 0.0024752 k( 161) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0024752 k( 162) = ( 0.1418919 0.1418919 0.0000000), wk = 0.0024752 k( 163) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0024752 k( 164) = ( 0.1283784 0.1283784 0.0000000), wk = 0.0024752 k( 165) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0024752 k( 166) = ( 0.1148649 0.1148649 0.0000000), wk = 0.0024752 k( 167) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0024752 k( 168) = ( 0.1013514 0.1013514 0.0000000), wk = 0.0024752 k( 169) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0024752 k( 170) = ( 0.0878378 0.0878378 0.0000000), wk = 0.0024752 k( 171) = ( 0.0810811 0.0810811 0.0000000), wk = 0.0024752 k( 172) = ( 0.0743243 0.0743243 0.0000000), wk = 0.0024752 k( 173) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0024752 k( 174) = ( 0.0608108 0.0608108 0.0000000), wk = 0.0024752 k( 175) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0024752 k( 176) = ( 0.0472973 0.0472973 0.0000000), wk = 0.0024752 k( 177) = ( 0.0405405 0.0405405 0.0000000), wk = 0.0024752 k( 178) = ( 0.0337838 0.0337838 0.0000000), wk = 0.0024752 k( 179) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0024752 k( 180) = ( 0.0202703 0.0202703 0.0000000), wk = 0.0024752 k( 181) = ( 0.0135135 0.0135135 0.0000000), wk = 0.0024752 k( 182) = ( 0.0067568 0.0067568 0.0000000), wk = 0.0024752 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 185) = ( 0.0054945 0.0054945 0.0054945), wk = 0.0024752 k( 186) = ( 0.0109890 0.0109890 0.0109890), wk = 0.0024752 k( 187) = ( 0.0164835 0.0164835 0.0164835), wk = 0.0024752 k( 188) = ( 0.0219780 0.0219780 0.0219780), wk = 0.0024752 k( 189) = ( 0.0274725 0.0274725 0.0274725), wk = 0.0024752 k( 190) = ( 0.0329670 0.0329670 0.0329670), wk = 0.0024752 k( 191) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0024752 k( 192) = ( 0.0439560 0.0439560 0.0439560), wk = 0.0024752 k( 193) = ( 0.0494506 0.0494506 0.0494506), wk = 0.0024752 k( 194) = ( 0.0549451 0.0549451 0.0549451), wk = 0.0024752 k( 195) = ( 0.0604396 0.0604396 0.0604396), wk = 0.0024752 k( 196) = ( 0.0659341 0.0659341 0.0659341), wk = 0.0024752 k( 197) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0024752 k( 198) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0024752 k( 199) = ( 0.0824176 0.0824176 0.0824176), wk = 0.0024752 k( 200) = ( 0.0879121 0.0879121 0.0879121), wk = 0.0024752 k( 201) = ( 0.0934066 0.0934066 0.0934066), wk = 0.0024752 k( 202) = ( 0.0989011 0.0989011 0.0989011), wk = 0.0024752 k( 203) = ( 0.1043956 0.1043956 0.1043956), wk = 0.0024752 k( 204) = ( 0.1098901 0.1098901 0.1098901), wk = 0.0024752 k( 205) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0024752 k( 206) = ( 0.1208791 0.1208791 0.1208791), wk = 0.0024752 k( 207) = ( 0.1263736 0.1263736 0.1263736), wk = 0.0024752 k( 208) = ( 0.1318681 0.1318681 0.1318681), wk = 0.0024752 k( 209) = ( 0.1373626 0.1373626 0.1373626), wk = 0.0024752 k( 210) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0024752 k( 211) = ( 0.1483517 0.1483517 0.1483517), wk = 0.0024752 k( 212) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0024752 k( 213) = ( 0.1593407 0.1593407 0.1593407), wk = 0.0024752 k( 214) = ( 0.1648352 0.1648352 0.1648352), wk = 0.0024752 k( 215) = ( 0.1703297 0.1703297 0.1703297), wk = 0.0024752 k( 216) = ( 0.1758242 0.1758242 0.1758242), wk = 0.0024752 k( 217) = ( 0.1813187 0.1813187 0.1813187), wk = 0.0024752 k( 218) = ( 0.1868132 0.1868132 0.1868132), wk = 0.0024752 k( 219) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0024752 k( 220) = ( 0.1978022 0.1978022 0.1978022), wk = 0.0024752 k( 221) = ( 0.2032967 0.2032967 0.2032967), wk = 0.0024752 k( 222) = ( 0.2087912 0.2087912 0.2087912), wk = 0.0024752 k( 223) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0024752 k( 224) = ( 0.2197802 0.2197802 0.2197802), wk = 0.0024752 k( 225) = ( 0.2252747 0.2252747 0.2252747), wk = 0.0024752 k( 226) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0024752 k( 227) = ( 0.2362637 0.2362637 0.2362637), wk = 0.0024752 k( 228) = ( 0.2417582 0.2417582 0.2417582), wk = 0.0024752 k( 229) = ( 0.2472527 0.2472527 0.2472527), wk = 0.0024752 k( 230) = ( 0.2527472 0.2527472 0.2527472), wk = 0.0024752 k( 231) = ( 0.2582418 0.2582418 0.2582418), wk = 0.0024752 k( 232) = ( 0.2637363 0.2637363 0.2637363), wk = 0.0024752 k( 233) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0024752 k( 234) = ( 0.2747253 0.2747253 0.2747253), wk = 0.0024752 k( 235) = ( 0.2802198 0.2802198 0.2802198), wk = 0.0024752 k( 236) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0024752 k( 237) = ( 0.2912088 0.2912088 0.2912088), wk = 0.0024752 k( 238) = ( 0.2967033 0.2967033 0.2967033), wk = 0.0024752 k( 239) = ( 0.3021978 0.3021978 0.3021978), wk = 0.0024752 k( 240) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0024752 k( 241) = ( 0.3131868 0.3131868 0.3131868), wk = 0.0024752 k( 242) = ( 0.3186813 0.3186813 0.3186813), wk = 0.0024752 k( 243) = ( 0.3241758 0.3241758 0.3241758), wk = 0.0024752 k( 244) = ( 0.3296703 0.3296703 0.3296703), wk = 0.0024752 k( 245) = ( 0.3351648 0.3351648 0.3351648), wk = 0.0024752 k( 246) = ( 0.3406593 0.3406593 0.3406593), wk = 0.0024752 k( 247) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0024752 k( 248) = ( 0.3516483 0.3516483 0.3516483), wk = 0.0024752 k( 249) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0024752 k( 250) = ( 0.3626374 0.3626374 0.3626374), wk = 0.0024752 k( 251) = ( 0.3681319 0.3681319 0.3681319), wk = 0.0024752 k( 252) = ( 0.3736264 0.3736264 0.3736264), wk = 0.0024752 k( 253) = ( 0.3791209 0.3791209 0.3791209), wk = 0.0024752 k( 254) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0024752 k( 255) = ( 0.3901099 0.3901099 0.3901099), wk = 0.0024752 k( 256) = ( 0.3956044 0.3956044 0.3956044), wk = 0.0024752 k( 257) = ( 0.4010989 0.4010989 0.4010989), wk = 0.0024752 k( 258) = ( 0.4065934 0.4065934 0.4065934), wk = 0.0024752 k( 259) = ( 0.4120879 0.4120879 0.4120879), wk = 0.0024752 k( 260) = ( 0.4175824 0.4175824 0.4175824), wk = 0.0024752 k( 261) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0024752 k( 262) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0024752 k( 263) = ( 0.4340659 0.4340659 0.4340659), wk = 0.0024752 k( 264) = ( 0.4395604 0.4395604 0.4395604), wk = 0.0024752 k( 265) = ( 0.4450550 0.4450550 0.4450550), wk = 0.0024752 k( 266) = ( 0.4505495 0.4505495 0.4505495), wk = 0.0024752 k( 267) = ( 0.4560440 0.4560440 0.4560440), wk = 0.0024752 k( 268) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0024752 k( 269) = ( 0.4670330 0.4670330 0.4670330), wk = 0.0024752 k( 270) = ( 0.4725275 0.4725275 0.4725275), wk = 0.0024752 k( 271) = ( 0.4780220 0.4780220 0.4780220), wk = 0.0024752 k( 272) = ( 0.4835165 0.4835165 0.4835165), wk = 0.0024752 k( 273) = ( 0.4890110 0.4890110 0.4890110), wk = 0.0024752 k( 274) = ( 0.4945055 0.4945055 0.4945055), wk = 0.0024752 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 277) = ( 0.4932432 0.5000000 0.4932432), wk = 0.0024752 k( 278) = ( 0.4864865 0.5000000 0.4864865), wk = 0.0024752 k( 279) = ( 0.4797297 0.5000000 0.4797297), wk = 0.0024752 k( 280) = ( 0.4729730 0.5000000 0.4729730), wk = 0.0024752 k( 281) = ( 0.4662162 0.5000000 0.4662162), wk = 0.0024752 k( 282) = ( 0.4594595 0.5000000 0.4594595), wk = 0.0024752 k( 283) = ( 0.4527027 0.5000000 0.4527027), wk = 0.0024752 k( 284) = ( 0.4459459 0.5000000 0.4459459), wk = 0.0024752 k( 285) = ( 0.4391892 0.5000000 0.4391892), wk = 0.0024752 k( 286) = ( 0.4324324 0.5000000 0.4324324), wk = 0.0024752 k( 287) = ( 0.4256757 0.5000000 0.4256757), wk = 0.0024752 k( 288) = ( 0.4189189 0.5000000 0.4189189), wk = 0.0024752 k( 289) = ( 0.4121622 0.5000000 0.4121622), wk = 0.0024752 k( 290) = ( 0.4054054 0.5000000 0.4054054), wk = 0.0024752 k( 291) = ( 0.3986486 0.5000000 0.3986486), wk = 0.0024752 k( 292) = ( 0.3918919 0.5000000 0.3918919), wk = 0.0024752 k( 293) = ( 0.3851351 0.5000000 0.3851351), wk = 0.0024752 k( 294) = ( 0.3783784 0.5000000 0.3783784), wk = 0.0024752 k( 295) = ( 0.3716216 0.5000000 0.3716216), wk = 0.0024752 k( 296) = ( 0.3648649 0.5000000 0.3648649), wk = 0.0024752 k( 297) = ( 0.3581081 0.5000000 0.3581081), wk = 0.0024752 k( 298) = ( 0.3513514 0.5000000 0.3513514), wk = 0.0024752 k( 299) = ( 0.3445946 0.5000000 0.3445946), wk = 0.0024752 k( 300) = ( 0.3378378 0.5000000 0.3378378), wk = 0.0024752 k( 301) = ( 0.3310811 0.5000000 0.3310811), wk = 0.0024752 k( 302) = ( 0.3243243 0.5000000 0.3243243), wk = 0.0024752 k( 303) = ( 0.3175676 0.5000000 0.3175676), wk = 0.0024752 k( 304) = ( 0.3108108 0.5000000 0.3108108), wk = 0.0024752 k( 305) = ( 0.3040541 0.5000000 0.3040541), wk = 0.0024752 k( 306) = ( 0.2972973 0.5000000 0.2972973), wk = 0.0024752 k( 307) = ( 0.2905405 0.5000000 0.2905405), wk = 0.0024752 k( 308) = ( 0.2837838 0.5000000 0.2837838), wk = 0.0024752 k( 309) = ( 0.2770270 0.5000000 0.2770270), wk = 0.0024752 k( 310) = ( 0.2702703 0.5000000 0.2702703), wk = 0.0024752 k( 311) = ( 0.2635135 0.5000000 0.2635135), wk = 0.0024752 k( 312) = ( 0.2567568 0.5000000 0.2567568), wk = 0.0024752 k( 313) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0024752 k( 314) = ( 0.2432432 0.5000000 0.2432432), wk = 0.0024752 k( 315) = ( 0.2364865 0.5000000 0.2364865), wk = 0.0024752 k( 316) = ( 0.2297297 0.5000000 0.2297297), wk = 0.0024752 k( 317) = ( 0.2229730 0.5000000 0.2229730), wk = 0.0024752 k( 318) = ( 0.2162162 0.5000000 0.2162162), wk = 0.0024752 k( 319) = ( 0.2094595 0.5000000 0.2094595), wk = 0.0024752 k( 320) = ( 0.2027027 0.5000000 0.2027027), wk = 0.0024752 k( 321) = ( 0.1959460 0.5000000 0.1959460), wk = 0.0024752 k( 322) = ( 0.1891892 0.5000000 0.1891892), wk = 0.0024752 k( 323) = ( 0.1824324 0.5000000 0.1824324), wk = 0.0024752 k( 324) = ( 0.1756757 0.5000000 0.1756757), wk = 0.0024752 k( 325) = ( 0.1689189 0.5000000 0.1689189), wk = 0.0024752 k( 326) = ( 0.1621622 0.5000000 0.1621622), wk = 0.0024752 k( 327) = ( 0.1554054 0.5000000 0.1554054), wk = 0.0024752 k( 328) = ( 0.1486486 0.5000000 0.1486486), wk = 0.0024752 k( 329) = ( 0.1418919 0.5000000 0.1418919), wk = 0.0024752 k( 330) = ( 0.1351351 0.5000000 0.1351351), wk = 0.0024752 k( 331) = ( 0.1283784 0.5000000 0.1283784), wk = 0.0024752 k( 332) = ( 0.1216216 0.5000000 0.1216216), wk = 0.0024752 k( 333) = ( 0.1148649 0.5000000 0.1148649), wk = 0.0024752 k( 334) = ( 0.1081081 0.5000000 0.1081081), wk = 0.0024752 k( 335) = ( 0.1013514 0.5000000 0.1013514), wk = 0.0024752 k( 336) = ( 0.0945946 0.5000000 0.0945946), wk = 0.0024752 k( 337) = ( 0.0878378 0.5000000 0.0878378), wk = 0.0024752 k( 338) = ( 0.0810811 0.5000000 0.0810811), wk = 0.0024752 k( 339) = ( 0.0743243 0.5000000 0.0743243), wk = 0.0024752 k( 340) = ( 0.0675676 0.5000000 0.0675676), wk = 0.0024752 k( 341) = ( 0.0608108 0.5000000 0.0608108), wk = 0.0024752 k( 342) = ( 0.0540540 0.5000000 0.0540540), wk = 0.0024752 k( 343) = ( 0.0472973 0.5000000 0.0472973), wk = 0.0024752 k( 344) = ( 0.0405405 0.5000000 0.0405405), wk = 0.0024752 k( 345) = ( 0.0337838 0.5000000 0.0337838), wk = 0.0024752 k( 346) = ( 0.0270270 0.5000000 0.0270270), wk = 0.0024752 k( 347) = ( 0.0202703 0.5000000 0.0202703), wk = 0.0024752 k( 348) = ( 0.0135135 0.5000000 0.0135135), wk = 0.0024752 k( 349) = ( 0.0067568 0.5000000 0.0067568), wk = 0.0024752 k( 350) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 351) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 352) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024752 k( 353) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024752 k( 354) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024752 k( 355) = ( 0.5000000 0.5000000 0.0377359), wk = 0.0024752 k( 356) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024752 k( 357) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024752 k( 358) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024752 k( 359) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024752 k( 360) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024752 k( 361) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024752 k( 362) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024752 k( 363) = ( 0.5000000 0.5000000 0.1132076), wk = 0.0024752 k( 364) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024752 k( 365) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024752 k( 366) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024752 k( 367) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024752 k( 368) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024752 k( 369) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024752 k( 370) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024752 k( 371) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024752 k( 372) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024752 k( 373) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024752 k( 374) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024752 k( 375) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024752 k( 376) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024752 k( 377) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024752 k( 378) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024752 