Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:14:42 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: ./Ca.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 9 3 252 134 27 Max 15 10 4 259 148 32 Sum 529 357 121 9171 5041 1021 bravais-lattice index = 14 lattice parameter (alat) = 4.9416 a.u. unit-cell volume = 120.6734 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.941633 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Ca 10.00 40.07800 Ca( 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= 464 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 2) = ( 0.0000000 0.0081967 -0.0000000), wk = 0.0021552 k( 3) = ( 0.0000000 0.0163934 -0.0000000), wk = 0.0021552 k( 4) = ( 0.0000000 0.0245902 -0.0000000), wk = 0.0021552 k( 5) = ( 0.0000000 0.0327869 -0.0000000), wk = 0.0021552 k( 6) = ( 0.0000000 0.0409836 -0.0000000), wk = 0.0021552 k( 7) = ( 0.0000000 0.0491803 -0.0000000), wk = 0.0021552 k( 8) = ( 0.0000000 0.0573770 -0.0000000), wk = 0.0021552 k( 9) = ( 0.0000000 0.0655738 -0.0000000), wk = 0.0021552 k( 10) = ( 0.0000000 0.0737705 -0.0000000), wk = 0.0021552 k( 11) = ( 0.0000000 0.0819672 -0.0000000), wk = 0.0021552 k( 12) = ( 0.0000000 0.0901639 -0.0000000), wk = 0.0021552 k( 13) = ( 0.0000000 0.0983607 -0.0000000), wk = 0.0021552 k( 14) = ( 0.0000000 0.1065574 -0.0000000), wk = 0.0021552 k( 15) = ( 0.0000000 0.1147541 -0.0000000), wk = 0.0021552 k( 16) = ( 0.0000000 0.1229508 -0.0000000), wk = 0.0021552 k( 17) = ( 0.0000000 0.1311475 -0.0000000), wk = 0.0021552 k( 18) = ( 0.0000000 0.1393443 -0.0000000), wk = 0.0021552 k( 19) = ( 0.0000000 0.1475410 -0.0000000), wk = 0.0021552 k( 20) = ( 0.0000000 0.1557377 -0.0000000), wk = 0.0021552 k( 21) = ( 0.0000000 0.1639344 -0.0000000), wk = 0.0021552 k( 22) = ( 0.0000000 0.1721312 -0.0000000), wk = 0.0021552 k( 23) = ( 0.0000000 0.1803279 -0.0000000), wk = 0.0021552 k( 24) = ( 0.0000000 0.1885246 -0.0000000), wk = 0.0021552 k( 25) = ( 0.0000000 0.1967213 -0.0000000), wk = 0.0021552 k( 26) = ( 0.0000000 0.2049180 -0.0000000), wk = 0.0021552 k( 27) = ( 0.0000000 0.2131147 -0.0000000), wk = 0.0021552 k( 28) = ( 0.0000000 0.2213115 -0.0000000), wk = 0.0021552 k( 29) = ( 0.0000000 0.2295082 -0.0000000), wk = 0.0021552 k( 30) = ( 0.0000000 0.2377049 -0.0000000), wk = 0.0021552 k( 31) = ( 0.0000000 0.2459016 -0.0000000), wk = 0.0021552 k( 32) = ( 0.0000000 0.2540984 -0.0000000), wk = 0.0021552 k( 33) = ( 0.0000000 0.2622951 -0.0000000), wk = 0.0021552 k( 34) = ( 0.0000000 0.2704918 -0.0000000), wk = 0.0021552 k( 35) = ( 0.0000000 0.2786885 -0.0000000), wk = 0.0021552 k( 36) = ( 0.0000000 0.2868852 -0.0000000), wk = 0.0021552 k( 37) = ( 0.0000000 0.2950820 -0.0000000), wk = 0.0021552 k( 38) = ( 0.0000000 0.3032787 -0.0000000), wk = 0.0021552 k( 39) = ( 0.0000000 0.3114754 -0.0000000), wk = 0.0021552 k( 40) = ( 0.0000000 0.3196721 -0.0000000), wk = 0.0021552 k( 41) = ( 0.0000000 0.3278688 -0.0000000), wk = 0.0021552 k( 42) = ( 0.0000000 0.3360656 -0.0000000), wk = 0.0021552 k( 43) = ( 0.0000000 0.3442623 -0.0000000), wk = 0.0021552 k( 44) = ( 0.0000000 0.3524590 -0.0000000), wk = 0.0021552 k( 45) = ( 0.0000000 0.3606557 -0.0000000), wk = 0.0021552 k( 46) = ( 0.0000000 0.3688525 -0.0000000), wk = 0.0021552 k( 47) = ( 0.0000000 0.3770492 -0.0000000), wk = 0.0021552 k( 48) = ( 0.0000000 0.3852459 -0.0000000), wk = 0.0021552 k( 49) = ( 0.0000000 0.3934426 -0.0000000), wk = 0.0021552 k( 50) = ( 0.0000000 0.4016393 -0.0000000), wk = 0.0021552 k( 51) = ( 0.0000000 0.4098361 -0.0000000), wk = 0.0021552 k( 52) = ( 0.0000000 0.4180328 -0.0000000), wk = 0.0021552 k( 53) = ( 0.0000000 0.4262295 -0.0000000), wk = 0.0021552 k( 54) = ( 0.0000000 0.4344262 -0.0000000), wk = 0.0021552 k( 55) = ( 0.0000000 0.4426230 -0.0000000), wk = 0.0021552 k( 56) = ( 0.0000000 0.4508197 -0.0000000), wk = 0.0021552 k( 57) = ( 0.0000000 0.4590164 -0.0000000), wk = 0.0021552 k( 58) = ( 0.0000000 0.4672131 -0.0000000), wk = 0.0021552 k( 59) = ( 0.0000000 0.4754098 -0.0000000), wk = 0.0021552 k( 60) = ( 0.0000000 0.4836066 -0.0000000), wk = 0.0021552 k( 61) = ( 0.0000000 0.4918033 -0.0000000), wk = 0.0021552 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021552 k( 63) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021552 k( 64) = ( 0.0081967 0.5000000 -0.0000000), wk = 0.0021552 k( 65) = ( 0.0163934 0.5000000 -0.0000000), wk = 0.0021552 k( 66) = ( 0.0245902 0.5000000 -0.0000000), wk = 0.0021552 k( 67) = ( 0.0327869 0.5000000 -0.0000000), wk = 0.0021552 k( 68) = ( 0.0409836 0.5000000 -0.0000000), wk = 0.0021552 k( 69) = ( 0.0491803 0.5000000 -0.0000000), wk = 0.0021552 k( 70) = ( 0.0573770 0.5000000 -0.0000000), wk = 0.0021552 k( 71) = ( 0.0655738 0.5000000 -0.0000000), wk = 0.0021552 k( 72) = ( 0.0737705 0.5000000 -0.0000000), wk = 0.0021552 k( 73) = ( 0.0819672 0.5000000 -0.0000000), wk = 0.0021552 k( 74) = ( 0.0901639 0.5000000 -0.0000000), wk = 0.0021552 k( 75) = ( 0.0983607 0.5000000 -0.0000000), wk = 0.0021552 k( 76) = ( 0.1065574 0.5000000 -0.0000000), wk = 0.0021552 k( 77) = ( 0.1147541 0.5000000 -0.0000000), wk = 0.0021552 k( 78) = ( 0.1229508 0.5000000 -0.0000000), wk = 0.0021552 k( 79) = ( 0.1311475 0.5000000 -0.0000000), wk = 0.0021552 k( 80) = ( 0.1393443 0.5000000 -0.0000000), wk = 0.0021552 k( 81) = ( 0.1475410 0.5000000 -0.0000000), wk = 0.0021552 k( 82) = ( 0.1557377 0.5000000 -0.0000000), wk = 0.0021552 k( 83) = ( 0.1639344 0.5000000 -0.0000000), wk = 0.0021552 k( 84) = ( 0.1721312 0.5000000 -0.0000000), wk = 0.0021552 k( 85) = ( 0.1803279 0.5000000 -0.0000000), wk = 0.0021552 k( 86) = ( 0.1885246 0.5000000 -0.0000000), wk = 0.0021552 k( 87) = ( 0.1967213 0.5000000 -0.0000000), wk = 0.0021552 k( 88) = ( 0.2049180 0.5000000 -0.0000000), wk = 0.0021552 k( 89) = ( 0.2131147 0.5000000 -0.0000000), wk = 0.0021552 k( 90) = ( 0.2213115 0.5000000 -0.0000000), wk = 0.0021552 k( 91) = ( 0.2295082 0.5000000 -0.0000000), wk = 0.0021552 k( 92) = ( 0.2377049 0.5000000 -0.0000000), wk = 0.0021552 k( 93) = ( 0.2459016 0.5000000 -0.0000000), wk = 0.0021552 k( 94) = ( 0.2540984 0.5000000 -0.0000000), wk = 0.0021552 k( 95) = ( 0.2622951 0.5000000 -0.0000000), wk = 0.0021552 k( 96) = ( 0.2704918 0.5000000 -0.0000000), wk = 0.0021552 k( 97) = ( 0.2786885 0.5000000 -0.0000000), wk = 0.0021552 k( 98) = ( 0.2868852 0.5000000 -0.0000000), wk = 0.0021552 k( 99) = ( 0.2950820 0.5000000 -0.0000000), wk = 0.0021552 k( 100) = ( 0.3032787 0.5000000 -0.0000000), wk = 0.0021552 k( 101) = ( 0.3114754 0.5000000 -0.0000000), wk = 0.0021552 k( 102) = ( 0.3196721 0.5000000 -0.0000000), wk = 0.0021552 k( 103) = ( 0.3278688 0.5000000 -0.0000000), wk = 0.0021552 k( 104) = ( 0.3360656 0.5000000 -0.0000000), wk = 0.0021552 k( 105) = ( 0.3442623 0.5000000 -0.0000000), wk = 0.0021552 k( 106) = ( 0.3524590 0.5000000 -0.0000000), wk = 0.0021552 k( 107) = ( 0.3606557 0.5000000 -0.0000000), wk = 0.0021552 k( 108) = ( 0.3688525 0.5000000 -0.0000000), wk = 0.0021552 k( 109) = ( 0.3770492 0.5000000 -0.0000000), wk = 0.0021552 k( 110) = ( 0.3852459 0.5000000 -0.0000000), wk = 0.0021552 k( 111) = ( 0.3934426 0.5000000 -0.0000000), wk = 0.0021552 k( 112) = ( 0.4016393 0.5000000 -0.0000000), wk = 0.0021552 k( 113) = ( 0.4098361 0.5000000 -0.0000000), wk = 0.0021552 k( 114) = ( 0.4180328 0.5000000 -0.0000000), wk = 0.0021552 k( 115) = ( 0.4262295 0.5000000 -0.0000000), wk = 0.0021552 k( 116) = ( 0.4344262 0.5000000 -0.0000000), wk = 0.0021552 k( 117) = ( 0.4426230 0.5000000 -0.0000000), wk = 0.0021552 k( 118) = ( 0.4508197 0.5000000 -0.0000000), wk = 0.0021552 k( 119) = ( 0.4590164 0.5000000 -0.0000000), wk = 0.0021552 k( 120) = ( 0.4672131 0.5000000 -0.0000000), wk = 0.0021552 k( 121) = ( 0.4754098 0.5000000 -0.0000000), wk = 0.0021552 k( 122) = ( 0.4836066 0.5000000 -0.0000000), wk = 0.0021552 k( 123) = ( 0.4918033 0.5000000 -0.0000000), wk = 0.0021552 k( 124) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021552 k( 125) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021552 k( 126) = ( 0.4941177 0.4941176 -0.0000000), wk = 0.0021552 k( 127) = ( 0.4882353 0.4882353 -0.0000000), wk = 0.0021552 k( 128) = ( 0.4823529 0.4823529 -0.0000000), wk = 0.0021552 k( 129) = ( 0.4764706 0.4764706 -0.0000000), wk = 0.0021552 k( 130) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0021552 k( 131) = ( 0.4647059 0.4647059 -0.0000000), wk = 0.0021552 k( 132) = ( 0.4588235 0.4588235 -0.0000000), wk = 0.0021552 k( 133) = ( 0.4529412 0.4529412 -0.0000000), wk = 0.0021552 k( 134) = ( 0.4470588 0.4470588 -0.0000000), wk = 0.0021552 k( 135) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0021552 k( 136) = ( 0.4352941 0.4352941 -0.0000000), wk = 0.0021552 k( 137) = ( 0.4294118 0.4294118 -0.0000000), wk = 0.0021552 k( 138) = ( 0.4235294 0.4235294 -0.0000000), wk = 0.0021552 k( 139) = ( 0.4176471 0.4176471 -0.0000000), wk = 0.0021552 k( 140) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0021552 k( 141) = ( 0.4058824 0.4058823 -0.0000000), wk = 0.0021552 k( 142) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0021552 k( 143) = ( 0.3941176 0.3941176 -0.0000000), wk = 0.0021552 k( 144) = ( 0.3882353 0.3882353 -0.0000000), wk = 0.0021552 k( 145) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0021552 k( 146) = ( 0.3764706 0.3764706 -0.0000000), wk = 0.0021552 k( 147) = ( 0.3705882 0.3705882 -0.0000000), wk = 0.0021552 k( 148) = ( 0.3647059 0.3647059 -0.0000000), wk = 0.0021552 k( 149) = ( 0.3588235 0.3588235 -0.0000000), wk = 0.0021552 k( 150) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0021552 k( 151) = ( 0.3470588 0.3470588 -0.0000000), wk = 0.0021552 k( 152) = ( 0.3411765 0.3411765 -0.0000000), wk = 0.0021552 k( 153) = ( 0.3352941 0.3352941 -0.0000000), wk = 0.0021552 k( 154) = ( 0.3294118 0.3294118 -0.0000000), wk = 0.0021552 k( 155) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0021552 k( 156) = ( 0.3176471 0.3176471 -0.0000000), wk = 0.0021552 k( 157) = ( 0.3117647 0.3117647 -0.0000000), wk = 0.0021552 k( 158) = ( 0.3058824 0.3058823 -0.0000000), wk = 0.0021552 k( 159) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021552 k( 160) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0021552 k( 161) = ( 0.2882353 0.2882353 -0.0000000), wk = 0.0021552 k( 162) = ( 0.2823529 0.2823529 -0.0000000), wk = 0.0021552 k( 163) = ( 0.2764706 0.2764706 -0.0000000), wk = 0.0021552 k( 164) = ( 0.2705882 0.2705882 -0.0000000), wk = 0.0021552 k( 165) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0021552 k( 166) = ( 0.2588235 0.2588235 -0.0000000), wk = 0.0021552 k( 167) = ( 0.2529412 0.2529412 -0.0000000), wk = 0.0021552 k( 168) = ( 0.2470588 0.2470588 -0.0000000), wk = 0.0021552 k( 169) = ( 0.2411765 0.2411765 -0.0000000), wk = 0.0021552 k( 170) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0021552 k( 171) = ( 0.2294118 0.2294118 -0.0000000), wk = 0.0021552 k( 172) = ( 0.2235294 0.2235294 -0.0000000), wk = 0.0021552 k( 173) = ( 0.2176471 0.2176471 -0.0000000), wk = 0.0021552 k( 174) = ( 0.2117647 0.2117647 -0.0000000), wk = 0.0021552 k( 175) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0021552 k( 176) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0021552 k( 177) = ( 0.1941177 0.1941176 -0.0000000), wk = 0.0021552 k( 178) = ( 0.1882353 0.1882353 -0.0000000), wk = 0.0021552 k( 179) = ( 0.1823529 0.1823529 -0.0000000), wk = 0.0021552 k( 180) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0021552 k( 181) = ( 0.1705882 0.1705882 -0.0000000), wk = 0.0021552 k( 182) = ( 0.1647059 0.1647059 -0.0000000), wk = 0.0021552 k( 183) = ( 0.1588235 0.1588235 -0.0000000), wk = 0.0021552 k( 184) = ( 0.1529412 0.1529412 -0.0000000), wk = 0.0021552 k( 185) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0021552 k( 186) = ( 0.1411765 0.1411765 -0.0000000), wk = 0.0021552 k( 187) = ( 0.1352941 0.1352941 -0.0000000), wk = 0.0021552 k( 188) = ( 0.1294118 0.1294118 -0.0000000), wk = 0.0021552 k( 189) = ( 0.1235294 0.1235294 -0.0000000), wk = 0.0021552 k( 190) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0021552 k( 191) = ( 0.1117647 0.1117647 -0.0000000), wk = 0.0021552 k( 192) = ( 0.1058824 0.1058823 -0.0000000), wk = 0.0021552 k( 193) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0021552 k( 194) = ( 0.0941176 0.0941176 -0.0000000), wk = 0.0021552 k( 195) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0021552 k( 196) = ( 0.0823529 0.0823529 -0.0000000), wk = 0.0021552 k( 197) = ( 0.0764706 0.0764706 -0.0000000), wk = 0.0021552 k( 198) = ( 0.0705882 0.0705882 -0.0000000), wk = 0.0021552 k( 199) = ( 0.0647059 0.0647059 -0.0000000), wk = 0.0021552 k( 200) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0021552 k( 201) = ( 0.0529412 0.0529412 -0.0000000), wk = 0.0021552 k( 202) = ( 0.0470588 0.0470588 -0.0000000), wk = 0.0021552 k( 203) = ( 0.0411765 0.0411765 -0.0000000), wk = 0.0021552 k( 204) = ( 0.0352941 0.0352941 -0.0000000), wk = 0.0021552 k( 205) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0021552 k( 206) = ( 0.0235294 0.0235294 -0.0000000), wk = 0.0021552 k( 207) = ( 0.0176471 0.0176471 -0.0000000), wk = 0.0021552 k( 208) = ( 0.0117647 0.0117647 -0.0000000), wk = 0.0021552 k( 209) = ( 0.0058823 0.0058823 -0.0000000), wk = 0.0021552 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 212) = ( 0.0047619 0.0047619 0.0047619), wk = 0.0021552 k( 213) = ( 0.0095238 0.0095238 0.0095238), wk = 0.0021552 k( 214) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0021552 k( 215) = ( 0.0190476 0.0190476 0.0190476), wk = 0.0021552 k( 216) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0021552 k( 217) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0021552 k( 218) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0021552 k( 219) = ( 0.0380952 0.0380952 0.0380952), wk = 0.0021552 k( 220) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0021552 k( 221) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0021552 k( 222) = ( 0.0523810 0.0523809 0.0523809), wk = 0.0021552 k( 223) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0021552 k( 224) = ( 0.0619048 0.0619048 0.0619048), wk = 0.0021552 k( 225) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0021552 k( 226) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0021552 k( 227) = ( 0.0761905 0.0761905 0.0761905), wk = 0.0021552 k( 228) = ( 0.0809524 0.0809524 0.0809524), wk = 0.0021552 k( 229) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0021552 k( 230) = ( 0.0904762 0.0904762 0.0904762), wk = 0.0021552 k( 231) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0021552 k( 232) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0021552 k( 233) = ( 0.1047619 0.1047619 0.1047619), wk = 0.0021552 k( 234) = ( 0.1095238 0.1095238 0.1095238), wk = 0.0021552 k( 235) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0021552 k( 236) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0021552 k( 237) = ( 0.1238095 0.1238095 0.1238095), wk = 0.0021552 k( 238) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0021552 k( 239) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0021552 k( 240) = ( 0.1380952 0.1380952 0.1380952), wk = 0.0021552 k( 241) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0021552 k( 242) = ( 0.1476191 0.1476190 0.1476190), wk = 0.0021552 k( 243) = ( 0.1523809 0.1523809 0.1523809), wk = 0.0021552 k( 244) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0021552 k( 245) = ( 0.1619048 0.1619048 0.1619048), wk = 0.0021552 k( 246) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0021552 k( 247) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0021552 k( 248) = ( 0.1761905 0.1761905 0.1761905), wk = 0.0021552 k( 249) = ( 0.1809524 0.1809524 0.1809524), wk = 0.0021552 k( 250) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0021552 k( 251) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0021552 k( 252) = ( 0.1952381 0.1952381 0.1952381), wk = 0.0021552 k( 253) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0021552 k( 254) = ( 0.2047619 0.2047619 0.2047619), wk = 0.0021552 k( 255) = ( 0.2095238 0.2095238 0.2095238), wk = 0.0021552 k( 256) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0021552 k( 257) = ( 0.2190476 0.2190476 0.2190476), wk = 0.0021552 k( 258) = ( 0.2238095 0.2238095 0.2238095), wk = 0.0021552 k( 259) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0021552 k( 260) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0021552 k( 261) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0021552 k( 262) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0021552 k( 263) = ( 0.2476191 0.2476190 0.2476190), wk = 0.0021552 k( 264) = ( 0.2523809 0.2523809 0.2523809), wk = 0.0021552 k( 265) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0021552 k( 266) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0021552 k( 267) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0021552 k( 268) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0021552 k( 269) = ( 0.2761905 0.2761905 0.2761905), wk = 0.0021552 k( 270) = ( 0.2809524 0.2809524 0.2809524), wk = 0.0021552 k( 271) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0021552 k( 272) = ( 0.2904762 0.2904762 0.2904762), wk = 0.0021552 k( 273) = ( 0.2952381 0.2952381 0.2952381), wk = 0.0021552 k( 274) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0021552 k( 275) = ( 0.3047619 0.3047619 0.3047619), wk = 0.0021552 k( 276) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0021552 k( 277) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0021552 k( 278) = ( 0.3190476 0.3190476 0.3190476), wk = 0.0021552 k( 279) = ( 0.3238095 0.3238095 0.3238095), wk = 0.0021552 k( 280) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0021552 k( 281) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021552 k( 282) = ( 0.3380952 0.3380952 0.3380952), wk = 0.0021552 k( 283) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0021552 k( 284) = ( 0.3476190 0.3476190 0.3476190), wk = 0.0021552 k( 285) = ( 0.3523810 0.3523809 0.3523809), wk = 0.0021552 k( 286) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0021552 k( 287) = ( 0.3619048 0.3619048 0.3619048), wk = 0.0021552 k( 288) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0021552 k( 289) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0021552 k( 290) = ( 0.3761905 0.3761905 0.3761905), wk = 0.0021552 k( 291) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0021552 k( 292) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0021552 k( 293) = ( 0.3904762 0.3904762 0.3904762), wk = 0.0021552 k( 294) = ( 0.3952381 0.3952381 0.3952381), wk = 0.0021552 k( 295) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0021552 k( 296) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0021552 k( 297) = ( 0.4095238 0.4095238 0.4095238), wk = 0.0021552 k( 298) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0021552 k( 299) = ( 0.4190476 0.4190476 0.4190476), wk = 0.0021552 k( 300) = ( 0.4238095 0.4238095 0.4238095), wk = 0.0021552 k( 301) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0021552 k( 302) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0021552 k( 303) = ( 0.4380952 0.4380952 0.4380952), wk = 0.0021552 k( 304) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0021552 k( 305) = ( 0.4476191 0.4476190 0.4476190), wk = 0.0021552 k( 306) = ( 0.4523810 0.4523809 0.4523809), wk = 0.0021552 k( 307) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0021552 k( 308) = ( 0.4619048 0.4619048 0.4619048), wk = 0.0021552 k( 309) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0021552 k( 310) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0021552 k( 311) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0021552 k( 312) = ( 0.4809524 0.4809524 0.4809524), wk = 0.0021552 k( 313) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0021552 k( 314) = ( 0.4904762 0.4904762 0.4904762), wk = 0.0021552 k( 315) = ( 0.4952381 0.4952381 0.4952381), wk = 0.0021552 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 k( 317) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 k( 318) = ( 0.4941177 0.5000000 0.4941176), wk = 0.0021552 k( 319) = ( 0.4882353 0.5000000 0.4882353), wk = 0.0021552 k( 320) = ( 0.4823529 0.5000000 0.4823529), wk = 0.0021552 k( 321) = ( 0.4764706 0.5000000 0.4764706), wk = 0.0021552 k( 322) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0021552 k( 323) = ( 0.4647059 0.5000000 0.4647059), wk = 0.0021552 k( 324) = ( 0.4588235 0.5000000 0.4588235), wk = 0.0021552 k( 325) = ( 0.4529412 0.5000000 0.4529412), wk = 0.0021552 k( 326) = ( 0.4470588 0.5000000 0.4470588), wk = 0.0021552 k( 327) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0021552 k( 328) = ( 0.4352941 0.5000000 0.4352941), wk = 0.0021552 k( 329) = ( 0.4294118 0.5000000 0.4294118), wk = 0.0021552 k( 330) = ( 0.4235294 0.5000000 0.4235294), wk = 0.0021552 k( 331) = ( 0.4176471 0.5000000 0.4176471), wk = 0.0021552 k( 332) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0021552 k( 333) = ( 0.4058824 0.5000000 0.4058823), wk = 0.0021552 k( 334) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0021552 k( 335) = ( 0.3941176 0.5000000 0.3941176), wk = 0.0021552 k( 336) = ( 0.3882353 0.5000000 0.3882353), wk = 0.0021552 k( 337) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0021552 k( 338) = ( 0.3764706 0.5000000 0.3764706), wk = 0.0021552 k( 339) = ( 0.3705882 0.5000000 0.3705882), wk = 0.0021552 k( 340) = ( 0.3647059 0.5000000 0.3647059), wk = 0.0021552 k( 341) = ( 0.3588235 0.5000000 0.3588235), wk = 0.0021552 k( 342) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0021552 k( 343) = ( 0.3470588 0.5000000 0.3470588), wk = 0.0021552 k( 344) = ( 0.3411765 0.5000000 0.3411765), wk = 0.0021552 k( 345) = ( 0.3352941 0.5000000 0.3352941), wk = 0.0021552 k( 346) = ( 0.3294118 0.5000000 0.3294118), wk = 0.0021552 k( 347) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0021552 k( 348) = ( 0.3176471 0.5000000 0.3176471), wk = 0.0021552 k( 349) = ( 0.3117647 0.5000000 0.3117647), wk = 0.0021552 k( 350) = ( 0.3058824 0.5000000 0.3058823), wk = 0.0021552 k( 351) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0021552 k( 352) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0021552 k( 353) = ( 0.2882353 0.5000000 0.2882353), wk = 0.0021552 k( 354) = ( 0.2823529 0.5000000 0.2823529), wk = 0.0021552 k( 355) = ( 0.2764706 0.5000000 0.2764706), wk = 0.0021552 k( 356) = ( 0.2705882 0.5000000 0.2705882), wk = 0.0021552 k( 357) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0021552 k( 358) = ( 0.2588235 0.5000000 0.2588235), wk = 0.0021552 k( 359) = ( 0.2529412 0.5000000 0.2529412), wk = 0.0021552 k( 360) = ( 0.2470588 0.5000000 0.2470588), wk = 0.0021552 k( 361) = ( 0.2411765 0.5000000 0.2411765), wk = 0.0021552 k( 362) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0021552 k( 363) = ( 0.2294118 0.5000000 0.2294118), wk = 0.0021552 k( 364) = ( 0.2235294 0.5000000 0.2235294), wk = 0.0021552 k( 365) = ( 0.2176471 0.5000000 0.2176471), wk = 0.0021552 k( 366) = ( 0.2117647 0.5000000 0.2117647), wk = 0.0021552 k( 367) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0021552 k( 368) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0021552 k( 369) = ( 0.1941177 0.5000000 0.1941176), wk = 0.0021552 k( 370) = ( 0.1882353 0.5000000 0.1882353), wk = 0.0021552 k( 371) = ( 0.1823529 0.5000000 0.1823529), wk = 0.0021552 k( 372) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0021552 k( 373) = ( 0.1705882 0.5000000 0.1705882), wk = 0.0021552 k( 374) = ( 0.1647059 0.5000000 0.1647059), wk = 0.0021552 k( 375) = ( 0.1588235 0.5000000 0.1588235), wk = 0.0021552 k( 376) = ( 0.1529412 0.5000000 0.1529412), wk = 0.0021552 k( 377) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0021552 k( 378) = ( 0.1411765 0.5000000 0.1411765), wk = 0.0021552 k( 379) = ( 0.1352941 0.5000000 0.1352941), wk = 0.0021552 k( 380) = ( 0.1294118 0.5000000 0.1294118), wk = 0.0021552 k( 381) = ( 0.1235294 0.5000000 0.1235294), wk = 0.0021552 k( 382) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0021552 k( 383) = ( 0.1117647 0.5000000 0.1117647), wk = 0.0021552 k( 384) = ( 0.1058824 0.5000000 0.1058823), wk = 0.0021552 k( 385) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0021552 k( 386) = ( 0.0941176 0.5000000 0.0941176), wk = 0.0021552 k( 387) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0021552 k( 388) = ( 0.0823529 0.5000000 0.0823529), wk = 0.0021552 k( 389) = ( 0.0764706 0.5000000 0.0764706), wk = 0.0021552 k( 390) = ( 0.0705882 0.5000000 0.0705882), wk = 0.0021552 k( 391) = ( 0.0647059 0.5000000 0.0647059), wk = 0.0021552 k( 392) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0021552 k( 393) = ( 0.0529412 0.5000000 0.0529412), wk = 0.0021552 k( 394) = ( 0.0470588 0.5000000 0.0470588), wk = 0.0021552 k( 395) = ( 0.0411765 0.5000000 0.0411765), wk = 0.0021552 k( 396) = ( 0.0352941 0.5000000 0.0352941), wk = 0.0021552 k( 397) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0021552 k( 398) = ( 0.0235294 0.5000000 0.0235294), wk = 0.0021552 k( 399) = ( 0.0176471 0.5000000 0.0176471), wk = 0.0021552 k( 400) = ( 0.0117647 0.5000000 0.0117647), wk = 0.0021552 k( 401) = ( 0.0058823 0.5000000 0.0058823), wk = 0.0021552 k( 402) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021552 k( 403) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021552 k( 404) = ( 0.5000000 0.5000000 0.0081967), wk = 0.0021552 k( 405) = ( 0.5000000 0.5000000 0.0163934), wk = 0.0021552 k( 406) = ( 0.5000000 0.5000000 0.0245902), wk = 0.0021552 k( 407) = ( 0.5000000 0.5000000 0.0327869), wk = 0.0021552 k( 408) = ( 0.5000000 0.5000000 0.0409836), wk = 0.0021552 k( 409) = ( 0.5000000 0.5000000 0.0491803), wk = 0.0021552 k( 410) = ( 0.5000000 0.5000000 0.0573770), wk = 0.0021552 k( 411) = ( 0.5000000 0.5000000 0.0655738), wk = 0.0021552 k( 412) = ( 0.5000000 0.5000000 0.0737705), wk = 0.0021552 k( 413) = ( 0.5000000 0.5000000 0.0819672), wk = 0.0021552 k( 414) = ( 0.5000000 0.5000000 0.0901639), wk = 0.0021552 k( 415) = ( 0.5000000 0.5000000 0.0983607), wk = 0.0021552 k( 416) = ( 0.5000000 0.5000000 0.1065574), wk = 0.0021552 k( 417) = ( 0.5000000 0.5000000 0.1147541), wk = 0.0021552 k( 418) = ( 0.5000000 0.5000000 0.1229508), wk = 0.0021552 k( 419) = ( 0.5000000 0.5000000 0.1311475), wk = 0.0021552 k( 420) = ( 0.5000000 0.5000000 0.1393443), wk = 0.0021552 k( 421) = ( 0.5000000 0.5000000 0.1475410), wk = 0.0021552 k( 422) = ( 0.5000000 0.5000000 0.1557377), wk = 0.0021552 k( 423) = ( 0.5000000 0.5000000 0.1639344), wk = 0.0021552 k( 424) = ( 0.5000000 0.5000000 0.1721311), wk = 0.0021552 k( 425) = ( 0.5000000 0.5000000 0.1803279), wk = 0.0021552 k( 426) = ( 0.5000000 0.5000000 0.1885246), wk = 0.0021552 k( 427) = ( 0.5000000 0.5000000 0.1967213), wk = 0.0021552 k( 428) = ( 0.5000000 0.5000000 0.2049180), wk = 0.0021552 k( 429) = ( 0.5000000 0.5000000 0.2131147), wk = 0.0021552 k( 430) = ( 0.5000000 0.5000000 0.2213115), wk = 0.0021552 k( 431) = ( 0.5000000 0.5000000 0.2295082), wk = 0.0021552 k( 432) = ( 0.5000000 0.5000000 0.2377049), wk = 0.0021552 k( 433) = ( 0.5000000 0.5000000 0.2459016), wk = 0.0021552 k( 434) = ( 0.5000000 0.5000000 0.2540984), wk = 0.0021552 k( 435) = ( 0.5000000 0.5000000 0.2622951), wk = 0.0021552 k( 436) = ( 0.5000000 0.5000000 0.2704918), wk = 0.0021552 k( 437) = ( 0.5000000 0.5000000 0.2786885), wk = 0.0021552 k( 438) = ( 0.5000000 0.5000000 0.2868852), wk = 0.0021552 k( 439) = ( 0.5000000 0.5000000 0.2950820), wk = 0.0021552 k( 440) = ( 0.5000000 0.5000000 0.3032787), wk = 0.0021552 k( 441) = ( 0.5000000 0.5000000 0.3114754), wk = 0.0021552 k( 442) = ( 0.5000000 0.5000000 0.3196721), wk = 0.0021552 k( 443) = ( 0.5000000 0.5000000 0.3278688), wk = 0.0021552 k( 444) = ( 0.5000000 0.5000000 0.3360656), wk = 0.0021552 k( 445) = ( 0.5000000 0.5000000 0.3442623), wk = 0.0021552 k( 446) = ( 0.5000000 0.5000000 0.3524590), wk = 0.0021552 k( 447) = ( 0.5000000 0.5000000 0.3606557), wk = 0.0021552 k( 448) = ( 0.5000000 0.5000000 0.3688525), wk = 0.0021552 k( 449) = ( 0.5000000 0.5000000 0.3770492), wk = 0.0021552 k( 450) = ( 0.5000000 0.5000000 0.3852459), wk = 0.0021552 k( 451) = ( 0.5000000 0.5000000 0.3934426), wk = 0.0021552 k( 452) = ( 0.5000000 0.5000000 0.4016393), wk = 0.0021552 k( 453) = ( 0.5000000 0.5000000 0.4098361), wk = 0.0021552 k( 454) = ( 0.5000000 0.5000000 0.4180328), wk = 0.0021552 k( 455) = ( 0.5000000 0.5000000 0.4262295), wk = 0.0021552 k( 456) = ( 0.5000000 0.5000000 0.4344262), wk = 0.0021552 k( 457) = ( 0.5000000 0.5000000 0.4426229), wk = 0.0021552 k( 458) = ( 0.5000000 0.5000000 0.4508197), wk = 0.0021552 k( 459) = ( 0.5000000 0.5000000 0.4590164), wk = 0.0021552 k( 460) = ( 0.5000000 0.5000000 0.4672131), wk = 0.0021552 k( 461) = ( 0.5000000 0.5000000 0.4754098), wk = 0.0021552 k( 462) = ( 0.5000000 0.5000000 0.4836066), wk = 0.0021552 k( 463) = ( 0.5000000 0.5000000 0.4918033), wk = 0.0021552 k( 464) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 2) = ( 0.0000000 0.0081967 0.0000000), wk = 0.0021552 k( 3) = ( 0.0000000 0.0163934 0.0000000), wk = 0.0021552 k( 4) = ( 0.0000000 0.0245902 0.0000000), wk = 0.0021552 k( 5) = ( 0.0000000 0.0327869 0.0000000), wk = 0.0021552 k( 6) = ( 0.0000000 0.0409836 0.0000000), wk = 0.0021552 k( 7) = ( 0.0000000 0.0491803 0.0000000), wk = 0.0021552 k( 8) = ( 0.0000000 0.0573770 0.0000000), wk = 0.0021552 k( 9) = ( 0.0000000 0.0655738 0.0000000), wk = 0.0021552 k( 10) = ( 0.0000000 0.0737705 0.0000000), wk = 0.0021552 k( 11) = ( 0.0000000 0.0819672 0.0000000), wk = 0.0021552 k( 12) = ( 0.0000000 0.0901639 0.0000000), wk = 0.0021552 k( 13) = ( 0.0000000 0.0983607 0.0000000), wk = 0.0021552 k( 14) = ( 0.0000000 0.1065574 0.0000000), wk = 0.0021552 k( 15) = ( 0.0000000 0.1147541 0.0000000), wk = 0.0021552 k( 16) = ( 0.0000000 0.1229508 0.0000000), wk = 0.0021552 k( 17) = ( 0.0000000 0.1311475 0.0000000), wk = 0.0021552 k( 18) = ( 0.0000000 0.1393443 0.0000000), wk = 0.0021552 k( 19) = ( 0.0000000 0.1475410 0.0000000), wk = 0.0021552 k( 20) = ( 0.0000000 0.1557377 0.0000000), wk = 0.0021552 k( 21) = ( 0.0000000 0.1639344 0.0000000), wk = 0.0021552 k( 22) = ( 0.0000000 0.1721312 0.0000000), wk = 0.0021552 k( 23) = ( 0.0000000 0.1803279 0.0000000), wk = 0.0021552 k( 24) = ( 0.0000000 0.1885246 0.0000000), wk = 0.0021552 k( 25) = ( 0.0000000 0.1967213 0.0000000), wk = 0.0021552 k( 26) = ( 0.0000000 0.2049180 0.0000000), wk = 0.0021552 k( 27) = ( 0.0000000 0.2131147 0.0000000), wk = 0.0021552 k( 28) = ( 0.0000000 0.2213115 0.0000000), wk = 0.0021552 k( 29) = ( 0.0000000 0.2295082 0.0000000), wk = 0.0021552 k( 30) = ( 0.0000000 0.2377049 0.0000000), wk = 0.0021552 k( 31) = ( 0.0000000 0.2459016 0.0000000), wk = 0.0021552 k( 32) = ( 0.0000000 0.2540984 0.0000000), wk = 0.0021552 k( 33) = ( 0.0000000 0.2622951 0.0000000), wk = 0.0021552 k( 34) = ( 0.0000000 0.2704918 0.0000000), wk = 0.0021552 k( 35) = ( 0.0000000 0.2786885 0.0000000), wk = 0.0021552 k( 36) = ( 0.0000000 0.2868852 0.0000000), wk = 0.0021552 k( 37) = ( 0.0000000 0.2950820 0.0000000), wk = 0.0021552 k( 38) = ( 0.0000000 0.3032787 0.0000000), wk = 0.0021552 k( 39) = ( 0.0000000 0.3114754 0.0000000), wk = 0.0021552 k( 40) = ( 0.0000000 0.3196721 0.0000000), wk = 0.0021552 k( 41) = ( 0.0000000 0.3278688 0.0000000), wk = 0.0021552 k( 42) = ( 0.0000000 0.3360656 0.0000000), wk = 0.0021552 k( 43) = ( 0.0000000 0.3442623 0.0000000), wk = 0.0021552 k( 44) = ( 0.0000000 0.3524590 0.0000000), wk = 0.0021552 k( 45) = ( 0.0000000 0.3606557 0.0000000), wk = 0.0021552 k( 46) = ( 0.0000000 0.3688525 0.0000000), wk = 0.0021552 k( 47) = ( 0.0000000 0.3770492 0.0000000), wk = 0.0021552 k( 48) = ( 0.0000000 0.3852459 0.0000000), wk = 0.0021552 k( 49) = ( 0.0000000 0.3934426 0.0000000), wk = 0.0021552 k( 50) = ( 0.0000000 0.4016393 0.0000000), wk = 0.0021552 k( 51) = ( 0.0000000 0.4098361 0.0000000), wk = 0.0021552 k( 52) = ( 0.0000000 0.4180328 0.0000000), wk = 0.0021552 k( 53) = ( 0.0000000 0.4262295 0.0000000), wk = 0.0021552 k( 54) = ( 0.0000000 0.4344262 0.0000000), wk = 0.0021552 k( 55) = ( 0.0000000 0.4426230 0.0000000), wk = 0.0021552 k( 56) = ( 0.0000000 0.4508197 0.0000000), wk = 0.0021552 k( 57) = ( 0.0000000 0.4590164 0.0000000), wk = 0.0021552 k( 58) = ( 0.0000000 0.4672131 0.0000000), wk = 0.0021552 k( 59) = ( 0.0000000 0.4754098 0.0000000), wk = 0.0021552 k( 60) = ( 0.0000000 0.4836066 0.0000000), wk = 0.0021552 k( 61) = ( 0.0000000 0.4918033 0.0000000), wk = 0.0021552 k( 62) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 64) = ( 0.0081967 0.5000000 0.0000000), wk = 0.0021552 k( 65) = ( 0.0163934 0.5000000 0.0000000), wk = 0.0021552 k( 66) = ( 0.0245902 0.5000000 0.0000000), wk = 0.0021552 k( 67) = ( 0.0327869 0.5000000 0.0000000), wk = 0.0021552 k( 68) = ( 0.0409836 0.5000000 0.0000000), wk = 0.0021552 k( 69) = ( 0.0491803 0.5000000 0.0000000), wk = 0.0021552 k( 70) = ( 0.0573770 0.5000000 0.0000000), wk = 0.0021552 k( 71) = ( 0.0655738 0.5000000 0.0000000), wk = 0.0021552 k( 72) = ( 0.0737705 0.5000000 0.0000000), wk = 0.0021552 k( 73) = ( 0.0819672 0.5000000 0.0000000), wk = 0.0021552 k( 74) = ( 0.0901639 0.5000000 0.0000000), wk = 0.0021552 k( 75) = ( 0.0983607 0.5000000 0.0000000), wk = 0.0021552 k( 76) = ( 0.1065574 0.5000000 0.0000000), wk = 0.0021552 k( 77) = ( 0.1147541 0.5000000 0.0000000), wk = 0.0021552 k( 78) = ( 0.1229508 0.5000000 0.0000000), wk = 0.0021552 k( 79) = ( 0.1311475 0.5000000 0.0000000), wk = 0.0021552 k( 80) = ( 0.1393443 0.5000000 0.0000000), wk = 0.0021552 k( 81) = ( 0.1475410 0.5000000 0.0000000), wk = 0.0021552 k( 82) = ( 0.1557377 0.5000000 0.0000000), wk = 0.0021552 k( 83) = ( 0.1639344 0.5000000 0.0000000), wk = 0.0021552 k( 84) = ( 0.1721312 0.5000000 0.0000000), wk = 0.0021552 k( 85) = ( 0.1803279 0.5000000 0.0000000), wk = 0.0021552 k( 86) = ( 0.1885246 0.5000000 0.0000000), wk = 0.0021552 k( 87) = ( 0.1967213 0.5000000 0.0000000), wk = 0.0021552 k( 88) = ( 0.2049180 0.5000000 0.0000000), wk = 0.0021552 k( 89) = ( 0.2131147 0.5000000 0.0000000), wk = 0.0021552 k( 90) = ( 0.2213115 0.5000000 0.0000000), wk = 0.0021552 k( 91) = ( 0.2295082 0.5000000 0.0000000), wk = 0.0021552 k( 92) = ( 0.2377049 0.5000000 0.0000000), wk = 0.0021552 k( 93) = ( 0.2459016 0.5000000 0.0000000), wk = 0.0021552 k( 94) = ( 0.2540984 0.5000000 0.0000000), wk = 0.0021552 k( 95) = ( 0.2622951 0.5000000 0.0000000), wk = 0.0021552 k( 96) = ( 0.2704918 0.5000000 0.0000000), wk = 0.0021552 k( 97) = ( 0.2786885 0.5000000 0.0000000), wk = 0.0021552 k( 98) = ( 0.2868852 0.5000000 -0.0000000), wk = 0.0021552 k( 99) = ( 0.2950820 0.5000000 -0.0000000), wk = 0.0021552 k( 100) = ( 0.3032787 0.5000000 0.0000000), wk = 0.0021552 k( 101) = ( 0.3114754 0.5000000 0.0000000), wk = 0.0021552 k( 102) = ( 0.3196721 0.5000000 0.0000000), wk = 0.0021552 k( 103) = ( 0.3278688 0.5000000 0.0000000), wk = 0.0021552 k( 104) = ( 0.3360656 0.5000000 -0.0000000), wk = 0.0021552 k( 105) = ( 0.3442623 0.5000000 0.0000000), wk = 0.0021552 k( 106) = ( 0.3524590 0.5000000 0.0000000), wk = 0.0021552 k( 107) = ( 0.3606557 0.5000000 -0.0000000), wk = 0.0021552 k( 108) = ( 0.3688525 0.5000000 0.0000000), wk = 0.0021552 k( 109) = ( 0.3770492 0.5000000 0.0000000), wk = 0.0021552 k( 110) = ( 0.3852459 0.5000000 0.0000000), wk = 0.0021552 k( 111) = ( 0.3934426 0.5000000 0.0000000), wk = 0.0021552 k( 112) = ( 0.4016393 0.5000000 0.0000000), wk = 0.0021552 k( 113) = ( 0.4098361 0.5000000 0.0000000), wk = 0.0021552 k( 114) = ( 0.4180328 0.5000000 0.0000000), wk = 0.0021552 k( 115) = ( 0.4262295 0.5000000 0.0000000), wk = 0.0021552 k( 116) = ( 0.4344262 0.5000000 0.0000000), wk = 0.0021552 k( 117) = ( 0.4426230 0.5000000 0.0000000), wk = 0.0021552 k( 118) = ( 0.4508197 0.5000000 0.0000000), wk = 0.0021552 k( 119) = ( 0.4590164 0.5000000 0.0000000), wk = 0.0021552 k( 120) = ( 0.4672131 0.5000000 0.0000000), wk = 0.0021552 k( 121) = ( 0.4754098 0.5000000 0.0000000), wk = 0.0021552 k( 122) = ( 0.4836066 0.5000000 0.0000000), wk = 0.0021552 k( 123) = ( 0.4918033 0.5000000 0.0000000), wk = 0.0021552 k( 124) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 125) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 126) = ( 0.4941177 0.4941177 -0.0000000), wk = 0.0021552 k( 127) = ( 0.4882353 0.4882353 0.0000000), wk = 0.0021552 k( 128) = ( 0.4823529 0.4823529 0.0000000), wk = 0.0021552 k( 129) = ( 0.4764706 0.4764706 0.0000000), wk = 0.0021552 k( 130) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0021552 k( 131) = ( 0.4647059 0.4647059 0.0000000), wk = 0.0021552 k( 132) = ( 0.4588235 0.4588235 0.0000000), wk = 0.0021552 k( 133) = ( 0.4529412 0.4529412 0.0000000), wk = 0.0021552 k( 134) = ( 0.4470588 0.4470588 0.0000000), wk = 0.0021552 k( 135) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0021552 k( 136) = ( 0.4352941 0.4352941 0.0000000), wk = 0.0021552 k( 137) = ( 0.4294118 0.4294118 0.0000000), wk = 0.0021552 k( 138) = ( 0.4235294 0.4235294 0.0000000), wk = 0.0021552 k( 139) = ( 0.4176471 0.4176471 0.0000000), wk = 0.0021552 k( 140) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0021552 k( 141) = ( 0.4058824 0.4058824 0.0000000), wk = 0.0021552 k( 142) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0021552 k( 143) = ( 0.3941176 0.3941176 -0.0000000), wk = 0.0021552 k( 144) = ( 0.3882353 0.3882353 0.0000000), wk = 0.0021552 k( 145) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0021552 k( 146) = ( 0.3764706 0.3764706 0.0000000), wk = 0.0021552 k( 147) = ( 0.3705882 0.3705882 0.0000000), wk = 0.0021552 k( 148) = ( 0.3647059 0.3647059 0.0000000), wk = 0.0021552 k( 149) = ( 0.3588235 0.3588235 0.0000000), wk = 0.0021552 k( 150) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0021552 k( 151) = ( 0.3470588 0.3470588 -0.0000000), wk = 0.0021552 k( 152) = ( 0.3411765 0.3411765 -0.0000000), wk = 0.0021552 k( 153) = ( 0.3352941 0.3352941 -0.0000000), wk = 0.0021552 k( 154) = ( 0.3294118 0.3294118 0.0000000), wk = 0.0021552 k( 155) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0021552 k( 156) = ( 0.3176471 0.3176471 0.0000000), wk = 0.0021552 k( 157) = ( 0.3117647 0.3117647 0.0000000), wk = 0.0021552 k( 