k( 379) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024752 k( 380) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024752 k( 381) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024752 k( 382) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024752 k( 383) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024752 k( 384) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024752 k( 385) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024752 k( 386) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024752 k( 387) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024752 k( 388) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024752 k( 389) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024752 k( 390) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024752 k( 391) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024752 k( 392) = ( 0.5000000 0.5000000 0.3867925), wk = 0.0024752 k( 393) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024752 k( 394) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024752 k( 395) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024752 k( 396) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024752 k( 397) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024752 k( 398) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024752 k( 399) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024752 k( 400) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024752 k( 401) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024752 k( 402) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024752 k( 403) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024752 k( 404) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 Dense grid: 7689 G-vectors FFT dimensions: ( 25, 25, 25) Smooth grid: 6355 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 48, 14) NL pseudopotentials 0.01 Mb ( 24, 34) Each V/rho on FFT grid 0.01 Mb ( 625) Each G-vector array 0.00 Mb ( 214) G-vector shells 0.00 Mb ( 80) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 48, 56) Each subspace H/S matrix 0.00 Mb ( 14, 14) Each matrix 0.01 Mb ( 34, 2, 14) The potential is recalculated from file : ./S.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 1.4 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.5 secs Computing kpt #: 5 total cpu time spent up to now is 1.5 secs Computing kpt #: 6 total cpu time spent up to now is 1.6 secs Computing kpt #: 7 total cpu time spent up to now is 1.6 secs Computing kpt #: 8 total cpu time spent up to now is 1.7 secs Computing kpt #: 9 total cpu time spent up to now is 1.7 secs Computing kpt #: 10 total cpu time spent up to now is 1.8 secs Computing kpt #: 11 total cpu time spent up to now is 1.8 secs Computing kpt #: 12 total cpu time spent up to now is 1.8 secs Computing kpt #: 13 total cpu time spent up to now is 1.9 secs Computing kpt #: 14 total cpu time spent up to now is 1.9 secs Computing kpt #: 15 total cpu time spent up to now is 2.0 secs Computing kpt #: 16 total cpu time spent up to now is 2.0 secs Computing kpt #: 17 total cpu time spent up to now is 2.0 secs Computing kpt #: 18 total cpu time spent up to now is 2.1 secs Computing kpt #: 19 total cpu time spent up to now is 2.1 secs Computing kpt #: 20 total cpu time spent up to now is 2.2 secs Computing kpt #: 21 total cpu time spent up to now is 2.2 secs Computing kpt #: 22 total cpu time spent up to now is 2.3 secs Computing kpt #: 23 total cpu time spent up to now is 2.3 secs Computing kpt #: 24 total cpu time spent up to now is 2.3 secs Computing kpt #: 25 total cpu time spent up to now is 2.4 secs Computing kpt #: 26 total cpu time spent up to now is 2.4 secs Computing kpt #: 27 total cpu time spent up to now is 2.5 secs Computing kpt #: 28 total cpu time spent up to now is 2.5 secs Computing kpt #: 29 total cpu time spent up to now is 2.6 secs Computing kpt #: 30 total cpu time spent up to now is 2.6 secs Computing kpt #: 31 total cpu time spent up to now is 2.6 secs Computing kpt #: 32 total cpu time spent up to now is 2.7 secs Computing kpt #: 33 total cpu time spent up to now is 2.7 secs Computing kpt #: 34 total cpu time spent up to now is 2.8 secs Computing kpt #: 35 total cpu time spent up to now is 2.8 secs Computing kpt #: 36 total cpu time spent up to now is 2.9 secs Computing kpt #: 37 total cpu time spent up to now is 2.9 secs Computing kpt #: 38 total cpu time spent up to now is 3.0 secs Computing kpt #: 39 total cpu time spent up to now is 3.0 secs Computing kpt #: 40 total cpu time spent up to now is 3.1 secs Computing kpt #: 41 total cpu time spent up to now is 3.1 secs Computing kpt #: 42 total cpu time spent up to now is 3.2 secs Computing kpt #: 43 total cpu time spent up to now is 3.3 secs Computing kpt #: 44 total cpu time spent up to now is 3.3 secs Computing kpt #: 45 total cpu time spent up to now is 3.4 secs Computing kpt #: 46 total cpu time spent up to now is 3.4 secs Computing kpt #: 47 total cpu time spent up to now is 3.5 secs Computing kpt #: 48 total cpu time spent up to now is 3.5 secs Computing kpt #: 49 total cpu time spent up to now is 3.6 secs Computing kpt #: 50 total cpu time spent up to now is 3.6 secs Computing kpt #: 51 total cpu time spent up to now is 3.7 secs Computing kpt #: 52 total cpu time spent up to now is 3.7 secs Computing kpt #: 53 total cpu time spent up to now is 3.8 secs Computing kpt #: 54 total cpu time spent up to now is 3.8 secs Computing kpt #: 55 total cpu time spent up to now is 3.9 secs Computing kpt #: 56 total cpu time spent up to now is 3.9 secs Computing kpt #: 57 total cpu time spent up to now is 3.9 secs Computing kpt #: 58 total cpu time spent up to now is 4.0 secs Computing kpt #: 59 total cpu time spent up to now is 4.0 secs Computing kpt #: 60 total cpu time spent up to now is 4.1 secs Computing kpt #: 61 total cpu time spent up to now is 4.1 secs Computing kpt #: 62 total cpu time spent up to now is 4.2 secs Computing kpt #: 63 total cpu time spent up to now is 4.2 secs Computing kpt #: 64 total cpu time spent up to now is 4.3 secs Computing kpt #: 65 total cpu time spent up to now is 4.3 secs Computing kpt #: 66 total cpu time spent up to now is 4.4 secs Computing kpt #: 67 total cpu time spent up to now is 4.4 secs Computing kpt #: 68 total cpu time spent up to now is 4.5 secs Computing kpt #: 69 total cpu time spent up to now is 4.6 secs Computing kpt #: 70 total cpu time spent up to now is 4.7 secs Computing kpt #: 71 total cpu time spent up to now is 4.8 secs Computing kpt #: 72 total cpu time spent up to now is 4.8 secs Computing kpt #: 73 total cpu time spent up to now is 4.9 secs Computing kpt #: 74 total cpu time spent up to now is 4.9 secs Computing kpt #: 75 total cpu time spent up to now is 5.0 secs Computing kpt #: 76 total cpu time spent up to now is 5.0 secs Computing kpt #: 77 total cpu time spent up to now is 5.1 secs Computing kpt #: 78 total cpu time spent up to now is 5.2 secs Computing kpt #: 79 total cpu time spent up to now is 5.2 secs Computing kpt #: 80 total cpu time spent up to now is 5.3 secs Computing kpt #: 81 total cpu time spent up to now is 5.3 secs Computing kpt #: 82 total cpu time spent up to now is 5.4 secs Computing kpt #: 83 total cpu time spent up to now is 5.5 secs Computing kpt #: 84 total cpu time spent up to now is 5.5 secs Computing kpt #: 85 total cpu time spent up to now is 5.6 secs Computing kpt #: 86 total cpu time spent up to now is 5.6 secs Computing kpt #: 87 total cpu time spent up to now is 5.7 secs Computing kpt #: 88 total cpu time spent up to now is 5.8 secs Computing kpt #: 89 total cpu time spent up to now is 5.8 secs Computing kpt #: 90 total cpu time spent up to now is 5.9 secs Computing kpt #: 91 total cpu time spent up to now is 5.9 secs Computing kpt #: 92 total cpu time spent up to now is 6.0 secs Computing kpt #: 93 total cpu time spent up to now is 6.1 secs Computing kpt #: 94 total cpu time spent up to now is 6.1 secs Computing kpt #: 95 total cpu time spent up to now is 6.2 secs Computing kpt #: 96 total cpu time spent up to now is 6.3 secs Computing kpt #: 97 total cpu time spent up to now is 6.3 secs Computing kpt #: 98 total cpu time spent up to now is 6.4 secs Computing kpt #: 99 total cpu time spent up to now is 6.5 secs Computing kpt #: 100 total cpu time spent up to now is 6.5 secs Computing kpt #: 101 total cpu time spent up to now is 6.6 secs Computing kpt #: 102 total cpu time spent up to now is 6.7 secs Computing kpt #: 103 total cpu time spent up to now is 6.7 secs Computing kpt #: 104 total cpu time spent up to now is 6.8 secs Computing kpt #: 105 total cpu time spent up to now is 6.9 secs Computing kpt #: 106 total cpu time spent up to now is 6.9 secs Computing kpt #: 107 total cpu time spent up to now is 7.0 secs Computing kpt #: 108 total cpu time spent up to now is 7.1 secs Computing kpt #: 109 total cpu time spent up to now is 7.1 secs Computing kpt #: 110 total cpu time spent up to now is 7.1 secs Computing kpt #: 111 total cpu time spent up to now is 7.2 secs Computing kpt #: 112 total cpu time spent up to now is 7.3 secs Computing kpt #: 113 total cpu time spent up to now is 7.3 secs Computing kpt #: 114 total cpu time spent up to now is 7.4 secs Computing kpt #: 115 total cpu time spent up to now is 7.5 secs Computing kpt #: 116 total cpu time spent up to now is 7.5 secs Computing kpt #: 117 total cpu time spent up to now is 7.6 secs Computing kpt #: 118 total cpu time spent up to now is 7.7 secs Computing kpt #: 119 total cpu time spent up to now is 7.7 secs Computing kpt #: 120 total cpu time spent up to now is 7.8 secs Computing kpt #: 121 total cpu time spent up to now is 7.8 secs Computing kpt #: 122 total cpu time spent up to now is 7.9 secs Computing kpt #: 123 total cpu time spent up to now is 8.0 secs Computing kpt #: 124 total cpu time spent up to now is 8.0 secs Computing kpt #: 125 total cpu time spent up to now is 8.1 secs Computing kpt #: 126 total cpu time spent up to now is 8.1 secs Computing kpt #: 127 total cpu time spent up to now is 8.2 secs Computing kpt #: 128 total cpu time spent up to now is 8.3 secs Computing kpt #: 129 total cpu time spent up to now is 8.3 secs Computing kpt #: 130 total cpu time spent up to now is 8.4 secs Computing kpt #: 131 total cpu time spent up to now is 8.4 secs Computing kpt #: 132 total cpu time spent up to now is 8.5 secs Computing kpt #: 133 total cpu time spent up to now is 8.6 secs Computing kpt #: 134 total cpu time spent up to now is 8.6 secs Computing kpt #: 135 total cpu time spent up to now is 8.7 secs Computing kpt #: 136 total cpu time spent up to now is 8.8 secs Computing kpt #: 137 total cpu time spent up to now is 8.8 secs Computing kpt #: 138 total cpu time spent up to now is 8.9 secs Computing kpt #: 139 total cpu time spent up to now is 9.0 secs Computing kpt #: 140 total cpu time spent up to now is 9.1 secs Computing kpt #: 141 total cpu time spent up to now is 9.1 secs Computing kpt #: 142 total cpu time spent up to now is 9.2 secs Computing kpt #: 143 total cpu time spent up to now is 9.2 secs Computing kpt #: 144 total cpu time spent up to now is 9.3 secs Computing kpt #: 145 total cpu time spent up to now is 9.3 secs Computing kpt #: 146 total cpu time spent up to now is 9.4 secs Computing kpt #: 147 total cpu time spent up to now is 9.4 secs Computing kpt #: 148 total cpu time spent up to now is 9.5 secs Computing kpt #: 149 total cpu time spent up to now is 9.5 secs Computing kpt #: 150 total cpu time spent up to now is 9.6 secs Computing kpt #: 151 total cpu time spent up to now is 9.6 secs Computing kpt #: 152 total cpu time spent up to now is 9.7 secs Computing kpt #: 153 total cpu time spent up to now is 9.7 secs Computing kpt #: 154 total cpu time spent up to now is 9.8 secs Computing kpt #: 155 total cpu time spent up to now is 9.8 secs Computing kpt #: 156 total cpu time spent up to now is 9.8 secs Computing kpt #: 157 total cpu time spent up to now is 9.9 secs Computing kpt #: 158 total cpu time spent up to now is 9.9 secs Computing kpt #: 159 total cpu time spent up to now is 10.0 secs Computing kpt #: 160 total cpu time spent up to now is 10.0 secs Computing kpt #: 161 total cpu time spent up to now is 10.0 secs Computing kpt #: 162 total cpu time spent up to now is 10.1 secs Computing kpt #: 163 total cpu time spent up to now is 10.1 secs Computing kpt #: 164 total cpu time spent up to now is 10.2 secs Computing kpt #: 165 total cpu time spent up to now is 10.2 secs Computing kpt #: 166 total cpu time spent up to now is 10.2 secs Computing kpt #: 167 total cpu time spent up to now is 10.3 secs Computing kpt #: 168 total cpu time spent up to now is 10.3 secs Computing kpt #: 169 total cpu time spent up to now is 10.3 secs Computing kpt #: 170 total cpu time spent up to now is 10.4 secs Computing kpt #: 171 total cpu time spent up to now is 10.4 secs Computing kpt #: 172 total cpu time spent up to now is 10.5 secs Computing kpt #: 173 total cpu time spent up to now is 10.5 secs Computing kpt #: 174 total cpu time spent up to now is 10.5 secs Computing kpt #: 175 total cpu time spent up to now is 10.6 secs Computing kpt #: 176 total cpu time spent up to now is 10.6 secs Computing kpt #: 177 total cpu time spent up to now is 10.7 secs Computing kpt #: 178 total cpu time spent up to now is 10.7 secs Computing kpt #: 179 total cpu time spent up to now is 10.7 secs Computing kpt #: 180 total cpu time spent up to now is 10.8 secs Computing kpt #: 181 total cpu time spent up to now is 10.8 secs Computing kpt #: 182 total cpu time spent up to now is 10.9 secs Computing kpt #: 183 total cpu time spent up to now is 10.9 secs Computing kpt #: 184 total cpu time spent up to now is 10.9 secs Computing kpt #: 185 total cpu time spent up to now is 11.0 secs Computing kpt #: 186 total cpu time spent up to now is 11.0 secs Computing kpt #: 187 total cpu time spent up to now is 11.1 secs Computing kpt #: 188 total cpu time spent up to now is 11.1 secs Computing kpt #: 189 total cpu time spent up to now is 11.1 secs Computing kpt #: 190 total cpu time spent up to now is 11.2 secs Computing kpt #: 191 total cpu time spent up to now is 11.2 secs Computing kpt #: 192 total cpu time spent up to now is 11.3 secs Computing kpt #: 193 total cpu time spent up to now is 11.3 secs Computing kpt #: 194 total cpu time spent up to now is 11.3 secs Computing kpt #: 195 total cpu time spent up to now is 11.4 secs Computing kpt #: 196 total cpu time spent up to now is 11.4 secs Computing kpt #: 197 total cpu time spent up to now is 11.4 secs Computing kpt #: 198 total cpu time spent up to now is 11.5 secs Computing kpt #: 199 total cpu time spent up to now is 11.5 secs Computing kpt #: 200 total cpu time spent up to now is 11.6 secs Computing kpt #: 201 total cpu time spent up to now is 11.6 secs Computing kpt #: 202 total cpu time spent up to now is 11.6 secs Computing kpt #: 203 total cpu time spent up to now is 11.7 secs Computing kpt #: 204 total cpu time spent up to now is 11.7 secs Computing kpt #: 205 total cpu time spent up to now is 11.7 secs Computing kpt #: 206 total cpu time spent up to now is 11.8 secs Computing kpt #: 207 total cpu time spent up to now is 11.8 secs Computing kpt #: 208 total cpu time spent up to now is 11.9 secs Computing kpt #: 209 total cpu time spent up to now is 11.9 secs Computing kpt #: 210 total cpu time spent up to now is 11.9 secs Computing kpt #: 211 total cpu time spent up to now is 12.0 secs Computing kpt #: 212 total cpu time spent up to now is 12.0 secs Computing kpt #: 213 total cpu time spent up to now is 12.0 secs Computing kpt #: 214 total cpu time spent up to now is 12.1 secs Computing kpt #: 215 total cpu time spent up to now is 12.1 secs Computing kpt #: 216 total cpu time spent up to now is 12.2 secs Computing kpt #: 217 total cpu time spent up to now is 12.2 secs Computing kpt #: 218 total cpu time spent up to now is 12.2 secs Computing kpt #: 219 total cpu time spent up to now is 12.3 secs Computing kpt #: 220 total cpu time spent up to now is 12.3 secs Computing kpt #: 221 total cpu time spent up to now is 12.4 secs Computing kpt #: 222 total cpu time spent up to now is 12.4 secs Computing kpt #: 223 total cpu time spent up to now is 12.5 secs Computing kpt #: 224 total cpu time spent up to now is 12.5 secs Computing kpt #: 225 total cpu time spent up to now is 12.6 secs Computing kpt #: 226 total cpu time spent up to now is 12.6 secs Computing kpt #: 227 total cpu time spent up to now is 12.7 secs Computing kpt #: 228 total cpu time spent up to now is 12.7 secs Computing kpt #: 229 total cpu time spent up to now is 12.8 secs Computing kpt #: 230 total cpu time spent up to now is 12.8 secs Computing kpt #: 231 total cpu time spent up to now is 12.9 secs Computing kpt #: 232 total cpu time spent up to now is 12.9 secs Computing kpt #: 233 total cpu time spent up to now is 13.0 secs Computing kpt #: 234 total cpu time spent up to now is 13.0 secs Computing kpt #: 235 total cpu time spent up to now is 13.1 secs Computing kpt #: 236 total cpu time spent up to now is 13.1 secs Computing kpt #: 237 total cpu time spent up to now is 13.1 secs Computing kpt #: 238 total cpu time spent up to now is 13.2 secs Computing kpt #: 239 total cpu time spent up to now is 13.2 secs Computing kpt #: 240 total cpu time spent up to now is 13.3 secs Computing kpt #: 241 total cpu time spent up to now is 13.3 secs Computing kpt #: 242 total cpu time spent up to now is 13.4 secs Computing kpt #: 243 total cpu time spent up to now is 13.4 secs Computing kpt #: 244 total cpu time spent up to now is 13.5 secs Computing kpt #: 245 total cpu time spent up to now is 13.5 secs Computing kpt #: 246 total cpu time spent up to now is 13.6 secs Computing kpt #: 247 total cpu time spent up to now is 13.6 secs Computing kpt #: 248 total cpu time spent up to now is 13.6 secs Computing kpt #: 249 total cpu time spent up to now is 13.7 secs Computing kpt #: 250 total cpu time spent up to now is 13.7 secs Computing kpt #: 251 total cpu time spent up to now is 13.8 secs Computing kpt #: 252 total cpu time spent up to now is 13.8 secs Computing kpt #: 253 total cpu time spent up to now is 13.9 secs Computing kpt #: 254 total cpu time spent up to now is 13.9 secs Computing kpt #: 255 total cpu time spent up to now is 13.9 secs Computing kpt #: 256 total cpu time spent up to now is 14.0 secs Computing kpt #: 257 total cpu time spent up to now is 14.0 secs Computing kpt #: 258 total cpu time spent up to now is 14.1 secs Computing kpt #: 259 total cpu time spent up to now is 14.1 secs Computing kpt #: 260 total cpu time spent up to now is 14.1 secs Computing kpt #: 261 total cpu time spent up to now is 14.2 secs Computing kpt #: 262 total cpu time spent up to now is 14.2 secs Computing kpt #: 263 total cpu time spent up to now is 14.3 secs Computing kpt #: 264 total cpu time spent up to now is 14.3 secs Computing kpt #: 265 total cpu time spent up to now is 14.4 secs Computing kpt #: 266 total cpu time spent up to now is 14.4 secs Computing kpt #: 267 total cpu time spent up to now is 14.4 secs Computing kpt #: 268 total cpu time spent up to now is 14.5 secs Computing kpt #: 269 total cpu time spent up to now is 14.5 secs Computing kpt #: 270 total cpu time spent up to now is 14.7 secs Computing kpt #: 271 total cpu time spent up to now is 14.7 secs Computing kpt #: 272 total cpu time spent up to now is 14.8 secs Computing kpt #: 273 total cpu time spent up to now is 14.8 secs Computing kpt #: 274 total cpu time spent up to now is 14.8 secs Computing kpt #: 275 total cpu time spent up to now is 14.9 secs Computing kpt #: 276 total cpu time spent up to now is 14.9 secs Computing kpt #: 277 total cpu time spent up to now is 15.0 secs Computing kpt #: 278 total cpu time spent up to now is 15.0 secs Computing kpt #: 279 total cpu time spent up to now is 15.0 secs Computing kpt #: 280 total cpu time spent up to now is 15.1 secs Computing kpt #: 281 total cpu time spent up to now is 15.1 secs Computing kpt #: 282 total cpu time spent up to now is 15.2 secs Computing kpt #: 283 total cpu time spent up to now is 15.2 secs Computing kpt #: 284 total cpu time spent up to now is 15.2 secs Computing kpt #: 285 total cpu time spent up to now is 15.3 secs Computing kpt #: 286 total cpu time spent up to now is 15.3 secs Computing kpt #: 287 total cpu time spent up to now is 15.4 secs Computing kpt #: 288 total cpu time spent up to now is 15.4 secs Computing kpt #: 289 total cpu time spent up to now is 15.4 secs Computing kpt #: 290 total cpu time spent up to now is 15.5 secs Computing kpt #: 291 total cpu time spent up to now is 15.5 secs Computing kpt #: 292 total cpu time spent up to now is 15.6 secs Computing kpt #: 293 total cpu time spent up to now is 15.6 secs Computing kpt #: 294 total cpu time spent up to now is 15.7 secs Computing kpt #: 295 total cpu time spent up to now is 15.7 secs Computing kpt #: 296 total cpu time spent up to now is 15.7 secs Computing kpt #: 297 total cpu time spent up to now is 15.8 secs Computing kpt #: 298 total cpu time spent up to now is 15.8 secs Computing kpt #: 299 total cpu time spent up to now is 15.9 secs Computing kpt #: 300 total cpu time spent up to now is 15.9 secs Computing kpt #: 301 total cpu time spent up to now is 15.9 secs Computing kpt #: 302 total cpu time spent up to now is 16.0 secs Computing kpt #: 303 total cpu time spent up to now is 16.0 secs Computing kpt #: 304 total cpu time spent up to now is 16.1 secs Computing kpt #: 305 total cpu time spent up to now is 16.1 secs Computing kpt #: 306 total cpu time spent up to now is 16.2 secs Computing kpt #: 307 total cpu time spent up to now is 16.2 secs Computing kpt #: 308 total cpu time spent up to now is 16.3 secs Computing kpt #: 309 total cpu time spent up to now is 16.3 secs Computing kpt #: 310 total cpu time spent up to now is 16.3 secs Computing kpt #: 311 total cpu time spent up to now is 16.4 secs Computing kpt #: 312 total cpu time spent up to now is 16.4 secs Computing kpt #: 313 total cpu time spent up to now is 16.5 secs Computing kpt #: 314 total cpu time spent up to now is 16.5 secs Computing kpt #: 315 total cpu time spent up to now is 16.6 secs Computing kpt #: 316 total cpu time spent up to now is 16.6 secs Computing kpt #: 317 total cpu time spent up to now is 16.7 secs Computing kpt #: 318 total cpu time spent up to now is 16.7 secs Computing kpt #: 319 total cpu time spent up to now is 16.8 secs Computing kpt #: 320 total cpu time spent up to now is 16.8 secs Computing kpt #: 321 total cpu time spent up to now is 16.9 secs Computing kpt #: 322 total cpu time spent up to now is 16.9 secs Computing kpt #: 323 total cpu time spent up to now is 17.0 secs Computing kpt #: 324 total cpu time spent up to now is 17.0 secs Computing kpt #: 325 total cpu time spent up to now is 17.1 secs Computing kpt #: 326 total cpu time spent up to now is 17.1 secs Computing kpt #: 327 total cpu time spent up to now is 17.2 secs Computing kpt #: 328 total cpu time spent up to now is 17.2 secs Computing kpt #: 329 total cpu time spent up to now is 17.3 secs Computing kpt #: 330 total cpu time spent up to now is 17.4 secs Computing kpt #: 331 total cpu time spent up to now is 17.4 secs Computing kpt #: 332 total cpu time spent up to now is 17.5 secs Computing kpt #: 333 total cpu time spent up to now is 17.5 secs Computing kpt #: 334 total cpu time spent up to now is 17.6 secs Computing kpt #: 335 total cpu time spent up to now is 17.6 secs Computing kpt #: 336 total cpu time spent up to now is 17.7 secs Computing kpt #: 337 total cpu time spent up to now is 17.8 secs Computing kpt #: 338 total cpu time spent up to now is 17.8 secs Computing kpt #: 339 total cpu time spent up to now is 17.9 secs Computing kpt #: 340 total cpu time spent up to now is 17.9 secs Computing kpt #: 341 total cpu time spent up to now is 17.9 secs Computing kpt #: 342 total cpu time spent up to now is 18.0 secs Computing kpt #: 343 total cpu time spent up to now is 18.0 secs Computing kpt #: 344 total cpu time spent up to now is 18.1 secs Computing kpt #: 345 total cpu time spent up to now is 18.1 secs Computing kpt #: 346 total cpu time spent up to now is 18.2 secs Computing kpt #: 347 total cpu time spent up to now is 18.2 secs Computing kpt #: 348 total cpu time spent up to now is 18.3 secs Computing kpt #: 349 total cpu time spent up to now is 18.3 secs Computing kpt #: 350 total cpu time spent up to now is 18.4 secs Computing kpt #: 351 total cpu time spent up to now is 18.4 secs Computing kpt #: 352 total cpu time spent up to now is 18.5 secs Computing kpt #: 353 total cpu time spent up to now is 18.5 secs Computing kpt #: 354 total cpu time spent up to now is 18.5 secs Computing kpt #: 355 total cpu time spent up to now is 18.6 secs Computing kpt #: 356 total cpu time spent up to now is 18.7 secs Computing kpt #: 357 total cpu time spent up to now is 18.8 secs Computing kpt #: 358 total cpu time spent up to now is 18.8 secs Computing kpt #: 359 total cpu time spent up to now is 18.9 secs Computing kpt #: 360 total cpu time spent up to now is 18.9 secs Computing kpt #: 361 total cpu time spent up to now is 19.0 secs Computing kpt #: 362 total cpu time spent up to now is 19.0 secs Computing kpt #: 363 total cpu time spent up to now is 19.1 secs Computing kpt #: 364 total cpu time spent up to now is 19.2 secs Computing kpt #: 365 total cpu time spent up to now is 19.2 secs Computing kpt #: 366 total cpu time spent up to now is 19.3 secs Computing kpt #: 367 total cpu time spent up to now is 19.3 secs Computing kpt #: 368 total cpu time spent up to now is 19.4 secs Computing kpt #: 369 total cpu time spent up to now is 19.4 secs Computing kpt #: 370 total cpu time spent up to now is 19.5 secs Computing kpt #: 371 total cpu time spent up to now is 19.5 secs Computing kpt #: 372 total cpu time spent up to now is 19.6 secs Computing kpt #: 373 total cpu time spent up to now is 19.6 secs Computing kpt #: 374 total cpu time spent up to now is 19.7 secs Computing kpt #: 375 total cpu time spent up to now is 19.7 secs Computing kpt #: 376 total cpu time spent up to now is 19.8 secs Computing kpt #: 377 total cpu time spent up to now is 19.8 secs Computing kpt #: 378 total cpu time spent up to now is 19.8 secs Computing kpt #: 379 total cpu time spent up to now is 19.9 secs Computing kpt #: 380 total cpu time spent up to now is 19.9 secs Computing kpt #: 381 total cpu time spent up to now is 20.0 secs Computing kpt #: 382 total cpu time spent up to now is 20.0 secs Computing kpt #: 383 total cpu time spent up to now is 20.0 secs Computing kpt #: 384 total cpu time spent up to now is 20.1 secs Computing kpt #: 385 total cpu time spent up to now is 20.1 secs Computing kpt #: 386 total cpu time spent up to now is 20.2 secs Computing kpt #: 387 total cpu time spent up to now is 20.2 secs Computing kpt #: 388 total cpu time spent up to now is 20.2 secs Computing kpt #: 389 total cpu time spent up to now is 20.3 secs Computing kpt #: 390 total cpu time spent up to now is 20.3 secs Computing kpt #: 391 total cpu time spent up to now is 20.4 secs Computing kpt #: 392 total cpu time spent up to now is 20.4 secs Computing kpt #: 393 total cpu time spent up to now is 20.4 secs Computing kpt #: 394 total cpu time spent up to now is 20.5 secs Computing kpt #: 395 total cpu time spent up to now is 20.5 secs Computing kpt #: 396 total cpu time spent up to now is 20.6 secs Computing kpt #: 397 total cpu time spent up to now is 20.6 secs Computing kpt #: 398 total cpu time spent up to now is 20.6 secs Computing kpt #: 399 total cpu time spent up to now is 20.7 secs Computing kpt #: 400 total cpu time spent up to now is 20.7 secs Computing kpt #: 401 total cpu time spent up to now is 20.8 secs Computing kpt #: 402 total cpu time spent up to now is 20.8 secs Computing kpt #: 403 total cpu time spent up to now is 20.8 secs Computing kpt #: 404 total cpu time spent up to now is 20.9 secs ethr = 1.67E-07, avg # of iterations = 14.4 total cpu time spent up to now is 20.