158) = ( 0.3058824 0.3058824 0.0000000), wk = 0.0021552 k( 159) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021552 k( 160) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0021552 k( 161) = ( 0.2882353 0.2882353 -0.0000000), wk = 0.0021552 k( 162) = ( 0.2823529 0.2823529 -0.0000000), wk = 0.0021552 k( 163) = ( 0.2764706 0.2764706 0.0000000), wk = 0.0021552 k( 164) = ( 0.2705882 0.2705882 0.0000000), wk = 0.0021552 k( 165) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0021552 k( 166) = ( 0.2588235 0.2588235 0.0000000), wk = 0.0021552 k( 167) = ( 0.2529412 0.2529412 0.0000000), wk = 0.0021552 k( 168) = ( 0.2470588 0.2470588 0.0000000), wk = 0.0021552 k( 169) = ( 0.2411765 0.2411765 0.0000000), wk = 0.0021552 k( 170) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0021552 k( 171) = ( 0.2294118 0.2294118 0.0000000), wk = 0.0021552 k( 172) = ( 0.2235294 0.2235294 0.0000000), wk = 0.0021552 k( 173) = ( 0.2176471 0.2176471 0.0000000), wk = 0.0021552 k( 174) = ( 0.2117647 0.2117647 0.0000000), wk = 0.0021552 k( 175) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0021552 k( 176) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0021552 k( 177) = ( 0.1941177 0.1941177 -0.0000000), wk = 0.0021552 k( 178) = ( 0.1882353 0.1882353 0.0000000), wk = 0.0021552 k( 179) = ( 0.1823529 0.1823529 0.0000000), wk = 0.0021552 k( 180) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0021552 k( 181) = ( 0.1705882 0.1705882 0.0000000), wk = 0.0021552 k( 182) = ( 0.1647059 0.1647059 0.0000000), wk = 0.0021552 k( 183) = ( 0.1588235 0.1588235 0.0000000), wk = 0.0021552 k( 184) = ( 0.1529412 0.1529412 0.0000000), wk = 0.0021552 k( 185) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0021552 k( 186) = ( 0.1411765 0.1411765 -0.0000000), wk = 0.0021552 k( 187) = ( 0.1352941 0.1352941 0.0000000), wk = 0.0021552 k( 188) = ( 0.1294118 0.1294118 0.0000000), wk = 0.0021552 k( 189) = ( 0.1235294 0.1235294 0.0000000), wk = 0.0021552 k( 190) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0021552 k( 191) = ( 0.1117647 0.1117647 0.0000000), wk = 0.0021552 k( 192) = ( 0.1058824 0.1058824 0.0000000), wk = 0.0021552 k( 193) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0021552 k( 194) = ( 0.0941176 0.0941176 -0.0000000), wk = 0.0021552 k( 195) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0021552 k( 196) = ( 0.0823529 0.0823529 0.0000000), wk = 0.0021552 k( 197) = ( 0.0764706 0.0764706 0.0000000), wk = 0.0021552 k( 198) = ( 0.0705882 0.0705882 0.0000000), wk = 0.0021552 k( 199) = ( 0.0647059 0.0647059 0.0000000), wk = 0.0021552 k( 200) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0021552 k( 201) = ( 0.0529412 0.0529412 0.0000000), wk = 0.0021552 k( 202) = ( 0.0470588 0.0470588 -0.0000000), wk = 0.0021552 k( 203) = ( 0.0411765 0.0411765 0.0000000), wk = 0.0021552 k( 204) = ( 0.0352941 0.0352941 0.0000000), wk = 0.0021552 k( 205) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0021552 k( 206) = ( 0.0235294 0.0235294 -0.0000000), wk = 0.0021552 k( 207) = ( 0.0176471 0.0176471 0.0000000), wk = 0.0021552 k( 208) = ( 0.0117647 0.0117647 -0.0000000), wk = 0.0021552 k( 209) = ( 0.0058823 0.0058823 0.0000000), wk = 0.0021552 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 212) = ( 0.0047619 0.0047619 0.0047619), wk = 0.0021552 k( 213) = ( 0.0095238 0.0095238 0.0095238), wk = 0.0021552 k( 214) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0021552 k( 215) = ( 0.0190476 0.0190476 0.0190476), wk = 0.0021552 k( 216) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0021552 k( 217) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0021552 k( 218) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0021552 k( 219) = ( 0.0380952 0.0380952 0.0380952), wk = 0.0021552 k( 220) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0021552 k( 221) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0021552 k( 222) = ( 0.0523810 0.0523810 0.0523810), wk = 0.0021552 k( 223) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0021552 k( 224) = ( 0.0619048 0.0619048 0.0619048), wk = 0.0021552 k( 225) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0021552 k( 226) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0021552 k( 227) = ( 0.0761905 0.0761905 0.0761905), wk = 0.0021552 k( 228) = ( 0.0809524 0.0809524 0.0809524), wk = 0.0021552 k( 229) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0021552 k( 230) = ( 0.0904762 0.0904762 0.0904762), wk = 0.0021552 k( 231) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0021552 k( 232) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0021552 k( 233) = ( 0.1047619 0.1047619 0.1047619), wk = 0.0021552 k( 234) = ( 0.1095238 0.1095238 0.1095238), wk = 0.0021552 k( 235) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0021552 k( 236) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0021552 k( 237) = ( 0.1238095 0.1238095 0.1238095), wk = 0.0021552 k( 238) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0021552 k( 239) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0021552 k( 240) = ( 0.1380952 0.1380952 0.1380952), wk = 0.0021552 k( 241) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0021552 k( 242) = ( 0.1476191 0.1476191 0.1476191), wk = 0.0021552 k( 243) = ( 0.1523809 0.1523809 0.1523809), wk = 0.0021552 k( 244) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0021552 k( 245) = ( 0.1619048 0.1619048 0.1619048), wk = 0.0021552 k( 246) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0021552 k( 247) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0021552 k( 248) = ( 0.1761905 0.1761905 0.1761905), wk = 0.0021552 k( 249) = ( 0.1809524 0.1809524 0.1809524), wk = 0.0021552 k( 250) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0021552 k( 251) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0021552 k( 252) = ( 0.1952381 0.1952381 0.1952381), wk = 0.0021552 k( 253) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0021552 k( 254) = ( 0.2047619 0.2047619 0.2047619), wk = 0.0021552 k( 255) = ( 0.2095238 0.2095238 0.2095238), wk = 0.0021552 k( 256) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0021552 k( 257) = ( 0.2190476 0.2190476 0.2190476), wk = 0.0021552 k( 258) = ( 0.2238095 0.2238095 0.2238095), wk = 0.0021552 k( 259) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0021552 k( 260) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0021552 k( 261) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0021552 k( 262) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0021552 k( 263) = ( 0.2476191 0.2476191 0.2476191), wk = 0.0021552 k( 264) = ( 0.2523809 0.2523809 0.2523809), wk = 0.0021552 k( 265) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0021552 k( 266) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0021552 k( 267) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0021552 k( 268) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0021552 k( 269) = ( 0.2761905 0.2761905 0.2761905), wk = 0.0021552 k( 270) = ( 0.2809524 0.2809524 0.2809524), wk = 0.0021552 k( 271) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0021552 k( 272) = ( 0.2904762 0.2904762 0.2904762), wk = 0.0021552 k( 273) = ( 0.2952381 0.2952381 0.2952381), wk = 0.0021552 k( 274) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0021552 k( 275) = ( 0.3047619 0.3047619 0.3047619), wk = 0.0021552 k( 276) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0021552 k( 277) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0021552 k( 278) = ( 0.3190476 0.3190476 0.3190476), wk = 0.0021552 k( 279) = ( 0.3238095 0.3238095 0.3238095), wk = 0.0021552 k( 280) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0021552 k( 281) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021552 k( 282) = ( 0.3380952 0.3380952 0.3380952), wk = 0.0021552 k( 283) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0021552 k( 284) = ( 0.3476190 0.3476190 0.3476190), wk = 0.0021552 k( 285) = ( 0.3523810 0.3523810 0.3523810), wk = 0.0021552 k( 286) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0021552 k( 287) = ( 0.3619048 0.3619048 0.3619048), wk = 0.0021552 k( 288) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0021552 k( 289) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0021552 k( 290) = ( 0.3761905 0.3761905 0.3761905), wk = 0.0021552 k( 291) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0021552 k( 292) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0021552 k( 293) = ( 0.3904762 0.3904762 0.3904762), wk = 0.0021552 k( 294) = ( 0.3952381 0.3952381 0.3952381), wk = 0.0021552 k( 295) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0021552 k( 296) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0021552 k( 297) = ( 0.4095238 0.4095238 0.4095238), wk = 0.0021552 k( 298) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0021552 k( 299) = ( 0.4190476 0.4190476 0.4190476), wk = 0.0021552 k( 300) = ( 0.4238095 0.4238095 0.4238095), wk = 0.0021552 k( 301) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0021552 k( 302) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0021552 k( 303) = ( 0.4380952 0.4380952 0.4380952), wk = 0.0021552 k( 304) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0021552 k( 305) = ( 0.4476191 0.4476191 0.4476191), wk = 0.0021552 k( 306) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0021552 k( 307) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0021552 k( 308) = ( 0.4619048 0.4619048 0.4619048), wk = 0.0021552 k( 309) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0021552 