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 751 PWs) bands (ev): -10.9409 -10.9409 3.1000 3.1000 3.2100 3.2100 3.2100 3.2100 10.0541 10.0541 10.9593 10.9593 10.9593 10.9593 k = 0.0000 0.0094-0.0000 ( 751 PWs) bands (ev): -10.9401 -10.9401 3.0978 3.0978 3.2053 3.2053 3.2105 3.2105 10.0581 10.0581 10.9602 10.9602 10.9657 10.9657 k = 0.0000 0.0189-0.0000 ( 751 PWs) bands (ev): -10.9376 -10.9376 3.0896 3.0896 3.1931 3.1931 3.2120 3.2120 10.0699 10.0699 10.9630 10.9630 10.9850 10.9850 k = 0.0000 0.0283-0.0000 ( 755 PWs) bands (ev): -10.9334 -10.9334 3.0703 3.0703 3.1787 3.1787 3.2146 3.2146 10.0887 10.0887 10.9676 10.9676 11.0175 11.0175 k = 0.0000 0.0377-0.0000 ( 763 PWs) bands (ev): -10.9276 -10.9276 3.0340 3.0340 3.1686 3.1686 3.2183 3.2183 10.1137 10.1137 10.9741 10.9741 11.0636 11.0636 k = 0.0000 0.0472-0.0000 ( 763 PWs) bands (ev): -10.9201 -10.9201 2.9796 2.9796 3.1648 3.1648 3.2229 3.2229 10.1436 10.1436 10.9824 10.9824 11.1237 11.1237 k = 0.0000 0.0566-0.0000 ( 763 PWs) bands (ev): -10.9110 -10.9110 2.9095 2.9095 3.1656 3.1656 3.2286 3.2286 10.1772 10.1772 10.9925 10.9925 11.1979 11.1979 k = 0.0000 0.0660-0.0000 ( 771 PWs) bands (ev): -10.9003 -10.9003 2.8263 2.8263 3.1693 3.1693 3.2353 3.2353 10.2135 10.2135 11.0043 11.0043 11.2864 11.2864 k = 0.0000 0.0755-0.0000 ( 771 PWs) bands (ev): -10.8880 -10.8880 2.7321 2.7321 3.1750 3.1750 3.2429 3.2429 10.2515 10.2515 11.0180 11.0180 11.3888 11.3888 k = 0.0000 0.0849-0.0000 ( 771 PWs) bands (ev): -10.8741 -10.8741 2.6283 2.6283 3.1823 3.1823 3.2515 3.2515 10.2908 10.2908 11.0335 11.0335 11.5045 11.5045 k = 0.0000 0.0943-0.0000 ( 771 PWs) bands (ev): -10.8586 -10.8586 2.5161 2.5161 3.1909 3.1909 3.2611 3.2611 10.3309 10.3309 11.0507 11.0507 11.6327 11.6327 k = 0.0000 0.1038-0.0000 ( 767 PWs) bands (ev): -10.8416 -10.8416 2.3967 2.3967 3.2007 3.2007 3.2716 3.2716 10.3718 10.3718 11.0695 11.0695 11.7722 11.7722 k = 0.0000 0.1132-0.0000 ( 767 PWs) bands (ev): -10.8231 -10.8231 2.2711 2.2711 3.2114 3.2114 3.2830 3.2830 10.4134 10.4134 11.0901 11.0901 11.9220 11.9220 k = 0.0000 0.1226-0.0000 ( 771 PWs) bands (ev): -10.8031 -10.8031 2.1403 2.1403 3.2232 3.2232 3.2952 3.2952 10.4559 10.4559 11.1123 11.1123 12.0807 12.0807 k = 0.0000 0.1321-0.0000 ( 775 PWs) bands (ev): -10.7817 -10.7817 2.0052 2.0052 3.2359 3.2359 3.3082 3.3082 10.4994 10.4994 11.1361 11.1361 12.2471 12.2471 k = 0.0000 0.1415-0.0000 ( 775 PWs) bands (ev): -10.7589 -10.7589 1.8665 1.8665 3.2494 3.2494 3.3221 3.3221 10.5441 10.5441 11.1615 11.1615 12.4198 12.4198 k = 0.0000 0.1509-0.0000 ( 775 PWs) bands (ev): -10.7348 -10.7348 1.7249 1.7249 3.2637 3.2637 3.3367 3.3367 10.5901 10.5901 11.1884 11.1884 12.5978 12.5978 k = 0.0000 0.1604-0.0000 ( 779 PWs) bands (ev): -10.7094 -10.7094 1.5812 1.5812 3.2787 3.2787 3.3521 3.3521 10.6376 10.6376 11.2167 11.2167 12.7796 12.7796 k = 0.0000 0.1698-0.0000 ( 779 PWs) bands (ev): -10.6827 -10.6827 1.4359 1.4359 3.2945 3.2945 3.3681 3.3681 10.6866 10.6866 11.2464 11.2464 12.9641 12.9641 k = 0.0000 0.1792-0.0000 ( 779 PWs) bands (ev): -10.6548 -10.6548 1.2895 1.2895 3.3108 3.3108 3.3847 3.3847 10.7373 10.7373 11.2775 11.2775 13.1502 13.1502 k = 0.0000 0.1887-0.0000 ( 779 PWs) bands (ev): -10.6258 -10.6258 1.1427 1.1427 3.3278 3.3278 3.4020 3.4020 10.7897 10.7897 11.3099 11.3099 13.3364 13.3364 k = 0.0000 0.1981-0.0000 ( 779 PWs) bands (ev): -10.5958 -10.5958 0.9958 0.9958 3.3454 3.3454 3.4197 3.4197 10.8438 10.8438 11.3435 11.3435 13.5216 13.5216 k = 0.0000 0.2075-0.0000 ( 779 PWs) bands (ev): -10.5647 -10.5647 0.8492 0.8492 3.3634 3.3634 3.4380 3.4380 10.8999 10.8999 11.3782 11.3782 13.7044 13.7044 k = 0.0000 0.2170-0.0000 ( 791 PWs) bands (ev): -10.5328 -10.5328 0.7034 0.7034 3.3818 3.3818 3.4567 3.4567 10.9577 10.9577 11.4140 11.4140 13.8834 13.8834 k = 0.0000 0.2264-0.0000 ( 791 PWs) bands (ev): -10.5000 -10.5000 0.5588 0.5588 3.4006 3.4006 3.4757 3.4757 11.0175 11.0175 11.4507 11.4507 14.0572 14.0572 k = 0.0000 0.2358-0.0000 ( 799 PWs) bands (ev): -10.4665 -10.4665 0.4156 0.4156 3.4198 3.4198 3.4951 3.4951 11.0791 11.0791 11.4883 11.4883 14.2244 14.2244 k = 0.0000 0.2453-0.0000 ( 799 PWs) bands (ev): -10.4323 -10.4323 0.2742 0.2742 3.4391 3.4391 3.5147 3.5147 11.1426 11.1426 11.5267 11.5267 14.3833 14.3833 k = 0.0000 0.2547-0.0000 ( 799 PWs) bands (ev): -10.3975 -10.3975 0.1349 0.1349 3.4587 3.4587 3.5344 3.5344 11.2080 11.2080 11.5658 11.5658 14.5325 14.5325 k = 0.0000 0.2642-0.0000 ( 799 PWs) bands (ev): -10.3623 -10.3623 -0.0020 -0.0020 3.4784 3.4784 3.5543 3.5543 11.2752 11.2752 11.6054 11.6054 14.6704 14.6704 k = 0.0000 0.2736-0.0000 ( 791 PWs) bands (ev): -10.3268 -10.3268 -0.1362 -0.1362 3.4981 3.4981 3.5743 3.5743 11.3442 11.3442 11.6454 11.6454 14.7956 14.7956 k = 0.0000 0.2830-0.0000 ( 792 PWs) bands (ev): -10.2910 -10.2910 -0.2675 -0.2675 3.5178 3.5178 3.5942 3.5942 11.4150 11.4150 11.6857 11.6857 14.9068 14.9068 k = 0.0000 0.2925-0.0000 ( 792 PWs) bands (ev): -10.2552 -10.2552 -0.3955 -0.3955 3.5374 3.5374 3.6140 3.6140 11.4874 11.4874 11.7262 11.7262 15.0028 15.0028 k = 0.0000 0.3019-0.0000 ( 792 PWs) bands (ev): -10.2194 -10.2194 -0.5201 -0.5201 3.5568 3.5568 3.6337 3.6337 11.5614 11.5614 11.7667 11.7667 15.0830 15.0830 k = 0.0000 0.3113-0.0000 ( 792 PWs) bands (ev): -10.1837 -10.1837 -0.6411 -0.6411 3.5760 3.5760 3.6531 3.6531 11.6370 11.6370 11.8071 11.8071 15.1468 15.1468 k = 0.0000 0.3208-0.0000 ( 792 PWs) bands (ev): -10.1483 -10.1483 -0.7580 -0.7580 3.5949 3.5949 3.6722 3.6722 11.7140 11.7140 11.8472 11.8472 15.1943 15.1943 k = 0.0000 0.3302-0.0000 ( 792 PWs) bands (ev): -10.1134 -10.1134 -0.8708 -0.8708 3.6133 3.6133 3.6908 3.6908 11.7923 11.7923 11.8869 11.8869 15.2256 15.2256 k = 0.0000 0.3396-0.0000 ( 792 PWs) bands (ev): -10.0791 -10.0791 -0.9792 -0.9792 3.6314 3.6314 3.7091 3.7091 11.8717 11.8717 11.9259 11.9259 15.2416 15.2416 k = 0.0000 0.3491-0.0000 ( 792 PWs) bands (ev): -10.0455 -10.0455 -1.0829 -1.0829 3.6488 3.6488 3.7267 3.7267 11.9521 11.9521 11.9641 11.9641 15.2432 15.2432 k = 0.0000 0.3585-0.0000 ( 792 PWs) bands (ev): -10.0129 -10.0129 -1.1818 -1.1818 3.6657 3.6657 3.7438 3.7438 12.0013 12.0013 12.0333 12.0333 15.2316 15.2316 k = 0.0000 0.3679-0.0000 ( 792 PWs) bands (ev): -9.9813 -9.9813 -1.2755 -1.2755 3.6819 3.6819 3.7601 3.7601 12.0373 12.0373 12.1150 12.1150 15.2083 15.2083 k = 0.0000 0.3774-0.0000 ( 792 PWs) bands (ev): -9.9510 -9.9510 -1.3640 -1.3640 3.6973 3.6973 3.7757 3.7757 12.0720 12.0720 12.1970 12.1970 15.1748 15.1748 k = 0.0000 0.3868-0.0000 ( 792 PWs) bands (ev): -9.9221 -9.9221 -1.4469 -1.4469 3.7119 3.7119 3.7905 3.7905 12.1050 12.1050 12.2789 12.2789 15.1328 15.1328 k = 0.0000 0.3962-0.0000 ( 792 PWs) bands (ev): -9.8948 -9.8948 -1.5241 -1.5241 3.7255 3.7255 3.8043 3.8043 12.1364 12.1364 12.3602 12.3602 15.0837 15.0837 k = 0.0000 0.4057-0.0000 ( 800 PWs) bands (ev): -9.8692 -9.8692 -1.5953 -1.5953 3.7383 3.7383 3.8172 3.8172 12.1658 12.1658 12.4404 12.4404 15.0293 15.0293 k = 0.0000 0.4151-0.0000 ( 800 PWs) bands (ev): -9.8454 -9.8454 -1.6604 -1.6604 3.7500 3.7500 3.8291 3.8291 12.1930 12.1930 12.5190 12.5190 14.9713 14.9713 k = 0.0000 0.4245-0.0000 ( 800 PWs) bands (ev): -9.8237 -9.8237 -1.7192 -1.7192 3.7606 3.7606 3.8398 3.8398 12.2179 12.2179 12.5951 12.5951 14.9112 14.9112 k = 0.0000 0.4340-0.0000 ( 808 PWs) bands (ev): -9.8042 -9.8042 -1.7715 -1.7715 3.7701 3.7701 3.8495 3.8495 12.2404 12.2404 12.6677 12.6677 14.8510 14.8510 k = 0.0000 0.4434-0.0000 ( 808 PWs) bands (ev): -9.7870 -9.7870 -1.8171 -1.8171 3.7785 3.7785 3.8579 3.8579 12.2602 12.2602 12.7357 12.7357 14.7924 14.7924 k = 0.0000 0.4528-0.0000 ( 800 PWs) bands (ev): -9.7723 -9.7723 -1.8560 -1.8560 3.7856 3.7856 3.8651 3.8651 12.2772 12.2772 12.7977 12.7977 14.7374 14.7374 k = 0.0000 0.4623-0.0000 ( 804 PWs) bands (ev): -9.7600 -9.7600 -1.8880 -1.8880 3.7915 3.7915 3.8711 3.8711 12.2914 12.2914 12.8521 12.8521 14.6881 14.6881 k = 0.0000 0.4717-0.0000 ( 804 PWs) bands (ev): -9.7504 -9.7504 -1.9130 -1.9130 3.7961 3.7961 3.8758 3.8758 12.3025 12.3025 12.8972 12.8972 14.6467 14.6467 k = 0.0000 0.4811-0.0000 ( 804 PWs) bands (ev): -9.7435 -9.7435 -1.9309 -1.9309 3.7994 3.7994 3.8791 3.8791 12.3104 12.3104 12.9310 12.9310 14.6152 14.6152 k = 0.0000 0.4906-0.0000 ( 804 PWs) bands (ev): -9.7394 -9.7394 -1.9417 -1.9417 3.8014 3.8014 3.8811 3.8811 12.3153 12.3153 12.9521 12.9521 14.5954 14.5954 k = 0.0000 0.5000-0.0000 ( 804 PWs) bands (ev): -9.7380 -9.7380 -1.9453 -1.9453 3.8021 3.8021 3.8818 3.8818 12.3169 12.3169 12.9592 12.9592 14.5887 14.5887 k = 0.0000 0.5000-0.0000 ( 804 PWs) bands (ev): -9.7380 -9.7380 -1.9453 -1.9453 3.8021 3.8021 3.8818 3.8818 12.3169 12.3169 12.9592 12.9592 14.5887 14.5887 k = 0.0094 0.5000-0.0000 ( 804 PWs) bands (ev): -9.7372 -9.7372 -1.9444 -1.9444 3.7992 3.7992 3.8791 3.8791 12.3214 12.3214 12.9638 12.9638 14.5527 14.5527 k = 0.0189 0.5000-0.0000 ( 804 PWs) bands (ev): -9.7348 -9.7348 -1.9419 -1.9419 3.7891 3.7891 3.8727 3.8727 12.3348 12.3348 12.9777 12.9777 14.4579 14.4579 k = 0.0283 0.5000-0.0000 ( 804 PWs) bands (ev): -9.7308 -9.7308 -1.9378 -1.9378 3.7683 3.7683 3.8663 3.8663 12.3563 12.3563 13.0016 13.0016 14.3267 14.3267 k = 0.0377 0.5000-0.0000 ( 804 PWs) bands (ev): -9.7253 -9.7253 -1.9320 -1.9320 3.7341 3.7341 3.8629 3.8629 12.3845 12.3845 13.0363 13.0363 14.1745 14.1745 k = 0.0472 0.5000-0.0000 ( 804 PWs) bands (ev): -9.7182 -9.7182 -1.9245 -1.9245 3.6867 3.6867 3.8628 3.8628 12.4179 12.4179 13.0829 13.0829 14.0093 14.0093 k = 0.0566 0.5000-0.0000 ( 800 PWs) bands (ev): -9.7095 -9.7095 -1.9154 -1.9154 3.6274 3.6274 3.8651 3.8651 12.4546 12.4546 13.1427 13.1427 13.8358 13.8358 k = 0.0660 0.5000-0.0000 ( 792 PWs) bands (ev): -9.6993 -9.6993 -1.9047 -1.9047 3.5576 3.5576 3.8693 3.8693 12.4930 12.4930 13.2165 13.2165 13.6566 13.6566 k = 0.0755 0.5000-0.0000 ( 792 PWs) bands (ev): -9.6875 -9.6875 -1.8924 -1.8924 3.4783 3.4783 3.8750 3.8750 12.5318 12.5318 13.3049 13.3049 13.4733 13.4733 k = 0.0849 0.5000-0.0000 ( 796 PWs) bands (ev): -9.6743 -9.6743 -1.8785 -1.8785 3.3906 3.3906 3.8818 3.8818 12.5701 12.5701 13.2867 13.2867 13.4082 13.4082 k = 0.0943 0.5000-0.0000 ( 796 PWs) bands (ev): -9.6596 -9.6596 -1.8631 -1.8631 3.2952 3.2952 3.8897 3.8897 12.6077 12.6077 13.0986 13.0986 13.5254 13.5254 k = 0.1038 0.5000-0.0000 ( 796 PWs) bands (ev): -9.6434 -9.6434 -1.8461 -1.8461 3.1931 3.1931 3.8986 3.8986 12.6445 12.6445 12.9091 12.9091 13.6559 13.6559 k = 0.1132 0.5000-0.0000 ( 796 PWs) bands (ev): -9.6258 -9.6258 -1.8276 -1.8276 3.0851 3.0851 3.9083 3.9083 12.6807 12.6807 12.7189 12.7189 13.7988 13.7988 k = 0.1226 0.5000-0.0000 ( 796 PWs) bands (ev): -9.6069 -9.6069 -1.8077 -1.8077 2.9718 2.9718 3.9188 3.9188 12.5284 12.5284 12.7166 12.7166 13.9527 13.9527 k = 0.1321 0.5000-0.0000 ( 796 PWs) bands (ev): -9.5865 -9.5865 -1.7864 -1.7864 2.8541 2.8541 3.9302 3.9302 12.3383 12.3383 12.7525 12.7525 14.1167 14.1167 k = 0.1415 0.5000-0.0000 ( 796 PWs) bands (ev): -9.5649 -9.5649 -1.7637 -1.7637 2.7325 2.7325 3.9423 3.9423 12.1488 12.1488 12.7887 12.7887 14.2897 14.2897 k = 0.1509 0.5000-0.0000 ( 794 PWs) bands (ev): -9.5420 -9.5420 -1.7396 -1.7396 2.6079 2.6079 3.9550 3.9550 11.9603 11.9603 12.8253 12.8253 14.4706 14.4706 k = 0.1604 0.5000-0.0000 ( 794 PWs) bands (ev): -9.5179 -9.5179 -1.7142 -1.7142 2.4806 2.4806 3.9684 3.9684 11.7732 11.7732 12.8627 12.8627 14.6585 14.6585 k = 0.1698 0.5000-0.0000 ( 794 PWs) bands (ev): -9.4926 -9.4926 -1.6877 -1.6877 2.3513 2.3513 3.9824 3.9824 11.5876 11.5876 12.9008 12.9008 14.8525 14.8525 k = 0.1792 0.5000-0.0000 ( 794 PWs) bands (ev): -9.4661 -9.4661 -1.6599 -1.6599 2.2205 2.2205 3.9970 3.9970 11.4039 11.4039 12.9399 12.9399 15.0517 15.0517 k = 0.1887 0.5000-0.0000 ( 790 PWs) bands (ev): -9.4387 -9.4387 -1.6310 -1.6310 2.0888 2.0888 4.0121 4.0121 11.2224 11.2224 12.9799 12.9799 15.2554 15.2554 k = 0.1981 0.5000-0.0000 ( 794 PWs) bands (ev): -9.4102 -9.4102 -1.6011 -1.6011 1.9564 1.9564 4.0277 4.0277 11.0432 11.0432 13.0209 13.0209 15.4628 15.4628 k = 0.2075 0.5000-0.0000 ( 794 PWs) bands (ev): -9.3809 -9.3809 -1.5703 -1.5703 1.8240 1.8240 4.0436 4.0436 10.8666 10.8666 13.0629 13.0629 15.6731 15.6731 k = 0.2170 0.5000-0.0000 ( 794 PWs) bands (ev): -9.3507 -9.3507 -1.5385 -1.5385 1.6918 1.6918 4.0600 4.0600 10.6929 10.6929 13.1058 13.1058 15.7869 15.7869 k = 0.2264 0.5000-0.0000 ( 794 PWs) bands (ev): -9.3197 -9.3197 -1.5059 -1.5059 1.5602 1.5602 4.0766 4.0766 10.5221 10.5221 13.1498 13.1498 15.8198 15.8198 k = 0.2358 0.5000-0.0000 ( 786 PWs) bands (ev): -9.2880 -9.2880 -1.4726 -1.4726 1.4297 1.4297 4.0935 4.0935 10.3546 10.3546 13.1946 13.1946 15.8534 15.8534 k = 0.2453 0.5000-0.0000 ( 782 PWs) bands (ev): -9.2558 -9.2558 -1.4386 -1.4386 1.3004 1.3004 4.1106 4.1106 10.1905 10.1905 13.2403 13.2403 15.8876 15.8876 k = 0.2547 0.5000-0.0000 ( 786 PWs) bands (ev): -9.2230 -9.2230 -1.4041 -1.4041 1.1728 1.1728 4.1279 4.1279 10.0300 10.0300 13.2868 13.2868 15.9224 15.9224 k = 0.2642 0.5000-0.0000 ( 790 PWs) bands (ev): -9.1899 -9.1899 -1.3692 -1.3692 1.0472 1.0472 4.1452 4.1452 9.8733 9.8733 13.3339 13.3339 15.9575 15.9575 k = 0.2736 0.5000-0.0000 ( 790 PWs) bands (ev): -9.1564 -9.1564 -1.3340 -1.3340 0.9238 0.9238 4.1626 4.1626 9.7206 9.7206 13.3816 13.3816 15.9930 15.9930 k = 0.2830 0.5000-0.0000 ( 790 PWs) bands (ev): -9.1228 -9.1228 -1.2985 -1.2985 0.8029 0.8029 4.1799 4.1799 9.5720 9.5720 13.4298 13.4298 16.0287 16.0287 k = 0.2925 0.5000-0.0000 ( 790 PWs) bands (ev): -9.0891 -9.0891 -1.2630 -1.2630 0.6848 0.6848 4.1971 4.1971 9.4278 9.4278 13.4783 13.4783 16.0644 16.0644 k = 0.3019 0.5000-0.0000 ( 792 PWs) bands (ev): -9.0555 -9.0555 -1.2276 -1.2276 0.5697 0.5697 4.2142 4.2142 9.2882 9.2882 13.5270 13.5270 16.1001 16.1001 k = 0.3113 0.5000-0.0000 ( 792 PWs) bands (ev): -9.0220 -9.0220 -1.1923 -1.1923 0.4579 0.4579 4.2310 4.2310 9.1533 9.1533 13.5757 13.5757 16.1356 16.1356 k = 0.3208 0.5000-0.0000 ( 792 PWs) bands (ev): -8.9889 -8.9889 -1.1574 -1.1574 0.3497 0.3497 4.2476 4.2476 9.0233 9.0233 13.6243 13.6243 16.1707 16.1707 k = 0.3302 0.5000-0.0000 ( 792 PWs) bands (ev): -8.9562 -8.9562 -1.1229 -1.1229 0.2453 0.2453 4.2637 4.2637 8.8984 8.8984 13.6725 13.6725 16.2053 16.2053 k = 0.3396 0.5000-0.0000 ( 792 PWs) bands (ev): -8.9242 -8.9242 -1.0890 -1.0890 0.1449 0.1449 4.2795 4.2795 8.7788 8.7788 13.7203 13.7203 16.2394 16.2394 k = 0.3491 0.5000-0.0000 ( 788 PWs) bands (ev): -8.8928 -8.8928 -1.0560 -1.0560 0.0487 0.0487 4.2948 4.2948 8.6647 8.6647 13.7673 13.7673 16.2726 16.2726 k = 0.3585 0.5000-0.0000 ( 784 PWs) bands (ev): -8.8623 -8.8623 -1.0238 -1.0238 -0.0430 -0.0430 4.3095 4.3095 8.5563 8.5563 13.8134 13.8134 16.3049 16.3049 k = 0.3679 0.5000-0.0000 ( 788 PWs) bands (ev): -8.8329 -8.8329 -0.9928 -0.9928 -0.1299 -0.1299 4.3236 4.3236 8.4538 8.4538 13.8583 13.8583 16.3360 16.3360 k = 0.3774 0.5000-0.0000 ( 788 PWs) bands (ev): -8.8047 -8.8047 -0.9630 -0.9630 -0.2120 -0.2120 4.3370 4.3370 8.3573 8.3573 13.9017 13.9017 16.3659 16.3659 k = 0.3868 0.5000-0.0000 ( 792 PWs) bands (ev): -8.7778 -8.7778 -0.9347 -0.9347 -0.2888 -0.2888 4.3497 4.3497 8.2671 8.2671 13.9434 13.9434 16.3944 16.3944 k = 0.3962 0.5000-0.0000 ( 784 PWs) bands (ev): -8.7524 -8.7524 -0.9080 -0.9080 -0.3604 -0.3604 4.3616 4.3616 8.1833 8.1833 13.9832 13.9832 16.4214 16.4214 k = 0.4057 0.5000-0.0000 ( 784 PWs) bands (ev): -8.7286 -8.7286 -0.8830 -0.8830 -0.4263 -0.4263 4.3727 4.3727 8.1061 8.1061 14.0207 14.0207 16.4465 16.4465 k = 0.4151 0.5000-0.0000 ( 786 PWs) bands (ev): -8.7066 -8.7066 -0.8600 -0.8600 -0.4865 -0.4865 4.3828 4.3828 8.0356 8.0356 14.0557 14.0557 16.4698 16.4698 k = 0.4245 0.5000-0.0000 ( 782 PWs) bands (ev): -8.6865 -8.6865 -0.8391 -0.8391 -0.5408 -0.5408 4.3921 4.3921 7.9721 7.9721 14.0880 14.0880 16.4911 16.4911 k = 0.4340 0.5000-0.0000 ( 778 PWs) bands (ev): -8.6684 -8.6684 -0.8205 -0.8205 -0.5888 -0.5888 4.4003 4.4003 7.9157 7.9157 14.1172 14.1172 16.5102 16.5102 k = 0.4434 0.5000-0.0000 ( 778 PWs) bands (ev): -8.6525 -8.6525 -0.8046 -0.8046 -0.6303 -0.6303 4.4076 4.4076 7.8665 7.8665 14.1430 14.1430 16.5271 16.5271 k = 0.4528 0.5000-0.0000 ( 778 PWs) bands (ev): -8.6388 -8.6388 -0.7915 -0.7915 -0.6650 -0.6650 4.4138 4.4138 7.8247 7.8247 14.1654 14.1654 16.5415 16.5415 k = 0.4623 0.5000-0.0000 ( 780 PWs) bands (ev): -8.6275 -8.6275 -0.7819 -0.7819 -0.6923 -0.6923 4.4189 4.4189 7.7903 7.7903 14.1840 14.1840 16.5535 16.5535 k = 0.4717 0.5000-0.0000 ( 782 PWs) bands (ev): -8.6186 -8.6186 -0.7765 -0.7765 -0.7116 -0.7116 4.4229 4.4229 7.7634 7.7634 14.1986 14.1986 16.5629 16.5629 k = 0.4811 0.5000-0.0000 ( 784 PWs) bands (ev): -8.6123 -8.6123 -0.7754 -0.7754 -0.7226 -0.7226 4.4257 4.4257 7.7442 7.7442 14.2092 14.2092 16.5696 16.5696 k = 0.4906 0.5000-0.0000 ( 784 PWs) bands (ev): -8.6084 -8.6084 -0.7767 -0.7767 -0.7272 -0.7272 4.4275 4.4275 7.7326 7.7326 14.2156 14.2156 16.5736 16.5743 k = 0.5000 0.5000-0.0000 ( 784 PWs) bands (ev): -8.6071 -8.6071 -0.7776 -0.7776 -0.7283 -0.7283 4.4280 4.4280 7.7288 7.7288 14.2178 14.2178 16.5746 16.5758 k = 0.5000 0.5000-0.0000 ( 784 PWs) bands (ev): -8.6071 -8.6071 -0.7776 -0.7776 -0.7283 -0.7283 4.4280 4.4280 7.7288 7.7288 14.2178 14.2178 16.5746 16.5758 k = 0.4932 0.4932-0.0000 ( 784 PWs) bands (ev): -8.6084 -8.6084 -0.7766 -0.7766 -0.7273 -0.7273 4.4274 4.4274 7.7327 7.7327 14.2156 14.2156 16.5753 16.5764 k = 0.4865 0.4865-0.0000 ( 784 PWs) bands (ev): -8.6124 -8.6124 -0.7735 -0.7735 -0.7242 -0.7242 4.4257 4.4257 7.7446 7.7446 14.2090 14.2090 16.5757 16.5757 k = 0.4797 0.4797-0.0000 ( 780 PWs) bands (ev): -8.6190 -8.6190 -0.7685 -0.7685 -0.7191 -0.7191 4.4227 4.4227 7.7644 7.7644 14.1980 14.1980 16.5768 16.5768 k = 0.4730 0.4730-0.0000 ( 780 PWs) bands (ev): -8.6282 -8.6282 -0.7614 -0.7614 -0.7120 -0.7120 4.4186 4.4186 7.7919 7.7919 14.1828 14.1828 16.5783 16.5786 k = 0.4662 0.4662-0.0000 ( 778 PWs) bands (ev): -8.6399 -8.6399 -0.7524 -0.7524 -0.7027 -0.7027 4.4133 4.4133 7.8273 7.8273 14.1633 14.1633 16.5803 16.5804 k = 0.4595 0.4595-0.0000 ( 778 PWs) bands (ev): -8.6542 -8.6542 -0.7414 -0.7414 -0.6913 -0.6913 4.4069 4.4069 7.8703 7.8703 14.1396 14.1396 16.5828 16.5828 k = 0.4527 0.4527-0.0000 ( 782 PWs) bands (ev): -8.6710 -8.6710 -0.7285 -0.7285 -0.6778 -0.6778 4.3993 4.3993 7.9210 7.9210 14.1119 14.1119 16.5859 16.5859 k = 0.4459 0.4459-0.0000 ( 788 PWs) bands (ev): -8.6902 -8.6902 -0.7136 -0.7136 -0.6620 -0.6620 4.3906 4.3906 7.9791 7.9791 14.0802 14.0802 16.5897 16.5897 k = 0.4392 0.4392-0.0000 ( 788 PWs) bands (ev): -8.7118 -8.7118 -0.6969 -0.6969 -0.6439 -0.6439 4.3808 4.3808 8.0446 8.0446 14.0447 14.0447 16.5942 16.5942 k = 0.4324 0.4324-0.0000 ( 788 PWs) bands (ev): -8.7356 -8.7356 -0.6783 -0.6783 -0.6236 -0.6236 4.3699 4.3699 8.1173 8.1173 14.0055 14.0055 16.5996 16.5996 k = 0.4257 0.4257-0.0000 ( 788 PWs) bands (ev): -8.7617 -8.7617 -0.6577 -0.6577 -0.6010 -0.6010 4.3579 4.3579 8.1971 8.1971 13.9628 13.9628 16.6058 16.6058 k = 0.4189 0.4189-0.0000 ( 788 PWs) bands (ev): -8.7900 -8.7900 -0.6353 -0.6353 -0.5760 -0.5760 4.3449 4.3449 8.2838 8.2838 13.9168 13.9168 16.6131 16.6131 k = 0.4122 0.4122-0.0000 ( 788 PWs) bands (ev): -8.8203 -8.8203 -0.6110 -0.6110 -0.5487 -0.5487 4.3308 4.3308 8.3772 8.3772 13.8676 13.8676 16.6216 16.6216 k = 0.4054 0.4054-0.0000 ( 796 PWs) bands (ev): -8.8526 -8.8526 -0.5847 -0.5847 -0.5192 -0.5192 4.3158 4.3158 8.4771 8.4771 13.8154 13.8154 16.6312 16.6312 k = 0.3986 0.3986-0.0000 ( 796 PWs) bands (ev): -8.8868 -8.8868 -0.5564 -0.5564 -0.4873 -0.4873 4.2998 4.2998 8.5834 8.5834 13.7606 13.7606 16.6421 16.6421 k = 0.3919 0.3919-0.0000 ( 788 PWs) bands (ev): -8.9227 -8.9227 -0.5262 -0.5262 -0.4531 -0.4531 4.2829 4.2829 8.6957 8.6957 13.7032 13.7032 16.6545 16.6545 k = 0.3851 0.3851-0.0000 ( 788 PWs) bands (ev): -8.9603 -8.9603 -0.4939 -0.4939 -0.4167 -0.4167 4.2651 4.2651 8.8139 8.8139 13.6435 13.6435 16.6684 16.6684 k = 0.3784 0.3784-0.0000 ( 786 PWs) bands (ev): -8.9995 -8.9995 -0.4595 -0.4595 -0.3781 -0.3781 4.2464 4.2464 8.9377 8.9377 13.5817 13.5817 16.6838 16.6838 k = 0.3716 0.3716-0.0000 ( 782 PWs) bands (ev): -9.0401 -9.0401 -0.4231 -0.4231 -0.3372 -0.3372 4.2269 4.2269 9.0669 9.0669 13.5181 13.5181 16.7010 16.7010 k = 0.3649 0.3649-0.0000 ( 782 PWs) bands (ev): -9.0821 -9.0821 -0.3845 -0.3845 -0.2942 -0.2942 4.2066 4.2066 9.2010 9.2010 13.4530 13.4530 16.7200 16.7200 k = 0.3581 0.3581-0.0000 ( 782 PWs) bands (ev): -9.1254 -9.1254 -0.3438 -0.3438 -0.2490 -0.2490 4.1855 4.1855 9.3399 9.3399 13.3866 13.3866 16.7409 16.7409 k = 0.3514 0.3514-0.0000 ( 790 PWs) bands (ev): -9.1698 -9.1698 -0.3010 -0.3010 -0.2017 -0.2017 4.1638 4.1638 9.4832 9.4832 13.3191 13.3191 16.7637 16.7637 k = 0.3446 0.3446-0.0000 ( 790 PWs) bands (ev): -9.2152 -9.2152 -0.2560 -0.2560 -0.1523 -0.1523 4.1414 4.1414 9.6305 9.6305 13.2510 13.2510 16.7885 16.7885 k = 0.3378 0.3378-0.0000 ( 786 PWs) bands (ev): -9.2615 -9.2615 -0.2088 -0.2088 -0.1008 -0.1008 4.1184 4.1184 9.7813 9.7813 13.1823 13.1823 16.8155 16.8155 k = 0.3311 0.3311-0.0000 ( 786 PWs) bands (ev): -9.3086 -9.3086 -0.1595 -0.1595 -0.0473 -0.0473 4.0948 4.0948 9.9353 9.9353 13.1136 13.1136 16.8447 16.8447 k = 0.3243 0.3243-0.0000 ( 786 PWs) bands (ev): -9.3564 -9.3564 -0.1080 -0.1080 0.0083 0.0083 4.0706 4.0706 10.0917 10.0917 13.0451 13.0451 16.8761 16.8761 k = 0.3176 0.3176-0.0000 ( 790 PWs) bands (ev): -9.4048 -9.4048 -0.0543 -0.0543 0.0657 0.0657 4.0460 4.0460 10.2501 10.2501 12.9773 12.9773 16.9098 16.9098 k = 0.3108 0.3108-0.0000 ( 788 PWs) bands (ev): -9.4537 -9.4537 0.0015 0.0015 0.1252 0.1252 4.0210 4.0210 10.4095 10.4095 12.9107 12.9107 16.9458 16.9458 k = 0.3041 0.3041-0.0000 ( 788 PWs) bands (ev): -9.5030 -9.5030 0.0594 0.0594 0.1865 0.1865 3.9956 3.9956 10.5690 10.5690 12.8458 12.8458 16.9841 16.9841 k = 0.2973 0.2973-0.0000 ( 784 PWs) bands (ev): -9.5526 -9.5526 0.1194 0.1194 0.2497 0.2497 3.9699 3.9699 10.7274 10.7274 12.7836 12.7836 16.9703 16.9703 k = 0.2905 0.2905-0.0000 ( 784 PWs) bands (ev): -9.6023 -9.6023 0.1815 0.1815 0.3146 0.3146 3.9438 3.9438 10.8831 10.8831 12.7250 12.7250 16.7972 16.7972 k = 0.2838 0.2838-0.0000 ( 784 PWs) bands (ev): -9.6521 -9.6521 0.2456 0.2456 0.3814 0.3814 3.9176 3.9176 11.0340 11.0340 12.6714 12.6714 16.6208 16.6208 k = 0.2770 0.2770-0.0000 ( 778 PWs) bands (ev): -9.7020 -9.7020 0.3117 0.3117 0.4499 0.4499 3.8911 3.8911 11.1773 11.1773 12.6249 12.6249 16.4418 16.4418 k = 0.2703 0.2703-0.0000 ( 778 PWs) bands (ev): -9.7517 -9.7517 0.3798 0.3798 0.5200 0.5200 3.8645 3.8645 11.3092 11.3092 12.5881 12.5881 16.2607 16.2607 k = 0.2635 0.2635-0.0000 ( 778 PWs) bands (ev): -9.8012 -9.8012 0.4498 0.4498 0.5917 0.5917 3.8378 3.8378 11.4250 11.4250 12.5648 12.5648 16.0780 16.0780 k = 0.2568 0.2568-0.0000 ( 784 PWs) bands (ev): -9.8505 -9.8505 0.5216 0.5216 0.6650 0.6650 3.8111 3.8111 11.5192 11.5192 12.5588 12.5588 15.8941 15.8941 k = 0.2500 0.2500-0.0000 ( 784 PWs) bands (ev): -9.8994 -9.8994 0.5953 0.5953 0.7398 0.7398 3.7844 3.7844 11.5868 11.5868 12.5733 12.5733 15.7093 15.7093 k = 0.2432 0.2432-0.0000 ( 784 PWs) bands (ev): -9.9478 -9.9478 0.6707 0.6707 0.8159 0.8159 3.7578 3.7578 11.6260 11.6260 12.6081 12.6081 15.5240 15.5240 k = 0.2365 0.2365-0.0000 ( 784 PWs) bands (ev): -9.9958 -9.9958 0.7478 0.7478 0.8935 0.8935 3.7313 3.7313 11.6389 11.6389 12.6584 12.6584 15.3385 15.3385 k = 0.2297 0.2297-0.0000 ( 784 PWs) bands (ev): -10.0431 -10.0431 0.8264 0.8264 0.9722 0.9722 3.7049 3.7049 11.6305 11.6305 12.7163 12.7163 15.1532 15.1532 k = 0.2230 0.2230-0.0000 ( 784 PWs) bands (ev): -10.0898 -10.0898 0.9066 0.9066 1.0522 1.0522 3.6788 3.6788 11.6067 11.6067 12.7732 12.7732 14.9682 14.9682 k = 0.2162 0.2162-0.0000 ( 784 PWs) bands (ev): -10.1357 -10.1357 0.9882 0.9882 1.1333 1.1333 3.6529 3.6529 11.5722 11.5722 12.8214 12.8214 14.7840 14.7840 k = 0.2095 0.2095-0.0000 ( 784 PWs) bands (ev): -10.1809 -10.1809 1.0711 1.0711 1.2153 1.2153 3.6273 3.6273 11.5306 11.5306 12.8548 12.8548 14.6007 14.6007 k = 0.2027 0.2027-0.0000 ( 782 PWs) bands (ev): -10.2252 -10.2252 1.1552 1.1552 1.2982 1.2982 3.6021 3.6021 11.4843 11.4843 12.8696 12.8696 14.4186 14.4186 k = 0.1959 0.1959-0.0000 ( 782 PWs) bands (ev): -10.2686 -10.2686 1.2404 1.2404 1.3819 1.3819 3.5772 3.5772 11.4350 11.4350 12.8639 12.8639 14.2380 14.2380 k = 0.1892 0.1892-0.0000 ( 782 PWs) bands (ev): -10.3110 -10.3110 1.3265 1.3265 1.4662 1.4662 3.5528 3.5528 11.3837 11.3837 12.8376 12.8376 14.0591 14.0591 k = 0.1824 0.1824-0.0000 ( 782 PWs) bands (ev): -10.3524 -10.3524 1.4135 1.4135 1.5511 1.5511 3.5289 3.5289 11.3312 11.3312 12.7918 12.7918 13.8822 13.8822 k = 0.1757 0.1757-0.0000 ( 782 PWs) bands (ev): -10.3926 -10.3926 1.5011 1.5011 1.6363 1.6363 3.5054 3.5054 11.2781 11.2781 12.7289 12.7289 13.7075 13.7075 k = 0.1689 0.1689-0.0000 ( 782 PWs) bands (ev): -10.4318 -10.4318 1.5893 1.5893 1.7217 1.7217 3.4826 3.4826 11.2247 11.2247 12.6515 12.6515 13.5353 13.5353 k = 0.1622 0.1622-0.0000 ( 782 PWs) bands (ev): -10.4697 -10.4697 1.6777 1.6777 1.8072 1.8072 3.4603 3.4603 11.1712 11.1712 12.5625 12.5625 13.3659 13.3659 k = 0.1554 0.1554-0.0000 ( 782 PWs) bands (ev): -10.5065 -10.5065 1.7663 1.7663 1.8926 1.8926 3.4387 3.4387 11.1178 11.1178 12.4646 12.4646 13.1994 13.1994 k = 0.1486 0.1486-0.0000 ( 782 PWs) bands (ev): -10.5419 -10.5419 1.8548 1.8548 1.9776 1.9776 3.4177 3.4177 11.0645 11.0645 12.3604 12.3604 13.0363 13.0363 k = 0.1419 0.1419-0.0000 ( 782 PWs) bands (ev): -10.5761 -10.5761 1.9430 1.9430 2.0622 2.0622 3.3975 3.3975 11.0112 11.0112 12.2519 12.2519 12.8768 12.8768 k = 0.1351 0.1351-0.0000 ( 778 PWs) bands (ev): -10.6089 -10.6089 2.0306 2.0306 2.1460 2.1460 3.3780 3.3780 10.9580 10.9580 12.1413 12.1413 12.7212 12.7212 k = 0.1284 0.1284-0.0000 ( 778 PWs) bands (ev): -10.6403 -10.6403 2.1174 2.1174 2.2289 2.2289 3.3593 3.3593 10.9047 10.9047 12.0302 12.0302 12.5697 12.5697 k = 0.1216 0.1216-0.0000 ( 774 PWs) bands (ev): -10.6703 -10.6703 2.2030 2.2030 2.3105 2.3105 3.3414 3.3414 10.8511 10.8511 11.9203 11.9203 12.4228 12.4228 k = 0.1149 0.1149-0.0000 ( 774 PWs) bands (ev): -10.6989 -10.6989 2.2872 2.2872 2.3907 2.3907 3.3243 3.3243 10.7970 10.7970 11.8131 11.8131 12.2807 12.2807 k = 0.1081 0.1081-0.0000 ( 774 PWs) bands (ev): -10.7260 -10.7260 2.3695 2.3695 2.4692 2.4692 3.3081 3.3081 10.7423 10.7423 11.7097 11.7097 12.1438 12.1438 k = 0.1014 0.1014-0.0000 ( 772 PWs) bands (ev): -10.7515 -10.7515 2.4497 2.4497 2.5456 2.5456 3.2929 3.2929 10.6868 10.6868 11.6115 11.6115 12.0124 12.0124 k = 0.0946 0.0946-0.0000 ( 772 PWs) bands (ev): -10.7756 -10.7756 2.5272 2.5272 2.6197 2.6197 3.2786 3.2786 10.6304 10.6304 11.5193 11.5193 11.8869 11.8869 k = 0.0878 0.0878-0.0000 ( 772 PWs) bands (ev): -10.7981 -10.7981 2.6018 2.6018 2.6912 2.6912 3.2653 3.2653 10.5732 10.5732 11.4341 11.4341 11.7677 11.7677 k = 0.0811 0.0811-0.0000 ( 772 PWs) bands (ev): -10.8190 -10.8190 2.6729 2.6729 2.7596 2.7596 3.2531 3.2531 10.5153 10.5153 11.3563 11.3563 11.6552 11.6552 k = 0.0743 0.0743-0.0000 ( 770 PWs) bands (ev): -10.8383 -10.8383 2.7401 2.7401 2.8247 2.8247 3.2420 3.2420 10.4574 10.4574 11.2862 11.2862 11.5497 11.5497 k = 0.0676 0.0676-0.0000 ( 770 PWs) bands (ev): -10.8559 -10.8559 2.8029 2.8029 2.8861 2.8861 3.2320 3.2320 10.3999 10.3999 11.2240 11.2240 11.4516 11.4516 k = 0.0608 0.0608-0.0000 ( 770 PWs) bands (ev): -10.8720 -10.8720 2.8609 2.8609 2.9434 2.9434 3.2233 3.2233 10.3438 10.3438 11.1694 11.1694 11.3615 11.3615 k = 0.0541 0.0541-0.0000 ( 770 PWs) bands (ev): -10.8864 -10.8864 2.9134 2.9134 2.9962 2.9962 3.2160 3.2160 10.2900 10.2900 11.1222 11.1222 11.2795 11.2795 k = 0.0473 0.0473-0.0000 ( 771 PWs) bands (ev): -10.8991 -10.8991 2.9600 2.9600 3.0440 3.0440 3.2102 3.2102 10.2395 10.2395 11.0818 11.0818 11.2062 11.2062 k = 0.0405 0.0405-0.0000 ( 771 PWs) bands (ev): -10.9102 -10.9102 3.0002 3.0002 3.0866 3.0866 3.2061 3.2061 10.1935 10.1935 11.0479 11.0479 11.1418 11.1418 k = 0.0338 0.0338-0.0000 ( 763 PWs) bands (ev): -10.9196 -10.9196 3.0335 3.0335 3.1233 3.1233 3.2039 3.2039 10.1528 10.1528 11.0200 11.0200 11.0867 11.0867 k = 0.0270 0.0270-0.0000 ( 761 PWs) bands (ev): -10.9272 -10.9272 3.0596 3.0596 3.1540 3.1540 3.2036 3.2036 10.1182 10.1182 10.9977 10.9977 11.0412 11.0412 k = 0.0203 0.0203-0.0000 ( 757 PWs) bands (ev): -10.9332 -10.9332 3.0786 3.0786 3.1783 3.1783 3.2050 3.2050 10.0906 10.0906 10.9807 10.9807 11.0055 11.0055 k = 0.0135 0.0135-0.0000 ( 751 PWs) bands (ev): -10.9375 -10.9375 3.0910 3.0910 3.1958 3.1958 3.2072 3.2072 10.0705 10.0705 10.9688 10.9688 10.9799 10.9799 k = 0.0068 0.0068-0.0000 ( 751 PWs) bands (ev): -10.9401 -10.9401 3.0978 3.0978 3.2064 3.2064 3.2092 3.2092 10.0582 10.0582 10.9617 10.9617 10.9645 10.9645 k = 0.0000 0.0000 0.0000 ( 751 PWs) bands (ev): -10.9409 -10.9409 3.1000 3.1000 3.2100 3.2100 3.2100 3.2100 10.0541 10.0541 10.9593 10.9593 10.9593 10.9593 k = 0.0000 0.0000 0.0000 ( 751 PWs) bands (ev): -10.9409 -10.9409 3.1000 3.1000 3.2100 3.2100 3.2100 3.2100 10.0541 10.0541 10.9593 10.9593 10.9593 10.9593 k = 0.0055 0.0055 0.0055 ( 751 PWs) bands (ev): -10.9401 -10.9401 3.0979 3.0979 3.2076 3.2076 3.2079 3.2079 10.0582 10.0582 10.9630 10.9630 10.9630 10.9630 k = 0.0110 0.0110 0.0110 ( 751 PWs) bands (ev): -10.9375 -10.9375 3.0915 3.0915 3.2007 3.2007 3.2019 3.2019 10.0704 10.0704 10.9741 10.9741 10.9742 10.9742 k = 0.0165 0.0165 0.0165 ( 760 PWs) bands (ev): -10.9333 -10.9333 3.0810 3.0810 3.1893 3.1893 3.1919 3.1919 10.0907 10.0907 10.9926 10.9926 10.9929 10.9929 k = 0.0220 0.0220 0.0220 ( 760 PWs) bands (ev): -10.9273 -10.9273 3.0664 3.0664 3.1734 3.1734 3.1779 3.1779 10.1189 10.1189 11.0183 11.0183 11.0188 11.0188 k = 0.0275 0.0275 0.0275 ( 766 PWs) bands (ev): -10.9197 -10.9197 3.0476 3.0476 3.1533 3.1533 3.1602 3.1602 10.1548 10.1548 11.0513 11.0513 11.0520 11.0520 k = 0.0330 0.0330 0.0330 ( 766 PWs) bands (ev): -10.9104 -10.9104 3.0250 3.0250 3.1291 3.1291 3.1387 3.1387 10.1982 10.1982 11.0913 11.0913 11.0924 11.0924 k = 0.0385 0.0385 0.0385 ( 766 PWs) bands (ev): -10.8994 -10.8994 2.9985 2.9985 3.1010 3.1010 3.1137 3.1137 10.2488 10.2488 11.1382 11.1382 11.1397 11.1397 k = 0.0440 0.0440 0.0440 ( 766 PWs) bands (ev): -10.8867 -10.8867 2.9683 2.9683 3.0694 3.0694 3.0853 3.0853 10.3062 10.3062 11.1919 11.1919 11.1937 11.1937 k = 0.0495 0.0495 0.0495 ( 763 PWs) bands (ev): -10.8724 -10.8724 2.9345 2.9345 3.0345 3.0345 3.0536 3.0536 10.3702 10.3702 11.2521 11.2521 11.2544 11.2544 k = 0.0549 0.0549 0.0549 ( 763 PWs) bands (ev): -10.8564 -10.8564 2.8974 2.8974 2.9965 2.9965 3.0189 3.0189 10.4403 10.4403 11.3187 11.3187 11.3215 11.3215 k = 0.0604 0.0604 0.0604 ( 763 PWs) bands (ev): -10.8388 -10.8388 2.8571 2.8571 2.9557 2.9557 2.9813 2.9813 10.5160 10.5160 11.3915 11.3915 11.3948 11.3948 k = 0.0659 0.0659 0.0659 ( 766 PWs) bands (ev): -10.8196 -10.8196 2.8138 2.8138 2.9124 2.9124 2.9411 2.9411 10.5970 10.5970 11.4701 11.4701 11.4740 11.4740 k = 0.0714 0.0714 0.0714 ( 766 PWs) bands (ev): -10.7987 -10.7987 2.7677 2.7677 2.8669 2.8669 2.8984 2.8984 10.6827 10.6827 11.5545 11.5545 11.5589 11.5589 k = 0.0769 0.0769 0.0769 ( 766 PWs) bands (ev): -10.7762 -10.7762 2.7191 2.7191 2.8193 2.8193 2.8534 2.8534 10.7726 10.7726 11.6443 11.6443 11.6493 11.6493 k = 0.0824 0.0824 0.0824 ( 772 PWs) bands (ev): -10.7521 -10.7521 2.6682 2.6682 2.7700 2.7700 2.8064 2.8064 10.8661 10.8661 11.7393 11.7393 11.7449 11.7449 k = 0.0879 0.0879 0.0879 ( 772 PWs) bands (ev): -10.7265 -10.7265 2.6152 2.6152 2.7190 2.7190 2.7576 2.7576 10.9627 10.9627 11.8392 11.8392 11.8455 11.8455 k = 0.0934 0.0934 0.0934 ( 772 PWs) bands (ev): -10.6993 -10.6993 2.5605 2.5605 2.6667 2.6667 2.7071 2.7071 11.0618 11.0618 11.9439 11.9439 11.9508 11.9508 k = 0.0989 0.0989 0.0989 ( 772 PWs) bands (ev): -10.6706 -10.6706 2.5043 2.5043 2.6132 2.6132 2.6551 2.6551 11.1626 11.1626 12.0531 12.0531 12.0606 12.0606 k = 0.1044 0.1044 0.1044 ( 772 PWs) bands (ev): -10.6403 -10.6403 2.4468 2.4468 2.5586 2.5586 2.6018 2.6018 11.2645 11.2645 12.1664 12.1664 12.1746 12.1746 k = 0.1099 0.1099 0.1099 ( 772 PWs) bands (ev): -10.6086 -10.6086 2.3882 2.3882 2.5032 2.5032 2.5475 2.5475 11.3667 11.3667 12.2837 12.2837 12.2926 12.2926 k = 0.1154 0.1154 0.1154 ( 772 PWs) bands (ev): -10.5754 -10.5754 2.3288 2.3288 2.4470 2.4470 2.4922 2.4922 11.4684 11.4684 12.4048 12.4048 12.4142 12.4142 k = 0.1209 0.1209 0.1209 ( 772 PWs) bands (ev): -10.5407 -10.5407 2.2688 2.2688 2.3902 2.3902 2.4362 2.4362 11.5686 11.5686 12.5292 12.5292 12.5393 12.5393 k = 0.1264 0.1264 0.1264 ( 772 PWs) bands (ev): -10.5046 -10.5046 2.2084 2.2084 2.3329 2.3329 2.3796 2.3796 11.6665 11.6665 12.6568 12.6568 12.6676 12.6676 k = 0.1319 0.1319 0.1319 ( 778 PWs) bands (ev): -10.4672 -10.4672 2.1477 2.1477 2.2753 2.2753 2.3225 2.3225 11.7610 11.7610 12.7872 12.7872 12.7987 12.7987 k = 0.1374 0.1374 0.1374 ( 778 PWs) bands (ev): -10.4283 -10.4283 2.0870 2.0870 2.2175 2.2175 2.2651 2.2651 11.8510 11.8510 12.9202 12.9202 12.9323 12.9323 k = 0.1429 0.1429 0.1429 ( 778 PWs) bands (ev): -10.3882 -10.3882 2.0263 2.0263 2.1596 2.1596 2.2075 2.2075 11.9353 11.9353 13.0553 13.0553 13.0681 13.0681 k = 0.1484 0.1484 0.1484 ( 787 PWs) bands (ev): -10.3467 -10.3467 1.9659 1.9659 2.1017 2.1017 2.1498 2.1498 12.0129 12.0129 13.1923 13.1923 13.2057 13.2057 k = 0.1538 0.1538 0.1538 ( 787 PWs) bands (ev): -10.3040 -10.3040 1.9059 1.9059 2.0439 2.0439 2.0922 2.0922 12.0824 12.0824 13.3305 13.3305 13.3445 13.3445 k = 0.1593 0.1593 0.1593 ( 787 PWs) bands (ev): -10.2600 -10.2600 1.8463 1.8463 1.9863 1.9863 2.0348 2.0348 12.1427 12.1427 13.4694 13.4694 13.4841 13.4841 k = 0.1648 0.1648 0.1648 ( 793 PWs) bands (ev): -10.2148 -10.2148 1.7874 1.7874 1.9291 1.9291 1.9776 1.9776 12.1929 12.1929 13.6082 13.6082 13.6236 13.6236 k = 0.1703 0.1703 0.1703 ( 796 PWs) bands (ev): -10.1684 -10.1684 1.7291 1.7291 1.8722 1.8722 1.9207 1.9207 12.2320 12.2320 13.7460 13.7460 13.7621 13.7621 k = 0.1758 0.1758 0.1758 ( 796 PWs) bands (ev): -10.1210 -10.1210 1.6716 1.6716 1.8159 1.8159 1.8643 1.8643 12.2593 12.2593 13.8814 13.8814 13.8981 13.8981 k = 0.1813 0.1813 0.1813 ( 796 PWs) bands (ev): -10.0724 -10.0724 1.6150 1.6150 1.7600 1.7600 1.8084 1.8084 12.2745 12.2745 14.0125 14.0125 14.0299 14.0299 k = 0.1868 0.1868 0.1868 ( 796 PWs) bands (ev): -10.0228 -10.0228 1.5592 1.5592 1.7048 1.7048 1.7531 1.7531 12.2774 12.2774 14.1365 14.1365 14.1544 14.1544 k = 0.1923 0.1923 0.1923 ( 796 PWs) bands (ev): -9.9722 -9.9722 1.5045 1.5045 1.6503 1.6503 1.6985 1.6985 12.2682 12.2682 14.2493 14.2493 14.2676 14.2676 k = 0.1978 0.1978 0.1978 ( 796 PWs) bands (ev): -9.9207 -9.9207 1.4509 1.4509 1.5965 1.5965 1.6445 1.6445 12.2474 12.2474 14.3450 14.3450 14.3634 14.3634 k = 0.2033 0.2033 0.2033 ( 790 PWs) bands (ev): -9.8682 -9.8682 1.3983 1.3983 1.5436 1.5436 1.5914 1.5914 12.2156 12.2156 14.4158 14.4158 14.4339 14.4339 k = 0.2088 0.2088 0.2088 ( 790 PWs) bands (ev): -9.8149 -9.8149 1.3469 1.3469 1.4914 1.4914 1.5391 1.5391 12.1737 12.1737 14.4530 14.4530 14.4702 14.4702 k = 0.2143 0.2143 0.2143 ( 790 PWs) bands (ev): -9.7608 -9.7608 1.2967 1.2967 1.4402 1.4402 1.4876 1.4876 12.1228 12.1228 14.4508 14.4508 14.4664 14.4664 k = 0.2198 0.2198 0.2198 ( 784 PWs) bands (ev): -9.7059 -9.7059 1.2477 1.2477 1.3900 1.3900 1.4371 1.4371 12.0639 12.0639 14.4093 14.4093 14.4231 14.4231 k = 0.2253 0.2253 0.2253 ( 784 PWs) bands (ev): -9.6504 -9.6504 1.1999 1.1999 1.3407 1.3407 1.3876 1.3876 11.9981 11.9981 14.3347 14.3347 14.3466 14.3466 k = 0.2308 0.2308 0.2308 ( 784 PWs) bands (ev): -9.5941 -9.5941 1.1534 1.1534 1.2924 1.2924 1.3390 1.3390 11.9265 11.9265 14.2356 14.2356 14.2460 14.2460 k = 0.2363 0.2363 0.2363 ( 784 PWs) bands (ev): -9.5373 -9.5373 1.1082 1.1082 1.2452 1.2452 1.2915 1.2915 11.8500 11.8500 14.1197 14.1197 14.1288 14.1288 k = 0.2418 0.2418 0.2418 ( 784 PWs) bands (ev): -9.4800 -9.4800 1.0643 1.0643 1.1990 1.1990 1.2450 1.2450 11.7696 11.7696 13.9928 13.9928 14.0009 14.0009 k = 0.2473 0.2473 0.2473 ( 784 PWs) bands (ev): -9.4222 -9.4222 1.0217 1.0217 1.1540 1.1540 1.1996 1.1996 11.6862 11.6862 13.8588 13.8588 13.8661 13.8661 k = 0.2527 0.2527 0.2527 ( 784 PWs) bands (ev): -9.3640 -9.3640 0.9804 0.9804 1.1101 1.1101 1.1553 1.1553 11.6006 11.6006 13.7206 13.7206 13.7273 13.7273 k = 0.2582 0.2582 0.2582 ( 778 PWs) bands (ev): -9.3055 -9.3055 0.9405 0.9405 1.0674 1.0674 1.1121 1.1121 11.5135 11.5135 13.5800 13.5800 13.5861 13.5861 k = 0.2637 0.2637 0.2637 ( 778 PWs) bands (ev): -9.2467 -9.2467 0.9018 0.9018 1.0258 1.0258 1.0701 1.0701 11.4256 11.4256 13.4382 13.4382 13.4438 13.4438 k = 0.2692 0.2692 0.2692 ( 778 PWs) bands (ev): -9.1876 -9.1876 0.8644 0.8644 0.9854 0.9854 1.0292 1.0292 11.3373 11.3373 13.2961 13.2961 13.3013 13.3013 k = 0.2747 0.2747 0.2747 ( 784 PWs) bands (ev): -9.1285 -9.1285 0.8283 0.8283 0.9462 0.9462 0.9895 0.9895 11.2493 11.2493 13.1546 13.1546 13.1594 13.1594 k = 0.2802 0.2802 0.2802 ( 784 PWs) bands (ev): -9.0692 -9.0692 0.7935 0.7935 0.9082 0.9082 0.9509 0.9509 11.1620 11.1620 13.0140 13.0140 13.0185 13.0185 k = 0.2857 0.2857 0.2857 ( 784 PWs) bands (ev): -9.0100 -9.0100 0.7599 0.7599 0.8715 0.8715 0.9135 0.9135 11.0758 11.0758 12.8748 12.8748 12.8790 12.8790 k = 0.2912 0.2912 0.2912 ( 790 PWs) bands (ev): -8.9509 -8.9509 0.7276 0.7276 0.8359 0.8359 0.8773 0.8773 10.9912 10.9912 12.7373 12.7373 12.7413 12.7413 k = 0.2967 0.2967 0.2967 ( 790 PWs) bands (ev): -8.8919 -8.8919 0.6964 0.6964 0.8017 0.8017 0.8423 0.8423 10.9083 10.9083 12.6018 12.6018 12.6055 12.6055 k = 0.3022 0.3022 0.3022 ( 790 PWs) bands (ev): -8.8331 -8.8331 0.6665 0.6665 0.7686 0.7686 0.8084 0.8084 10.8275 10.8275 12.4684 12.4684 12.4719 12.4719 k = 0.3077 0.3077 0.3077 ( 789 PWs) bands (ev): -8.7746 -8.7746 0.6377 0.6377 0.7368 0.7368 0.7757 0.7757 10.7492 10.7492 12.3374 12.3374 12.3407 12.3407 k = 0.3132 0.3132 0.3132 ( 783 PWs) bands (ev): -8.7165 -8.7165 0.6101 0.6101 0.7062 0.7062 0.7442 0.7442 10.6734 10.6734 12.2090 12.2090 12.2120 12.2120 k = 0.3187 0.3187 0.3187 ( 783 PWs) bands (ev): -8.6589 -8.6589 0.5835 0.5835 0.6769 0.6769 0.7139 0.7139 10.6005 10.6005 