k( 310) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0021552 k( 311) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0021552 k( 312) = ( 0.4809524 0.4809524 0.4809524), wk = 0.0021552 k( 313) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0021552 k( 314) = ( 0.4904762 0.4904762 0.4904762), wk = 0.0021552 k( 315) = ( 0.4952381 0.4952381 0.4952381), wk = 0.0021552 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 k( 317) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 k( 318) = ( 0.4941177 0.5000000 0.4941177), wk = 0.0021552 k( 319) = ( 0.4882353 0.5000000 0.4882353), wk = 0.0021552 k( 320) = ( 0.4823529 0.5000000 0.4823529), wk = 0.0021552 k( 321) = ( 0.4764706 0.5000000 0.4764706), wk = 0.0021552 k( 322) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0021552 k( 323) = ( 0.4647059 0.5000000 0.4647059), wk = 0.0021552 k( 324) = ( 0.4588235 0.5000000 0.4588235), wk = 0.0021552 k( 325) = ( 0.4529412 0.5000000 0.4529412), wk = 0.0021552 k( 326) = ( 0.4470588 0.5000000 0.4470588), wk = 0.0021552 k( 327) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0021552 k( 328) = ( 0.4352941 0.5000000 0.4352941), wk = 0.0021552 k( 329) = ( 0.4294118 0.5000000 0.4294118), wk = 0.0021552 k( 330) = ( 0.4235294 0.5000000 0.4235294), wk = 0.0021552 k( 331) = ( 0.4176471 0.5000000 0.4176471), wk = 0.0021552 k( 332) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0021552 k( 333) = ( 0.4058824 0.5000000 0.4058824), wk = 0.0021552 k( 334) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0021552 k( 335) = ( 0.3941176 0.5000000 0.3941176), wk = 0.0021552 k( 336) = ( 0.3882353 0.5000000 0.3882353), wk = 0.0021552 k( 337) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0021552 k( 338) = ( 0.3764706 0.5000000 0.3764706), wk = 0.0021552 k( 339) = ( 0.3705882 0.5000000 0.3705882), wk = 0.0021552 k( 340) = ( 0.3647059 0.5000000 0.3647059), wk = 0.0021552 k( 341) = ( 0.3588235 0.5000000 0.3588235), wk = 0.0021552 k( 342) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0021552 k( 343) = ( 0.3470588 0.5000000 0.3470588), wk = 0.0021552 k( 344) = ( 0.3411765 0.5000000 0.3411765), wk = 0.0021552 k( 345) = ( 0.3352941 0.5000000 0.3352941), wk = 0.0021552 k( 346) = ( 0.3294118 0.5000000 0.3294118), wk = 0.0021552 k( 347) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0021552 k( 348) = ( 0.3176471 0.5000000 0.3176471), wk = 0.0021552 k( 349) = ( 0.3117647 0.5000000 0.3117647), wk = 0.0021552 k( 350) = ( 0.3058824 0.5000000 0.3058824), wk = 0.0021552 k( 351) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0021552 k( 352) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0021552 k( 353) = ( 0.2882353 0.5000000 0.2882353), wk = 0.0021552 k( 354) = ( 0.2823529 0.5000000 0.2823529), wk = 0.0021552 k( 355) = ( 0.2764706 0.5000000 0.2764706), wk = 0.0021552 k( 356) = ( 0.2705882 0.5000000 0.2705882), wk = 0.0021552 k( 357) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0021552 k( 358) = ( 0.2588235 0.5000000 0.2588235), wk = 0.0021552 k( 359) = ( 0.2529412 0.5000000 0.2529412), wk = 0.0021552 k( 360) = ( 0.2470588 0.5000000 0.2470588), wk = 0.0021552 k( 361) = ( 0.2411765 0.5000000 0.2411765), wk = 0.0021552 k( 362) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0021552 k( 363) = ( 0.2294118 0.5000000 0.2294118), wk = 0.0021552 k( 364) = ( 0.2235294 0.5000000 0.2235294), wk = 0.0021552 k( 365) = ( 0.2176471 0.5000000 0.2176471), wk = 0.0021552 k( 366) = ( 0.2117647 0.5000000 0.2117647), wk = 0.0021552 k( 367) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0021552 k( 368) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0021552 k( 369) = ( 0.1941177 0.5000000 0.1941177), wk = 0.0021552 k( 370) = ( 0.1882353 0.5000000 0.1882353), wk = 0.0021552 k( 371) = ( 0.1823529 0.5000000 0.1823529), wk = 0.0021552 k( 372) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0021552 k( 373) = ( 0.1705882 0.5000000 0.1705882), wk = 0.0021552 k( 374) = ( 0.1647059 0.5000000 0.1647059), wk = 0.0021552 k( 375) = ( 0.1588235 0.5000000 0.1588235), wk = 0.0021552 k( 376) = ( 0.1529412 0.5000000 0.1529412), wk = 0.0021552 k( 377) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0021552 k( 378) = ( 0.1411765 0.5000000 0.1411765), wk = 0.0021552 k( 379) = ( 0.1352941 0.5000000 0.1352941), wk = 0.0021552 k( 380) = ( 0.1294118 0.5000000 0.1294118), wk = 0.0021552 k( 381) = ( 0.1235294 0.5000000 0.1235294), wk = 0.0021552 k( 382) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0021552 k( 383) = ( 0.1117647 0.5000000 0.1117647), wk = 0.0021552 k( 384) = ( 0.1058824 0.5000000 0.1058824), wk = 0.0021552 k( 385) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0021552 k( 386) = ( 0.0941176 0.5000000 0.0941176), wk = 0.0021552 k( 387) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0021552 k( 388) = ( 0.0823529 0.5000000 0.0823529), wk = 0.0021552 k( 389) = ( 0.0764706 0.5000000 0.0764706), wk = 0.0021552 k( 390) = ( 0.0705882 0.5000000 0.0705882), wk = 0.0021552 k( 391) = ( 0.0647059 0.5000000 0.0647059), wk = 0.0021552 k( 392) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0021552 k( 393) = ( 0.0529412 0.5000000 0.0529412), wk = 0.0021552 k( 394) = ( 0.0470588 0.5000000 0.0470588), wk = 0.0021552 k( 395) = ( 0.0411765 0.5000000 0.0411765), wk = 0.0021552 k( 396) = ( 0.0352941 0.5000000 0.0352941), wk = 0.0021552 k( 397) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0021552 k( 398) = ( 0.0235294 0.5000000 0.0235294), wk = 0.0021552 k( 399) = ( 0.0176471 0.5000000 0.0176471), wk = 0.0021552 k( 400) = ( 0.0117647 0.5000000 0.0117647), wk = 0.0021552 k( 401) = ( 0.0058823 0.5000000 0.0058823), wk = 0.0021552 k( 402) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 403) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 404) = ( 0.5000000 0.5000000 0.0081967), wk = 0.0021552 k( 405) = ( 0.5000000 0.5000000 0.0163934), wk = 0.0021552 k( 406) = ( 0.5000000 0.5000000 0.0245902), wk = 0.0021552 k( 407) = ( 0.5000000 0.5000000 0.0327869), wk = 0.0021552 k( 408) = ( 0.5000000 0.5000000 0.0409836), wk = 0.0021552 k( 409) = ( 0.5000000 0.5000000 0.0491803), wk = 0.0021552 k( 410) = ( 0.5000000 0.5000000 0.0573770), wk = 0.0021552 k( 411) = ( 0.5000000 0.5000000 0.0655738), wk = 0.0021552 k( 412) = ( 0.5000000 0.5000000 0.0737705), wk = 0.0021552 k( 413) = ( 0.5000000 0.5000000 0.0819672), wk = 0.0021552 k( 414) = ( 0.5000000 0.5000000 0.0901639), wk = 0.0021552 k( 415) = ( 0.5000000 0.5000000 0.0983607), wk = 0.0021552 k( 416) = ( 0.5000000 0.5000000 0.1065574), wk = 0.0021552 k( 417) = ( 0.5000000 0.5000000 0.1147541), wk = 0.0021552 k( 418) = ( 0.5000000 0.5000000 0.1229508), wk = 0.0021552 k( 419) = ( 0.5000000 0.5000000 0.1311475), wk = 0.0021552 k( 420) = ( 0.5000000 0.5000000 0.1393443), wk = 0.0021552 k( 421) = ( 0.5000000 0.5000000 0.1475410), wk = 0.0021552 k( 422) = ( 0.5000000 0.5000000 0.1557377), wk = 0.0021552 k( 423) = ( 0.5000000 0.5000000 0.1639344), wk = 0.0021552 k( 424) = ( 0.5000000 0.5000000 0.1721312), wk = 0.0021552 k( 425) = ( 0.5000000 0.5000000 0.1803279), wk = 0.0021552 k( 426) = ( 0.5000000 0.5000000 0.1885246), wk = 0.0021552 k( 427) = ( 0.5000000 0.5000000 0.1967213), wk = 0.0021552 k( 428) = ( 0.5000000 0.5000000 0.2049180), wk = 0.0021552 k( 429) = ( 0.5000000 0.5000000 0.2131147), wk = 0.0021552 k( 430) = ( 0.5000000 0.5000000 0.2213115), wk = 0.0021552 k( 431) = ( 0.5000000 0.5000000 0.2295082), wk = 0.0021552 k( 432) = ( 0.5000000 0.5000000 0.2377049), wk = 0.0021552 k( 433) = ( 0.5000000 0.5000000 0.2459016), wk = 0.0021552 k( 434) = ( 0.5000000 0.5000000 0.2540984), wk = 0.0021552 k( 435) = ( 0.5000000 0.5000000 0.2622951), wk = 0.0021552 k( 436) = ( 0.5000000 0.5000000 0.2704918), wk = 0.0021552 k( 437) = ( 0.5000000 0.5000000 0.2786885), wk = 0.0021552 k( 438) = ( 0.5000000 0.5000000 0.2868852), wk = 0.0021552 k( 439) = ( 0.5000000 0.5000000 0.2950820), wk = 0.0021552 k( 440) = ( 0.5000000 0.5000000 0.3032787), wk = 0.0021552 k( 441) = ( 0.5000000 0.5000000 0.3114754), wk = 0.0021552 k( 442) = ( 0.5000000 0.5000000 0.3196721), wk = 0.0021552 k( 443) = ( 0.5000000 0.5000000 0.3278688), wk = 0.0021552 k( 444) = ( 0.5000000 0.5000000 0.3360656), wk = 0.0021552 k( 445) = ( 0.5000000 0.5000000 0.3442623), wk = 0.0021552 k( 446) = ( 0.5000000 0.5000000 0.3524590), wk = 0.0021552 k( 447) = ( 0.5000000 0.5000000 0.3606557), wk = 0.0021552 k( 448) = ( 0.5000000 0.5000000 0.3688525), wk = 0.0021552 k( 449) = ( 0.5000000 0.5000000 0.3770492), wk = 0.0021552 k( 450) = ( 0.5000000 0.5000000 0.3852459), wk = 0.0021552 k( 451) = ( 0.5000000 0.5000000 0.3934426), wk = 0.0021552 k( 452) = ( 0.5000000 0.5000000 0.4016393), wk = 0.0021552 k( 453) = ( 0.5000000 0.5000000 0.4098361), wk = 0.0021552 k( 454) = ( 0.5000000 0.5000000 0.4180328), wk = 0.0021552 k( 455) = ( 0.5000000 0.5000000 0.4262295), wk = 0.0021552 k( 456) = ( 0.5000000 0.5000000 0.4344262), wk = 0.0021552 k( 457) = ( 0.5000000 0.5000000 0.4426230), wk = 0.0021552 k( 458) = ( 0.5000000 0.5000000 0.4508197), wk = 0.0021552 k( 459) = ( 0.5000000 0.5000000 0.4590164), wk = 0.0021552 k( 460) = ( 0.5000000 0.5000000 0.4672131), wk = 0.0021552 k( 461) = ( 0.5000000 0.5000000 0.4754098), wk = 0.0021552 k( 462) = ( 0.5000000 0.5000000 0.4836066), wk = 0.0021552 k( 463) = ( 0.5000000 0.5000000 0.4918033), wk = 0.0021552 k( 464) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 Dense grid: 9171 G-vectors FFT dimensions: ( 27, 27, 27) Smooth grid: 5041 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 42, 18) NL pseudopotentials 0.01 Mb ( 21, 34) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 254) G-vector shells 0.00 Mb ( 83) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 42, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.02 Mb ( 34, 2, 18) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./Ca.