12.0832 12.0832 12.0860 12.0860 k = 0.3242 0.3242 0.3242 ( 783 PWs) bands (ev): -8.6018 -8.6018 0.5580 0.5580 0.6488 0.6488 0.6847 0.6847 10.5306 10.5306 11.9601 11.9601 11.9628 11.9628 k = 0.3297 0.3297 0.3297 ( 789 PWs) bands (ev): -8.5453 -8.5453 0.5335 0.5335 0.6219 0.6219 0.6566 0.6566 10.4639 10.4639 11.8400 11.8400 11.8424 11.8424 k = 0.3352 0.3352 0.3352 ( 789 PWs) bands (ev): -8.4896 -8.4896 0.5100 0.5100 0.5962 0.5962 0.6297 0.6297 10.4006 10.4006 11.7228 11.7228 11.7251 11.7251 k = 0.3407 0.3407 0.3407 ( 789 PWs) bands (ev): -8.4346 -8.4346 0.4875 0.4875 0.5718 0.5718 0.6039 0.6039 10.3406 10.3406 11.6087 11.6087 11.6108 11.6108 k = 0.3462 0.3462 0.3462 ( 783 PWs) bands (ev): -8.3805 -8.3805 0.4660 0.4660 0.5485 0.5485 0.5792 0.5792 10.2843 10.2843 11.4978 11.4978 11.4998 11.4998 k = 0.3516 0.3516 0.3516 ( 786 PWs) bands (ev): -8.3273 -8.3273 0.4453 0.4453 0.5264 0.5264 0.5557 0.5557 10.2316 10.2316 11.3901 11.3901 11.3919 11.3919 k = 0.3571 0.3571 0.3571 ( 786 PWs) bands (ev): -8.2752 -8.2752 0.4256 0.4256 0.5055 0.5055 0.5331 0.5331 10.1825 10.1825 11.2858 11.2858 11.2874 11.2874 k = 0.3626 0.3626 0.3626 ( 786 PWs) bands (ev): -8.2242 -8.2242 0.4067 0.4067 0.4857 0.4857 0.5117 0.5117 10.1373 10.1373 11.1848 11.1848 11.1863 11.1863 k = 0.3681 0.3681 0.3681 ( 786 PWs) bands (ev): -8.1744 -8.1744 0.3886 0.3886 0.4669 0.4669 0.4913 0.4913 10.0958 10.0958 11.0873 11.0873 11.0886 11.0886 k = 0.3736 0.3736 0.3736 ( 786 PWs) bands (ev): -8.1259 -8.1259 0.3714 0.3714 0.4493 0.4493 0.4720 0.4720 10.0581 10.0581 10.9933 10.9933 10.9945 10.9945 k = 0.3791 0.3791 0.3791 ( 786 PWs) bands (ev): -8.0787 -8.0787 0.3550 0.3550 0.4326 0.4326 0.4536 0.4536 10.0242 10.0242 10.9028 10.9028 10.9039 10.9039 k = 0.3846 0.3846 0.3846 ( 783 PWs) bands (ev): -8.0330 -8.0330 0.3395 0.3395 0.4170 0.4170 0.4363 0.4363 9.9939 9.9939 10.8160 10.8160 10.8169 10.8169 k = 0.3901 0.3901 0.3901 ( 783 PWs) bands (ev): -7.9888 -7.9888 0.3247 0.3247 0.4023 0.4023 0.4199 0.4199 9.9674 9.9674 10.7329 10.7329 10.7336 10.7336 k = 0.3956 0.3956 0.3956 ( 780 PWs) bands (ev): -7.9461 -7.9461 0.3107 0.3107 0.3885 0.3885 0.4045 0.4045 9.9444 9.9444 10.6535 10.6535 10.6541 10.6541 k = 0.4011 0.4011 0.4011 ( 780 PWs) bands (ev): -7.9052 -7.9052 0.2975 0.2975 0.3757 0.3757 0.3900 0.3900 9.9249 9.9249 10.5778 10.5778 10.5784 10.5784 k = 0.4066 0.4066 0.4066 ( 780 PWs) bands (ev): -7.8660 -7.8660 0.2850 0.2850 0.3637 0.3637 0.3764 0.3764 9.9088 9.9088 10.5060 10.5060 10.5064 10.5064 k = 0.4121 0.4121 0.4121 ( 780 PWs) bands (ev): -7.8286 -7.8286 0.2734 0.2734 0.3525 0.3525 0.3637 0.3637 9.8958 9.8958 10.4381 10.4381 10.4384 10.4384 k = 0.4176 0.4176 0.4176 ( 780 PWs) bands (ev): -7.7931 -7.7931 0.2625 0.2625 0.3421 0.3421 0.3519 0.3519 9.8858 9.8858 10.3740 10.3740 10.3742 10.3742 k = 0.4231 0.4231 0.4231 ( 780 PWs) bands (ev): -7.7596 -7.7596 0.2523 0.2523 0.3325 0.3325 0.3410 0.3410 9.8785 9.8785 10.3139 10.3139 10.3140 10.3140 k = 0.4286 0.4286 0.4286 ( 780 PWs) bands (ev): -7.7280 -7.7280 0.2429 0.2429 0.3236 0.3236 0.3309 0.3309 9.8738 9.8738 10.2578 10.2578 10.2578 10.2578 k = 0.4341 0.4341 0.4341 ( 780 PWs) bands (ev): -7.6986 -7.6986 0.2342 0.2342 0.3155 0.3155 0.3216 0.3216 9.8713 9.8713 10.2056 10.2056 10.2057 10.2057 k = 0.4396 0.4396 0.4396 ( 780 PWs) bands (ev): -7.6713 -7.6713 0.2262 0.2262 0.3080 0.3080 0.3132 0.3132 9.8707 9.8707 10.1575 10.1575 10.1577 10.1577 k = 0.4451 0.4451 0.4451 ( 780 PWs) bands (ev): -7.6461 -7.6461 0.2190 0.2190 0.3013 0.3013 0.3055 0.3055 9.8719 9.8719 10.1135 10.1135 10.1137 10.1137 k = 0.4505 0.4505 0.4505 ( 780 PWs) bands (ev): -7.6232 -7.6232 0.2125 0.2125 0.2952 0.2952 0.2986 0.2986 9.8743 9.8743 10.0735 10.0735 10.0738 10.0738 k = 0.4560 0.4560 0.4560 ( 780 PWs) bands (ev): -7.6026 -7.6026 0.2067 0.2067 0.2899 0.2899 0.2925 0.2925 9.8777 9.8777 10.0377 10.0377 10.0381 10.0381 k = 0.4615 0.4615 0.4615 ( 780 PWs) bands (ev): -7.5843 -7.5843 0.2016 0.2016 0.2851 0.2851 0.2871 0.2871 9.8818 9.8818 10.0061 10.0061 10.0065 10.0065 k = 0.4670 0.4670 0.4670 ( 780 PWs) bands (ev): -7.5684 -7.5684 0.1972 0.1972 0.2810 0.2810 0.2825 0.2825 9.8861 9.8861 9.9786 9.9786 9.9791 9.9791 k = 0.4725 0.4725 0.4725 ( 780 PWs) bands (ev): -7.5549 -7.5549 0.1934 0.1934 0.2776 0.2776 0.2786 0.2786 9.8905 9.8905 9.9553 9.9553 9.9559 9.9559 k = 0.4780 0.4780 0.4780 ( 780 PWs) bands (ev): -7.5438 -7.5438 0.1904 0.1904 0.2748 0.2748 0.2754 0.2754 9.8945 9.8945 9.9363 9.9363 9.9368 9.9368 k = 0.4835 0.4835 0.4835 ( 789 PWs) bands (ev): -7.5351 -7.5351 0.1880 0.1880 0.2726 0.2726 0.2729 0.2729 9.8979 9.8979 9.9214 9.9214 9.9220 9.9220 k = 0.4890 0.4890 0.4890 ( 789 PWs) bands (ev): -7.5289 -7.5289 0.1863 0.1863 0.2710 0.2710 0.2712 0.2712 9.9005 9.9005 9.9108 9.9108 9.9114 9.9114 k = 0.4945 0.4945 0.4945 ( 795 PWs) bands (ev): -7.5252 -7.5252 0.1853 0.1853 0.2701 0.2701 0.2701 0.2701 9.9020 9.9020 9.9045 9.9045 9.9051 9.9051 k = 0.5000 0.5000 0.5000 ( 840 PWs) bands (ev): -7.5240 -7.5240 0.1850 0.1850 0.2697 0.2697 0.2697 0.2697 9.9023 9.9023 9.9023 9.9023 9.9032 9.9032 k = 0.5000 0.5000 0.5000 ( 840 PWs) bands (ev): -7.5240 -7.5240 0.1850 0.1850 0.2697 0.2697 0.2697 0.2697 9.9023 9.9023 9.9023 9.9023 9.9032 9.9032 k = 0.4932 0.5000 0.4932 ( 790 PWs) bands (ev): -7.5252 -7.5252 0.1853 0.1853 0.2694 0.2694 0.2708 0.2708 9.9013 9.9013 9.9040 9.9040 9.9064 9.9064 k = 0.4865 0.5000 0.4865 ( 782 PWs) bands (ev): -7.5290 -7.5290 0.1861 0.1861 0.2684 0.2684 0.2740 0.2740 9.8974 9.8974 9.9081 9.9081 9.9174 9.9174 k = 0.4797 0.5000 0.4797 ( 782 PWs) bands (ev): -7.5352 -7.5352 0.1870 0.1870 0.2673 0.2673 0.2793 0.2793 9.8910 9.8910 9.9150 9.9150 9.9357 9.9357 k = 0.4730 0.5000 0.4730 ( 782 PWs) bands (ev): -7.5439 -7.5439 0.1870 0.1870 0.2670 0.2670 0.2867 0.2867 9.8823 9.8823 9.9246 9.9246 9.9613 9.9613 k = 0.4662 0.5000 0.4662 ( 782 PWs) bands (ev): -7.5551 -7.5551 0.1849 0.1849 0.2687 0.2687 0.2962 0.2962 9.8716 9.8716 9.9369 9.9369 9.9941 9.9941 k = 0.4595 0.5000 0.4595 ( 782 PWs) bands (ev): -7.5686 -7.5686 0.1798 0.1798 0.2734 0.2734 0.3078 0.3078 9.8592 9.8592 9.9520 9.9520 10.0342 10.0342 k = 0.4527 0.5000 0.4527 ( 782 PWs) bands (ev): -7.5845 -7.5845 0.1710 0.1710 0.2818 0.2818 0.3215 0.3215 9.8454 9.8454 9.9698 9.9698 10.0814 10.0814 k = 0.4459 0.5000 0.4459 ( 782 PWs) bands (ev): -7.6027 -7.6027 0.1586 0.1586 0.2937 0.2937 0.3374 0.3374 9.8308 9.8308 9.9903 9.9903 10.1356 10.1356 k = 0.4392 0.5000 0.4392 ( 782 PWs) bands (ev): -7.6232 -7.6232 0.1431 0.1431 0.3087 0.3087 0.3553 0.3553 9.8156 9.8156 10.0136 10.0136 10.1968 10.1968 k = 0.4324 0.5000 0.4324 ( 782 PWs) bands (ev): -7.6458 -7.6458 0.1248 0.1248 0.3267 0.3267 0.3754 0.3754 9.8003 9.8003 10.0395 10.0395 10.2648 10.2648 k = 0.4257 0.5000 0.4257 ( 782 PWs) bands (ev): -7.6706 -7.6706 0.1040 0.1040 0.3473 0.3473 0.3976 0.3976 9.7853 9.7853 10.0682 10.0682 10.3397 10.3397 k = 0.4189 0.5000 0.4189 ( 782 PWs) bands (ev): -7.6974 -7.6974 0.0809 0.0809 0.3703 0.3703 0.4218 0.4218 9.7710 9.7710 10.0996 10.0996 10.4211 10.4211 k = 0.4122 0.5000 0.4122 ( 782 PWs) bands (ev): -7.7261 -7.7261 0.0557 0.0557 0.3956 0.3956 0.4482 0.4482 9.7577 9.7577 10.1338 10.1338 10.5091 10.5091 k = 0.4054 0.5000 0.4054 ( 782 PWs) bands (ev): -7.7567 -7.7567 0.0285 0.0285 0.4232 0.4232 0.4767 0.4767 9.7459 9.7459 10.1706 10.1706 10.6035 10.6035 k = 0.3986 0.5000 0.3986 ( 782 PWs) bands (ev): -7.7891 -7.7891 -0.0007 -0.0007 0.4530 0.4530 0.5072 0.5072 9.7358 9.7358 10.2101 10.2101 10.7041 10.7041 k = 0.3919 0.5000 0.3919 ( 778 PWs) bands (ev): -7.8231 -7.8231 -0.0316 -0.0316 0.4850 0.4850 0.5398 0.5398 9.7277 9.7277 10.2523 10.2523 10.8108 10.8108 k = 0.3851 0.5000 0.3851 ( 778 PWs) bands (ev): -7.8588 -7.8588 -0.0642 -0.0642 0.5190 0.5190 0.5745 0.5745 9.7220 9.7220 10.2972 10.2972 10.9234 10.9234 k = 0.3784 0.5000 0.3784 ( 778 PWs) bands (ev): -7.8959 -7.8959 -0.0983 -0.0983 0.5551 0.5551 0.6112 0.6112 9.7187 9.7187 10.3448 10.3448 11.0418 11.0418 k = 0.3716 0.5000 0.3716 ( 782 PWs) bands (ev): -7.9344 -7.9344 -0.1340 -0.1340 0.5933 0.5933 0.6499 0.6499 9.7183 9.7183 10.3950 10.3950 11.1658 11.1658 k = 0.3649 0.5000 0.3649 ( 782 PWs) bands (ev): -7.9742 -7.9742 -0.1711 -0.1711 0.6335 0.6335 0.6907 0.6907 9.7207 9.7207 10.4479 10.4479 11.2952 11.2952 k = 0.3581 0.5000 0.3581 ( 780 PWs) bands (ev): -8.0151 -8.0151 -0.2095 -0.2095 0.6758 0.6758 0.7334 0.7334 9.7263 9.7263 10.5034 10.5034 11.4298 11.4298 k = 0.3514 0.5000 0.3514 ( 784 PWs) bands (ev): -8.0571 -8.0571 -0.2492 -0.2492 0.7200 0.7200 0.7781 0.7781 9.7351 9.7351 10.5616 10.5616 11.5694 11.5694 k = 0.3446 0.5000 0.3446 ( 784 PWs) bands (ev): -8.1001 -8.1001 -0.2900 -0.2900 0.7661 0.7661 0.8248 0.8248 9.7474 9.7474 10.6223 10.6223 11.7138 11.7138 k = 0.3378 0.5000 0.3378 ( 784 PWs) bands (ev): -8.1440 -8.1440 -0.3318 -0.3318 0.8142 0.8142 0.8734 0.8734 9.7630 9.7630 10.6857 10.6857 11.8628 11.8628 k = 0.3311 0.5000 0.3311 ( 776 PWs) bands (ev): -8.1886 -8.1886 -0.3745 -0.3745 0.8643 0.8643 0.9238 0.9238 9.7823 9.7823 10.7517 10.7517 12.0162 12.0162 k = 0.3243 0.5000 0.3243 ( 780 PWs) bands (ev): -8.2339 -8.2339 -0.4181 -0.4181 0.9161 0.9161 0.9762 0.9762 9.8051 9.8051 10.8202 10.8202 12.1736 12.1736 k = 0.3176 0.5000 0.3176 ( 780 PWs) bands (ev): -8.2798 -8.2798 -0.4624 -0.4624 0.9699 0.9699 1.0303 1.0303 9.8317 9.8317 10.8913 10.8913 12.3348 12.3348 k = 0.3108 0.5000 0.3108 ( 780 PWs) bands (ev): -8.3261 -8.3261 -0.5074 -0.5074 1.0254 1.0254 1.0862 1.0862 9.8620 9.8620 10.9649 10.9649 12.4995 12.4995 k = 0.3041 0.5000 0.3041 ( 776 PWs) bands (ev): -8.3728 -8.3728 -0.5530 -0.5530 1.0827 1.0827 1.1439 1.1439 9.8960 9.8960 11.0411 11.0411 12.6673 12.6673 k = 0.2973 0.5000 0.2973 ( 776 PWs) bands (ev): -8.4197 -8.4197 -0.5990 -0.5990 1.1418 1.1418 1.2033 1.2033 9.9338 9.9338 11.1197 11.1197 12.8380 12.8380 k = 0.2905 0.5000 0.2905 ( 780 PWs) bands (ev): -8.4668 -8.4668 -0.6453 -0.6453 1.2025 1.2025 1.2644 1.2644 9.9754 9.9754 11.2008 11.2008 13.0110 13.0110 k = 0.2838 0.5000 0.2838 ( 780 PWs) bands (ev): -8.5141 -8.5141 -0.6919 -0.6919 1.2648 1.2648 1.3271 1.3271 10.0208 10.0208 11.2844 11.2844 13.1859 13.1859 k = 0.2770 0.5000 0.2770 ( 780 PWs) bands (ev): -8.5613 -8.5613 -0.7387 -0.7387 1.3288 1.3288 1.3914 1.3914 10.0700 10.0700 11.3703 11.3703 13.3621 13.3621 k = 0.2703 0.5000 0.2703 ( 780 PWs) bands (ev): -8.6084 -8.6084 -0.7856 -0.7856 1.3943 1.3943 1.4571 1.4571 10.1229 10.1229 11.4587 11.4587 13.5390 13.5390 k = 0.2635 0.5000 0.2635 ( 780 PWs) bands (ev): -8.6553 -8.6553 -0.8324 -0.8324 1.4612 1.4612 1.5243 1.5243 10.1796 10.1796 11.5494 11.5494 13.7158 13.7158 k = 0.2568 0.5000 0.2568 ( 780 PWs) bands (ev): -8.7020 -8.7020 -0.8792 -0.8792 1.5296 1.5296 1.5930 1.5930 10.2400 10.2400 11.6424 11.6424 13.8914 13.8914 k = 0.2500 0.5000 0.2500 ( 780 PWs) bands (ev): -8.7484 -8.7484 -0.9257 -0.9257 1.5992 1.5992 1.6629 1.6629 10.3042 10.3042 11.7376 11.7376 14.0647 14.0647 k = 0.2432 0.5000 0.2432 ( 780 PWs) bands (ev): -8.7943 -8.7943 -0.9720 -0.9720 1.6702 1.6702 1.7341 1.7341 10.3720 10.3720 11.8351 11.8351 14.2343 14.2343 k = 0.2365 0.5000 0.2365 ( 784 PWs) bands (ev): -8.8398 -8.8398 -1.0179 -1.0179 1.7423 1.7423 1.8065 1.8065 10.4435 10.4435 11.9348 11.9348 14.3981 14.3981 k = 0.2297 0.5000 0.2297 ( 788 PWs) bands (ev): -8.8847 -8.8847 -1.0634 -1.0634 1.8155 1.8155 1.8799 1.8799 10.5186 10.5186 12.0366 12.0366 14.5537 14.5537 k = 0.2230 0.5000 0.2230 ( 784 PWs) bands (ev): -8.9290 -8.9290 -1.1084 -1.1084 1.8898 1.8898 1.9544 1.9544 10.5973 10.5973 12.1405 12.1405 14.6982 14.6982 k = 0.2162 0.5000 0.2162 ( 784 PWs) bands (ev): -8.9726 -8.9726 -1.1527 -1.1527 1.9649 1.9649 2.0298 2.0298 10.6795 10.6795 12.2464 12.2464 14.8277 14.8277 k = 0.2095 0.5000 0.2095 ( 784 PWs) bands (ev): -9.0154 -9.0154 -1.1965 -1.1965 2.0408 2.0408 2.1060 2.1060 10.7653 10.7653 12.3543 12.3543 14.9378 14.9378 k = 0.2027 0.5000 0.2027 ( 786 PWs) bands (ev): -9.0575 -9.0575 -1.2394 -1.2394 2.1174 2.1174 2.1829 2.1829 10.8545 10.8545 12.4640 12.4640 15.0239 15.0239 k = 0.1959 0.5000 0.1959 ( 786 PWs) bands (ev): -9.0987 -9.0987 -1.2816 -1.2816 2.1946 2.1946 2.2604 2.2604 10.9471 10.9471 12.5754 12.5754 15.0815 15.0815 k = 0.1892 0.5000 0.1892 ( 786 PWs) bands (ev): -9.1389 -9.1389 -1.3229 -1.3229 2.2722 2.2722 2.3383 2.3383 11.0432 11.0432 12.6886 12.6886 15.1080 15.1080 k = 0.1824 0.5000 0.1824 ( 786 PWs) bands (ev): -9.1782 -9.1782 -1.3633 -1.3633 2.3501 2.3501 2.4166 2.4166 11.1425 11.1425 12.8033 12.8033 15.0957 15.0957 k = 0.1757 0.5000 0.1757 ( 782 PWs) bands (ev): -9.2165 -9.2165 -1.4027 -1.4027 2.4282 2.4282 2.4950 2.4950 11.2452 11.2452 12.9195 12.9195 14.9311 14.9311 k = 0.1689 0.5000 0.1689 ( 782 PWs) bands (ev): -9.2537 -9.2537 -1.4411 -1.4411 2.5062 2.5062 2.5735 2.5735 11.3511 11.3511 13.0370 13.0370 14.7619 14.7619 k = 0.1622 0.5000 0.1622 ( 782 PWs) bands (ev): -9.2897 -9.2897 -1.4783 -1.4783 2.5841 2.5841 2.6518 2.6518 11.4602 11.4602 13.1557 13.1557 14.5959 14.5959 k = 0.1554 0.5000 0.1554 ( 782 PWs) bands (ev): -9.3246 -9.3246 -1.5145 -1.5145 2.6616 2.6616 2.7298 2.7298 11.5725 11.5725 13.2754 13.2754 14.4336 14.4336 k = 0.1486 0.5000 0.1486 ( 782 PWs) bands (ev): -9.3583 -9.3583 -1.5494 -1.5494 2.7386 2.7386 2.8073 2.8073 11.6879 11.6879 13.3959 13.3959 14.2751 14.2751 k = 0.1419 0.5000 0.1419 ( 786 PWs) bands (ev): -9.3908 -9.3908 -1.5830 -1.5830 2.8149 2.8149 2.8841 2.8841 11.8063 11.8063 13.5171 13.5171 14.1208 14.1208 k = 0.1351 0.5000 0.1351 ( 786 PWs) bands (ev): -9.4220 -9.4220 -1.6154 -1.6154 2.8902 2.8902 2.9600 2.9600 11.9277 11.9277 13.6386 13.6386 13.9708 13.9708 k = 0.1284 0.5000 0.1284 ( 786 PWs) bands (ev): -9.4519 -9.4519 -1.6465 -1.6465 2.9643 2.9643 3.0347 3.0347 12.0520 12.0520 13.7603 13.7603 13.8254 13.8254 k = 0.1216 0.5000 0.1216 ( 792 PWs) bands (ev): -9.4804 -9.4804 -1.6762 -1.6762 3.0370 3.0370 3.1080 3.1080 12.1793 12.1793 13.6848 13.6848 13.8819 13.8819 k = 0.1149 0.5000 0.1149 ( 792 PWs) bands (ev): -9.5076 -9.5076 -1.7045 -1.7045 3.1081 3.1081 3.1798 3.1798 12.3093 12.3093 13.5494 13.5494 14.0029 14.0029 k = 0.1081 0.5000 0.1081 ( 792 PWs) bands (ev): -9.5333 -9.5333 -1.7313 -1.7313 3.1773 3.1773 3.2496 3.2496 12.4421 12.4421 13.4194 13.4194 14.0215 14.0215 k = 0.1014 0.5000 0.1014 ( 800 PWs) bands (ev): -9.5577 -9.5577 -1.7567 -1.7567 3.2443 3.2443 3.3173 3.3173 12.5776 12.5776 13.2952 13.2952 13.9068 13.9068 k = 0.0946 0.5000 0.0946 ( 800 PWs) bands (ev): -9.5806 -9.5806 -1.7805 -1.7805 3.3089 3.3089 3.3825 3.3825 12.7157 12.7157 13.1769 13.1769 13.7961 13.7961 k = 0.0878 0.5000 0.0878 ( 794 PWs) bands (ev): -9.6019 -9.6019 -1.8029 -1.8029 3.3707 3.3707 3.4450 3.4450 12.8562 12.8562 13.0650 13.0650 13.6900 13.6900 k = 0.0811 0.5000 0.0811 ( 794 PWs) bands (ev): -9.6218 -9.6218 -1.8237 -1.8237 3.4295 3.4295 3.5045 3.5045 12.9591 12.9591 12.9997 12.9997 13.5891 13.5891 k = 0.0743 0.5000 0.0743 ( 794 PWs) bands (ev): -9.6402 -9.6402 -1.8429 -1.8429 3.4851 3.4851 3.5606 3.5606 12.8611 12.8611 13.1444 13.1444 13.4942 13.4942 k = 0.0676 0.5000 0.0676 ( 794 PWs) bands (ev): -9.6570 -9.6570 -1.8605 -1.8605 3.5370 3.5370 3.6132 3.6132 12.7700 12.7700 13.2915 13.2915 13.4058 13.4058 k = 0.0608 0.5000 0.0608 ( 798 PWs) bands (ev): -9.6723 -9.6723 -1.8765 -1.8765 3.5850 3.5850 3.6618 3.6618 12.6864 12.6864 13.3239 13.3239 13.4408 13.4408 k = 0.0541 0.5000 0.0541 ( 798 PWs) bands (ev): -9.6860 -9.6860 -1.8908 -1.8908 3.6288 3.6288 3.7062 3.7062 12.6107 12.6107 13.2497 13.2497 13.5912 13.5912 k = 0.0473 0.5000 0.0473 ( 794 PWs) bands (ev): -9.6981 -9.6981 -1.9035 -1.9035 3.6683 3.6683 3.7461 3.7461 12.5431 12.5431 13.1832 13.1832 13.7426 13.7426 k = 0.0405 0.5000 0.0405 ( 802 PWs) bands (ev): -9.7087 -9.7087 -1.9146 -1.9146 3.7030 3.7030 3.7813 3.7813 12.4839 12.4839 13.1248 13.1248 13.8942 13.8942 k = 0.0338 0.5000 0.0338 ( 802 PWs) bands (ev): -9.7176 -9.7176 -1.9239 -1.9239 3.7328 3.7328 3.8115 3.8115 12.4333 12.4333 13.0748 13.0748 14.0449 14.0449 k = 0.0270 0.5000 0.0270 ( 804 PWs) bands (ev): -9.7249 -9.7249 -1.9316 -1.9316 3.7575 3.7575 3.8366 3.8366 12.3917 12.3917 13.0335 13.0335 14.1925 14.1925 k = 0.0203 0.5000 0.0203 ( 804 PWs) bands (ev): -9.7306 -9.7306 -1.9376 -1.9376 3.7769 3.7769 3.8563 3.8563 12.3591 12.3591 13.0012 13.0012 14.3330 14.3330 k = 0.0135 0.5000 0.0135 ( 804 PWs) bands (ev): -9.7347 -9.7347 -1.9419 -1.9419 3.7909 3.7909 3.8704 3.8704 12.3357 12.3357 12.9779 12.9779 14.4583 14.4583 k = 0.0068 0.5000 0.0068 ( 804 PWs) bands (ev): -9.7372 -9.7372 -1.9444 -1.9444 3.7993 3.7993 3.8789 3.8789 12.3216 12.3216 12.9639 12.9639 14.5521 14.5521 k = 0.0000 0.5000-0.0000 ( 804 PWs) bands (ev): -9.7380 -9.7380 -1.9453 -1.9453 3.8021 3.8021 3.8818 3.8818 12.3169 12.3169 12.9592 12.9592 14.5887 14.5887 k = 0.5000 0.5000-0.0000 ( 784 PWs) bands (ev): -8.6071 -8.6071 -0.7776 -0.7776 -0.7283 -0.7283 4.4280 4.4280 7.7288 7.7288 14.2178 14.2178 16.5744 16.5758 k = 0.5000 0.5000 0.0094 ( 784 PWs) bands (ev): -8.6063 -8.6063 -0.7769 -0.7769 -0.7276 -0.7276 4.4229 4.4229 7.7300 7.7300 14.2251 14.2251 16.5521 16.5530 k = 0.5000 0.5000 0.0189 ( 784 PWs) bands (ev): -8.6040 -8.6040 -0.7747 -0.7747 -0.7254 -0.7254 4.4077 4.4077 7.7337 7.7337 14.2472 14.2472 16.4869 16.4883 k = 0.5000 0.5000 0.0283 ( 784 PWs) bands (ev): -8.6002 -8.6002 -0.7711 -0.7711 -0.7217 -0.7217 4.3826 4.3826 7.7399 7.7399 14.2839 14.2839 16.3848 16.3868 k = 0.5000 0.5000 0.0377 ( 784 PWs) bands (ev): -8.5949 -8.5949 -0.7660 -0.7660 -0.7167 -0.7167 4.3477 4.3477 7.7485 7.7485 14.3348 14.3348 16.2536 16.2550 k = 0.5000 0.5000 0.0472 ( 784 PWs) bands (ev): -8.5880 -8.5880 -0.7596 -0.7596 -0.7102 -0.7102 4.3035 4.3035 7.7595 7.7595 14.3997 14.3997 16.1019 16.1022 k = 0.5000 0.5000 0.0566 ( 784 PWs) bands (ev): -8.5796 -8.5796 -0.7517 -0.7517 -0.7023 -0.7023 4.2503 4.2503 7.7730 7.7730 14.4781 14.4781 15.9350 15.9400 k = 0.5000 0.5000 0.0660 ( 784 PWs) bands (ev): -8.5698 -8.5698 -0.7424 -0.7424 -0.6929 -0.6929 4.1887 4.1887 7.7889 7.7889 14.5695 14.5695 15.7579 15.7633 k = 0.5000 0.5000 0.0755 ( 792 PWs) bands (ev): -8.5585 -8.5585 -0.7318 -0.7318 -0.6822 -0.6822 4.1191 4.1191 7.8073 7.8073 14.6735 14.6735 15.5723 15.5723 k = 0.5000 0.5000 0.0849 ( 792 PWs) bands (ev): -8.5457 -8.5457 -0.7198 -0.7198 -0.6702 -0.6702 4.0422 4.0422 7.8280 7.8280 14.7893 14.7893 15.3824 15.3824 k = 0.5000 0.5000 0.0943 ( 792 PWs) bands (ev): -8.5315 -8.5315 -0.7065 -0.7065 -0.6567 -0.6567 3.9585 3.9585 7.8512 7.8512 14.9165 14.9165 15.1895 15.1895 k = 0.5000 0.5000 0.1038 ( 792 PWs) bands (ev): -8.5160 -8.5160 -0.6919 -0.6919 -0.6420 -0.6420 3.8687 3.8687 7.8767 7.8767 14.9945 14.9945 15.0023 15.0023 k = 0.5000 0.5000 0.1132 ( 792 PWs) bands (ev): -8.4990 -8.4990 -0.6760 -0.6760 -0.6260 -0.6260 3.7733 3.7733 7.9046 7.9046 14.7992 14.7992 14.8070 14.8070 k = 0.5000 0.5000 0.1226 ( 792 PWs) bands (ev): -8.4807 -8.4807 -0.6588 -0.6588 -0.6088 -0.6088 3.6730 3.6730 7.9348 7.9348 14.6038 14.6038 14.6116 14.6116 k = 0.5000 0.5000 0.1321 ( 788 PWs) bands (ev): -8.4611 -8.4611 -0.6405 -0.6405 -0.5903 -0.5903 3.5683 3.5683 7.9673 7.9673 14.4092 14.4092 14.4170 14.4170 k = 0.5000 0.5000 0.1415 ( 788 PWs) bands (ev): -8.4403 -8.4403 -0.6210 -0.6210 -0.5707 -0.5707 3.4599 3.4599 8.0021 8.0021 14.2157 14.2157 14.2235 14.2235 k = 0.5000 0.5000 0.1509 ( 788 PWs) bands (ev): -8.4182 -8.4182 -0.6004 -0.6004 -0.5499 -0.5499 3.3482 3.3482 8.0391 8.0391 14.0239 14.0239 14.0316 14.0316 k = 0.5000 0.5000 0.1604 ( 788 PWs) bands (ev): -8.3950 -8.3950 -0.5787 -0.5787 -0.5281 -0.5281 3.2338 3.2338 8.0783 8.0783 13.8341 13.8341 13.8417 13.8417 k = 0.5000 0.5000 0.1698 ( 788 PWs) bands (ev): -8.3707 -8.3707 -0.5560 -0.5560 -0.5052 -0.5052 3.1172 3.1172 8.1198 8.1198 13.6465 13.6465 13.6540 13.6540 k = 0.5000 0.5000 0.1792 ( 788 PWs) bands (ev): -8.3453 -8.3453 -0.5323 -0.5323 -0.4814 -0.4814 2.9988 2.9988 8.1633 8.1633 13.4615 13.4615 13.4689 13.4689 k = 0.5000 0.5000 0.1887 ( 788 PWs) bands (ev): -8.3189 -8.3189 -0.5078 -0.5078 -0.4566 -0.4566 2.8792 2.8792 8.2090 8.2090 13.2794 13.2794 13.2866 13.2866 k = 0.5000 0.5000 0.1981 ( 788 PWs) bands (ev): -8.2915 -8.2915 -0.4824 -0.4824 -0.4310 -0.4310 2.7587 2.7587 8.2567 8.2567 13.1002 13.1002 13.1072 13.1072 k = 0.5000 0.5000 0.2075 ( 780 PWs) bands (ev): -8.2633 -8.2633 -0.4562 -0.4562 -0.4047 -0.4047 2.6378 2.6378 8.3063 8.3063 12.9242 12.9242 12.9311 12.9311 k = 0.5000 0.5000 0.2170 ( 780 PWs) bands (ev): -8.2342 -8.2342 -0.4293 -0.4293 -0.3776 -0.3776 2.5168 2.5168 8.3579 8.3579 12.7517 12.7517 12.7583 12.7583 k = 0.5000 0.5000 0.2264 ( 788 PWs) bands (ev): -8.2045 -8.2045 -0.4018 -0.4018 -0.3499 -0.3499 2.3961 2.3961 8.4113 8.4113 12.5827 12.5827 12.5891 12.5891 k = 0.5000 0.5000 0.2358 ( 788 PWs) bands (ev): -8.1741 -8.1741 -0.3738 -0.3738 -0.3216 -0.3216 2.2760 2.2760 8.4664 8.4664 12.4174 12.4174 12.4236 12.4236 k = 0.5000 0.5000 0.2453 ( 788 PWs) bands (ev): -8.1431 -8.1431 -0.3453 -0.3453 -0.2929 -0.2929 2.1570 2.1570 8.5233 8.5233 12.2560 12.2560 12.2619 12.2619 k = 0.5000 0.5000 0.2547 ( 788 PWs) bands (ev): -8.1117 -8.1117 -0.3164 -0.3164 -0.2637 -0.2637 2.0392 2.0392 8.5817 8.5817 12.0987 12.0987 12.1044 12.1044 k = 0.5000 0.5000 0.2642 ( 788 PWs) bands (ev): -8.0799 -8.0799 -0.2873 -0.2873 -0.2343 -0.2343 1.9230 1.9230 8.6416 8.6416 11.9455 11.9455 11.9510 11.9510 k = 0.5000 0.5000 0.2736 ( 788 PWs) bands (ev): -8.0479 -8.0479 -0.2580 -0.2580 -0.2047 -0.2047 1.8087 1.8087 8.7028 8.7028 11.7968 11.7968 11.8020 11.8020 k = 0.5000 0.5000 0.2830 ( 780 PWs) bands (ev): -8.0157 -8.0157 -0.2286 -0.2286 -0.1751 -0.1751 1.6965 1.6965 8.7653 8.7653 11.6525 11.6525 11.6574 11.6574 k = 0.5000 0.5000 0.2925 ( 780 PWs) bands (ev): -7.9834 -7.9834 -0.1992 -0.1992 -0.1454 -0.1454 1.5868 1.5868 8.8288 8.8288 11.5129 11.5129 11.5175 11.5175 k = 0.5000 0.5000 0.3019 ( 780 PWs) bands (ev): -7.9512 -7.9512 -0.1700 -0.1700 -0.1159 -0.1159 1.4798 1.4798 8.8932 8.8932 11.3781 11.3781 11.3825 11.3825 k = 0.5000 0.5000 0.3113 ( 780 PWs) bands (ev): -7.9192 -7.9192 -0.1410 -0.1410 -0.0866 -0.0866 1.3757 1.3757 8.9583 8.9583 11.2482 11.2482 11.2523 11.2523 k = 0.5000 0.5000 0.3208 ( 780 PWs) bands (ev): -7.8876 -7.8876 -0.1124 -0.1124 -0.0576 -0.0576 1.2749 1.2749 9.0240 9.0240 11.1234 11.1234 11.1273 11.1273 k = 0.5000 0.5000 0.3302 ( 780 PWs) bands (ev): -7.8564 -7.8564 -0.0842 -0.0842 -0.0291 -0.0291 1.1775 1.1775 9.0899 9.0899 11.0039 11.0039 11.0075 11.0075 k = 0.5000 0.5000 0.3396 ( 780 PWs) bands (ev): -7.8257 -7.8257 -0.0567 -0.0567 -0.0013 -0.0013 1.0838 1.0838 9.1559 9.1559 10.8898 10.8898 10.8931 10.8931 k = 0.5000 0.5000 0.3491 ( 780 PWs) bands (ev): -7.7958 -7.7958 -0.0299 -0.0299 0.0259 0.0259 0.9940 0.9940 9.2216 9.2216 10.7812 10.7812 10.7842 10.7842 k = 0.5000 0.5000 0.3585 ( 780 PWs) bands (ev): -7.7667 -7.7667 -0.0040 -0.0040 0.0522 0.0522 0.9083 0.9083 9.2868 9.2868 10.6782 10.6782 10.6811 10.6811 k = 0.5000 0.5000 0.3679 ( 780 PWs) bands (ev): -7.7387 -7.7387 0.0209 0.0209 0.0776 0.0776 0.8271 0.8271 9.3510 9.3510 10.5812 10.5812 10.5837 10.5837 k = 0.5000 0.5000 0.3774 ( 780 PWs) bands (ev): -7.7118 -7.7118 0.0446 0.0446 0.1019 0.1019 0.7505 0.7505 9.4140 9.4140 10.4900 10.4900 10.4924 10.4924 k = 0.5000 0.5000 0.3868 ( 780 PWs) bands (ev): -7.6862 -7.6862 0.0671 0.0671 0.1249 0.1249 0.6787 0.6787 9.4754 9.4754 10.4050 10.4050 10.4071 10.4071 k = 0.5000 0.5000 0.3962 ( 780 PWs) bands (ev): -7.6620 -7.6620 0.0882 0.0882 0.1466 0.1466 0.6119 0.6119 9.5346 9.5346 10.3263 10.3263 10.3281 10.3281 k = 0.5000 0.5000 0.4057 ( 780 PWs) bands (ev): -7.6394 -7.6394 0.1078 0.1078 0.1669 0.1669 0.5504 0.5504 9.5912 9.5912 10.2538 10.2538 10.2555 10.2555 k = 0.5000 0.5000 0.4151 ( 780 PWs) bands (ev): -7.6184 -7.6184 0.1256 0.1256 0.1857 0.1857 0.4944 0.4944 9.6447 9.6447 10.1879 10.1879 10.1894 10.1894 k = 0.5000 0.5000 0.4245 ( 780 PWs) bands (ev): -7.5993 -7.5993 0.1415 0.1415 0.2027 0.2027 0.4441 0.4441 9.6946 9.6946 10.1286 10.1286 10.1299 10.1299 k = 0.5000 0.5000 0.4340 ( 780 PWs) bands (ev): -7.5821 -7.5821 0.1553 0.1553 0.2180 0.2180 0.3999 0.3999 9.7404 9.7404 10.0760 10.0760 10.0772 10.0772 k = 0.5000 0.5000 0.4434 ( 780 PWs) bands (ev): -7.5670 -7.5670 0.1668 0.1668 0.2315 0.2315 0.3619 0.3619 9.7814 9.7814 10.0302 10.0302 10.0312 10.0312 k = 0.5000 0.5000 0.4528 ( 780 PWs) bands (ev): -7.5540 -7.5540 0.1757 0.1757 0.2431 0.2431 0.3305 0.3305 9.8172 9.8172 9.9913 9.9913 9.9922 9.9922 k = 0.5000 0.5000 0.4623 ( 780 PWs) bands (ev): -7.5433 -7.5433 0.1817 0.1817 0.2526 0.2526 0.3060 0.3060 9.8473 9.8473 9.9594 9.9594 9.9602 9.9602 k = 0.5000 0.5000 0.4717 ( 780 PWs) bands (ev): -7.5349 -7.5349 0.1848 0.1848 0.2601 0.2601 0.2885 0.2885 9.8712 9.8712 9.9345 9.9345 9.9352 9.9352 k = 0.5000 0.5000 0.4811 ( 796 PWs) bands (ev): -7.5288 -7.5288 0.1856 0.1856 0.2654 0.2654 0.2774 0.2774 9.8886 9.8886 9.9166 9.9166 9.9173 9.9173 k = 0.5000 0.5000 0.4906 ( 796 PWs) bands (ev): -7.5252 -7.5252 0.1853 0.1853 0.2687 0.2687 0.2715 0.2715 9.8991 9.8991 9.9059 9.9059 9.9066 9.9066 k = 0.5000 0.5000 0.5000 ( 840 PWs) bands (ev): -7.5240 -7.5240 0.1850 0.1850 0.2697 0.2697 0.2697 0.2697 9.9023 9.9023 9.9023 9.9023 9.9032 9.9032 Writing output data file S.save init_run : 0.32s CPU 0.41s WALL ( 1 calls) electrons : 18.94s CPU 19.55s 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 : 18.94s CPU 19.54s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 404 calls) cegterg : 17.45s CPU 17.86s WALL ( 431 calls) Called by sum_band: Called by *egterg: h_psi : 7.02s CPU 7.08s WALL ( 6653 calls) s_psi : 0.23s CPU 0.26s WALL ( 6653 calls) g_psi : 0.01s CPU 0.02s WALL ( 5818 calls) cdiaghg : 9.68s CPU 9.84s WALL ( 6222 calls) cegterg:over : 0.54s CPU 0.57s WALL ( 5818 calls) cegterg:upda : 0.38s CPU 0.41s WALL ( 5818 calls) cegterg:last : 0.15s CPU 0.21s WALL ( 1251 calls) cdiaghg:chol : 0.54s CPU 0.58s WALL ( 6222 calls) cdiaghg:inve : 0.10s CPU 0.14s WALL ( 6222 calls) cdiaghg:para : 0.66s CPU 0.76s WALL ( 12444 calls) Called by h_psi: h_psi:vloc : 6.36s CPU 6.41s WALL ( 6653 calls) h_psi:vnl : 0.65s CPU 0.65s WALL ( 6653 calls) add_vuspsi : 0.34s CPU 0.32s WALL ( 6653 calls) General routines calbec : 0.29s CPU 0.32s WALL ( 6653 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 6.07s CPU 6.10s WALL ( 223936 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.04s CPU 0.08s WALL ( 808 calls) Parallel routines fft_scatter : 3.83s CPU 3.79s WALL ( 223959 calls) PWSCF : 23.55s CPU 40.53s WALL This run was terminated on: 21:16:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=