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.6 secs Computing kpt #: 16 total cpu time spent up to now is 3.7 secs Computing kpt #: 17 total cpu time spent up to now is 3.8 secs Computing kpt #: 18 total cpu time spent up to now is 3.9 secs Computing kpt #: 19 total cpu time spent up to now is 3.9 secs Computing kpt #: 20 total cpu time spent up to now is 4.0 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.3 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.7 secs Computing kpt #: 30 total cpu time spent up to now is 4.8 secs Computing kpt #: 31 total cpu time spent up to now is 4.9 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.0 secs Computing kpt #: 34 total cpu time spent up to now is 5.1 secs Computing kpt #: 35 total cpu time spent up to now is 5.2 secs Computing kpt #: 36 total cpu time spent up to now is 5.2 secs Computing kpt #: 37 total cpu time spent up to now is 5.3 secs Computing kpt #: 38 total cpu time spent up to now is 5.4 secs Computing kpt #: 39 total cpu time spent up to now is 5.4 secs Computing kpt #: 40 total cpu time spent up to now is 5.5 secs Computing kpt #: 41 total cpu time spent up to now is 5.6 secs Computing kpt #: 42 total cpu time spent up to now is 5.7 secs Computing kpt #: 43 total cpu time spent up to now is 5.7 secs Computing kpt #: 44 total cpu time spent up to now is 5.8 secs Computing kpt #: 45 total cpu time spent up to now is 5.9 secs Computing kpt #: 46 total cpu time spent up to now is 5.9 secs Computing kpt #: 47 total cpu time spent up to now is 6.0 secs Computing kpt #: 48 total cpu time spent up to now is 6.1 secs Computing kpt #: 49 total cpu time spent up to now is 6.1 secs Computing kpt #: 50 total cpu time spent up to now is 6.2 secs Computing kpt #: 51 total cpu time spent up to now is 6.3 secs Computing kpt #: 52 total cpu time spent up to now is 6.3 secs Computing kpt #: 53 total cpu time spent up to now is 6.4 secs Computing kpt #: 54 total cpu time spent up to now is 6.5 secs Computing kpt #: 55 total cpu time spent up to now is 6.6 secs Computing kpt #: 56 total cpu time spent up to now is 6.6 secs Computing kpt #: 57 total cpu time spent up to now is 6.7 secs Computing kpt #: 58 total cpu time spent up to now is 6.8 secs Computing kpt #: 59 total cpu time spent up to now is 6.9 secs Computing kpt #: 60 total cpu time spent up to now is 6.9 secs Computing kpt #: 61 total cpu time spent up to now is 7.0 secs Computing kpt #: 62 total cpu time spent up to now is 7.1 secs Computing kpt #: 63 total cpu time spent up to now is 7.2 secs Computing kpt #: 64 total cpu time spent up to now is 7.3 secs Computing kpt #: 65 total cpu time spent up to now is 7.3 secs Computing kpt #: 66 total cpu time spent up to now is 7.4 secs Computing kpt #: 67 total cpu time spent up to now is 7.5 secs Computing kpt #: 68 total cpu time spent up to now is 7.6 secs Computing kpt #: 69 total cpu time spent up to now is 7.7 secs Computing kpt #: 70 total cpu time spent up to now is 7.7 secs Computing kpt #: 71 total cpu time spent up to now is 7.8 secs Computing kpt #: 72 total cpu time spent up to now is 7.9 secs Computing kpt #: 73 total cpu time spent up to now is 8.0 secs Computing kpt #: 74 total cpu time spent up to now is 8.1 secs Computing kpt #: 75 total cpu time spent up to now is 8.2 secs Computing kpt #: 76 total cpu time spent up to now is 8.3 secs Computing kpt #: 77 total cpu time spent up to now is 8.4 secs Computing kpt #: 78 total cpu time spent up to now is 8.5 secs Computing kpt #: 79 total cpu time spent up to now is 8.6 secs Computing kpt #: 80 total cpu time spent up to now is 8.7 secs Computing kpt #: 81 total cpu time spent up to now is 8.8 secs Computing kpt #: 82 total cpu time spent up to now is 8.9 secs Computing kpt #: 83 total cpu time spent up to now is 9.0 secs Computing kpt #: 84 total cpu time spent up to now is 9.1 secs Computing kpt #: 85 total cpu time spent up to now is 9.2 secs Computing kpt #: 86 total cpu time spent up to now is 9.3 secs Computing kpt #: 87 total cpu time spent up to now is 9.4 secs Computing kpt #: 88 total cpu time spent up to now is 9.5 secs Computing kpt #: 89 total cpu time spent up to now is 9.5 secs Computing kpt #: 90 total cpu time spent up to now is 9.6 secs Computing kpt #: 91 total cpu time spent up to now is 9.7 secs Computing kpt #: 92 total cpu time spent up to now is 9.8 secs Computing kpt #: 93 total cpu time spent up to now is 9.9 secs Computing kpt #: 94 total cpu time spent up to now is 10.0 secs Computing kpt #: 95 total cpu time spent up to now is 10.2 secs Computing kpt #: 96 total cpu time spent up to now is 10.2 secs Computing kpt #: 97 total cpu time spent up to now is 10.3 secs Computing kpt #: 98 total cpu time spent up to now is 10.4 secs Computing kpt #: 99 total cpu time spent up to now is 10.5 secs Computing kpt #: 100 total cpu time spent up to now is 10.6 secs Computing kpt #: 101 total cpu time spent up to now is 10.7 secs Computing kpt #: 102 total cpu time spent up to now is 10.8 secs Computing kpt #: 103 total cpu time spent up to now is 10.9 secs Computing kpt #: 104 total cpu time spent up to now is 11.0 secs Computing kpt #: 105 total cpu time spent up to now is 11.1 secs Computing kpt #: 106 total cpu time spent up to now is 11.2 secs Computing kpt #: 107 total cpu time spent up to now is 11.3 secs Computing kpt #: 108 total cpu time spent up to now is 11.3 secs Computing kpt #: 109 total cpu time spent up to now is 11.4 secs Computing kpt #: 110 total cpu time spent up to now is 11.5 secs Computing kpt #: 111 total cpu time spent up to now is 11.6 secs Computing kpt #: 112 total cpu time spent up to now is 11.7 secs Computing kpt #: 113 total cpu time spent up to now is 11.8 secs Computing kpt #: 114 total cpu time spent up to now is 11.9 secs Computing kpt #: 115 total cpu time spent up to now is 12.0 secs Computing kpt #: 116 total cpu time spent up to now is 12.1 secs Computing kpt #: 117 total cpu time spent up to now is 12.1 secs Computing kpt #: 118 total cpu time spent up to now is 12.2 secs Computing kpt #: 119 total cpu time spent up to now is 12.3 secs Computing kpt #: 120 total cpu time spent up to now is 12.4 secs Computing kpt #: 121 total cpu time spent up to now is 12.5 secs Computing kpt #: 122 total cpu time spent up to now is 12.6 secs Computing kpt #: 123 total cpu time spent up to now is 12.7 secs Computing kpt #: 124 total cpu time spent up to now is 12.8 secs Computing kpt #: 125 total cpu time spent up to now is 12.9 secs Computing kpt #: 126 total cpu time spent up to now is 12.9 secs Computing kpt #: 127 total cpu time spent up to now is 13.0 secs Computing kpt #: 128 total cpu time spent up to now is 13.1 secs Computing kpt #: 129 total cpu time spent up to now is 13.2 secs Computing kpt #: 130 total cpu time spent up to now is 13.3 secs Computing kpt #: 131 total cpu time spent up to now is 13.4 secs Computing kpt #: 132 total cpu time spent up to now is 13.5 secs Computing kpt #: 133 total cpu time spent up to now is 13.6 secs Computing kpt #: 134 total cpu time spent up to now is 13.7 secs Computing kpt #: 135 total cpu time spent up to now is 13.8 secs Computing kpt #: 136 total cpu time spent up to now is 13.9 secs Computing kpt #: 137 total cpu time spent up to now is 14.0 secs Computing kpt #: 138 total cpu time spent up to now is 14.0 secs Computing kpt #: 139 total cpu time spent up to now is 14.1 secs Computing kpt #: 140 total cpu time spent up to now is 14.2 secs Computing kpt #: 141 total cpu time spent up to now is 14.3 secs Computing kpt #: 142 total cpu time spent up to now is 14.4 secs Computing kpt #: 143 total cpu time spent up to now is 14.5 secs Computing kpt #: 144 total cpu time spent up to now is 14.6 secs Computing kpt #: 145 total cpu time spent up to now is 14.7 secs Computing kpt #: 146 total cpu time spent up to now is 14.8 secs Computing kpt #: 147 total cpu time spent up to now is 14.9 secs Computing kpt #: 148 total cpu time spent up to now is 15.0 secs Computing kpt #: 149 total cpu time spent up to now is 15.1 secs Computing kpt #: 150 total cpu time spent up to now is 15.2 secs Computing kpt #: 151 total cpu time spent up to now is 15.2 secs Computing kpt #: 152 total cpu time spent up to now is 15.3 secs Computing kpt #: 153 total cpu time spent up to now is 15.4 secs Computing kpt #: 154 total cpu time spent up to now is 15.5 secs Computing kpt #: 155 total cpu time spent up to now is 15.5 secs Computing kpt #: 156 total cpu time spent up to now is 15.6 secs Computing kpt #: 157 total cpu time spent up to now is 15.7 secs Computing kpt #: 158 total cpu time spent up to now is 15.8 secs Computing kpt #: 159 total cpu time spent up to now is 15.9 secs Computing kpt #: 160 total cpu time spent up to now is 15.9 secs Computing kpt #: 161 total cpu time spent up to now is 16.0 secs Computing kpt #: 162 total cpu time spent up to now is 16.1 secs Computing kpt #: 163 total cpu time spent up to now is 16.2 secs Computing kpt #: 164 total cpu time spent up to now is 16.2 secs Computing kpt #: 165 total cpu time spent up to now is 16.3 secs Computing kpt #: 166 total cpu time spent up to now is 16.4 secs Computing kpt #: 167 total cpu time spent up to now is 16.4 secs Computing kpt #: 168 total cpu time spent up to now is 16.5 secs Computing kpt #: 169 total cpu time spent up to now is 16.6 secs Computing kpt #: 170 total cpu time spent up to now is 16.7 secs Computing kpt #: 171 total cpu time spent up to now is 16.8 secs Computing kpt #: 172 total cpu time spent up to now is 16.9 secs Computing kpt #: 173 total cpu time spent up to now is 17.0 secs Computing kpt #: 174 total cpu time spent up to now is 17.0 secs Computing kpt #: 175 total cpu time spent up to now is 17.2 secs Computing kpt #: 176 total cpu time spent up to now is 17.3 secs Computing kpt #: 177 total cpu time spent up to now is 17.4 secs Computing kpt #: 178 total cpu time spent up to now is 17.5 secs Computing kpt #: 179 total cpu time spent up to now is 17.6 secs Computing kpt #: 180 total cpu time spent up to now is 17.7 secs Computing kpt #: 181 total cpu time spent up to now is 17.8 secs Computing kpt #: 182 total cpu time spent up to now is 17.8 secs Computing kpt #: 183 total cpu time spent up to now is 17.9 secs Computing kpt #: 184 total cpu time spent up to now is 18.0 secs Computing kpt #: 185 total cpu time spent up to now is 18.1 secs Computing kpt #: 186 total cpu time spent up to now is 18.2 secs Computing kpt #: 187 total cpu time spent up to now is 18.3 secs Computing kpt #: 188 total cpu time spent up to now is 18.4 secs Computing kpt #: 189 total cpu time spent up to now is 18.5 secs Computing kpt #: 190 total cpu time spent up to now is 18.6 secs Computing kpt #: 191 total cpu time spent up to now is 18.7 secs Computing kpt #: 192 total cpu time spent up to now is 18.8 secs Computing kpt #: 193 total cpu time spent up to now is 18.9 secs Computing kpt #: 194 total cpu time spent up to now is 18.9 secs Computing kpt #: 195 total cpu time spent up to now is 19.0 secs Computing kpt #: 196 total cpu time spent up to now is 19.1 secs Computing kpt #: 197 total cpu time spent up to now is 19.2 secs Computing kpt #: 198 total cpu time spent up to now is 19.3 secs Computing kpt #: 199 total cpu time spent up to now is 19.4 secs Computing kpt #: 200 total cpu time spent up to now is 19.5 secs Computing kpt #: 201 total cpu time spent up to now is 19.6 secs Computing kpt #: 202 total cpu time spent up to now is 19.7 secs Computing kpt #: 203 total cpu time spent up to now is 19.8 secs Computing kpt #: 204 total cpu time spent up to now is 19.8 secs Computing kpt #: 205 total cpu time spent up to now is 20.0 secs Computing kpt #: 206 total cpu time spent up to now is 20.1 secs Computing kpt #: 207 total cpu time spent up to now is 20.2 secs Computing kpt #: 208 total cpu time spent up to now is 20.2 secs Computing kpt #: 209 total cpu time spent up to now is 20.3 secs Computing kpt #: 210 total cpu time spent up to now is 20.5 secs Computing kpt #: 211 total cpu time spent up to now is 20.6 secs Computing kpt #: 212 total cpu time spent up to now is 20.7 secs Computing kpt #: 213 total cpu time spent up to now is 20.7 secs Computing kpt #: 214 total cpu time spent up to now is 20.8 secs Computing kpt #: 215 total cpu time spent up to now is 20.9 secs Computing kpt #: 216 total cpu time spent up to now is 21.0 secs Computing kpt #: 217 total cpu time spent up to now is 21.1 secs Computing kpt #: 218 total cpu time spent up to now is 21.2 secs Computing kpt #: 219 total cpu time spent up to now is 21.3 secs Computing kpt #: 220 total cpu time spent up to now is 21.4 secs Computing kpt #: 221 total cpu time spent up to now is 21.5 secs Computing kpt #: 222 total cpu time spent up to now is 21.6 secs Computing kpt #: 223 total cpu time spent up to now is 21.7 secs Computing kpt #: 224 total cpu time spent up to now is 21.8 secs Computing kpt #: 225 total cpu time spent up to now is 22.0 secs Computing kpt #: 226 total cpu time spent up to now is 22.0 secs Computing kpt #: 227 total cpu time spent up to now is 22.1 secs Computing kpt #: 228 total cpu time spent up to now is 22.2 secs Computing kpt #: 229 total cpu time spent up to now is 22.3 secs Computing kpt #: 230 total cpu time spent up to now is 22.4 secs Computing kpt #: 231 total cpu time spent up to now is 22.4 secs Computing kpt #: 232 total cpu time spent up to now is 22.5 secs Computing kpt #: 233 total cpu time spent up to now is 22.6 secs Computing kpt #: 234 total cpu time spent up to now is 22.7 secs Computing kpt #: 235 total cpu time spent up to now is 22.8 secs Computing kpt #: 236 total cpu time spent up to now is 22.8 secs Computing kpt #: 237 total cpu time spent up to now is 22.9 secs Computing kpt #: 238 total cpu time spent up to now is 23.0 secs Computing kpt #: 239 total cpu time spent up to now is 23.1 secs Computing kpt #: 240 total cpu time spent up to now is 23.1 secs Computing kpt #: 241 total cpu time spent up to now is 23.2 secs Computing kpt #: 242 total cpu time spent up to now is 23.3 secs Computing kpt #: 243 total cpu time spent up to now is 23.4 secs Computing kpt #: 244 total cpu time spent up to now is 23.5 secs Computing kpt #: 245 total cpu time spent up to now is 23.5 secs Computing kpt #: 246 total cpu time spent up to now is 23.6 secs Computing kpt #: 247 total cpu time spent up to now is 23.7 secs Computing kpt #: 248 total cpu time spent up to now is 23.8 secs Computing kpt #: 249 total cpu time spent up to now is 23.9 secs Computing kpt #: 250 total cpu time spent up to now is 24.0 secs Computing kpt #: 251 total cpu time spent up to now is 24.1 secs Computing kpt #: 252 total cpu time spent up to now is 24.1 secs Computing kpt #: 253 total cpu time spent up to now is 24.2 secs Computing kpt #: 254 total cpu time spent up to now is 24.3 secs Computing kpt #: 255 total cpu time spent up to now is 24.4 secs Computing kpt #: 256 total cpu time spent up to now is 24.5 secs Computing kpt #: 257 total cpu time spent up to now is 24.6 secs Computing kpt #: 258 total cpu time spent up to now is 24.7 secs Computing kpt #: 259 total cpu time spent up to now is 24.8 secs Computing kpt #: 260 total cpu time spent up to now is 24.9 secs Computing kpt #: 261 total cpu time spent up to now is 24.9 secs Computing kpt #: 262 total cpu time spent up to now is 25.0 secs Computing kpt #: 263 total cpu time spent up to now is 25.1 secs Computing kpt #: 264 total cpu time spent up to now is 25.2 secs Computing kpt #: 265 total cpu time spent up to now is 25.3 secs Computing kpt #: 266 total cpu time spent up to now is 25.4 secs Computing kpt #: 267 total cpu time spent up to now is 25.5 secs Computing kpt #: 268 total cpu time spent up to now is 25.6 secs Computing kpt #: 269 total cpu time spent up to now is 25.7 secs Computing kpt #: 270 total cpu time spent up to now is 25.8 secs Computing kpt #: 271 total cpu time spent up to now is 25.9 secs Computing kpt #: 272 total cpu time spent up to now is 25.9 secs Computing kpt #: 273 total cpu time spent up to now is 26.0 secs Computing kpt #: 274 total cpu time spent up to now is 26.1 secs Computing kpt #: 275 total cpu time spent up to now is 26.2 secs Computing kpt #: 276 total cpu time spent up to now is 26.3 secs Computing kpt #: 277 total cpu time spent up to now is 26.4 secs Computing kpt #: 278 total cpu time spent up to now is 26.5 secs Computing kpt #: 279 total cpu time spent up to now is 26.6 secs Computing kpt #: 280 total cpu time spent up to now is 26.7 secs Computing kpt #: 281 total cpu time spent up to now is 26.8 secs Computing kpt #: 282 total cpu time spent up to now is 26.9 secs Computing kpt #: 283 total cpu time spent up to now is 26.9 secs Computing kpt #: 284 total cpu time spent up to now is 27.0 secs Computing kpt #: 285 total cpu time spent up to now is 27.1 secs Computing kpt #: 286 total cpu time spent up to now is 27.2 secs Computing kpt #: 287 total cpu time spent up to now is 27.3 secs Computing kpt #: 288 total cpu time spent up to now is 27.4 secs Computing kpt #: 289 total cpu time spent up to now is 27.5 secs Computing kpt #: 290 total cpu time spent up to now is 27.6 secs Computing kpt #: 291 total cpu time spent up to now is 27.7 secs Computing kpt #: 292 total cpu time spent up to now is 27.8 secs Computing kpt #: 293 total cpu time spent up to now is 27.9 secs Computing kpt #: 294 total cpu time spent up to now is 28.0 secs Computing kpt #: 295 total cpu time spent up to now is 28.1 secs Computing kpt #: 296 total cpu time spent up to now is 28.2 secs Computing kpt #: 297 total cpu time spent up to now is 28.3 secs Computing kpt #: 298 total cpu time spent up to now is 28.4 secs Computing kpt #: 299 total cpu time spent up to now is 28.5 secs Computing kpt #: 300 total cpu time spent up to now is 29.0 secs Computing kpt #: 301 total cpu time spent up to now is 29.1 secs Computing kpt #: 302 total cpu time spent up to now is 29.3 secs Computing kpt #: 303 total cpu time spent up to now is 29.4 secs Computing kpt #: 304 total cpu time spent up to now is 29.6 secs Computing kpt #: 305 total cpu time spent up to now is 29.7 secs Computing kpt #: 306 total cpu time spent up to now is 29.8 secs Computing kpt #: 307 total cpu time spent up to now is 29.9 secs Computing kpt #: 308 total cpu time spent up to now is 30.0 secs Computing kpt #: 309 total cpu time spent up to now is 30.1 secs Computing kpt #: 310 total cpu time spent up to now is 30.2 secs Computing kpt #: 311 total cpu time spent up to now is 30.3 secs Computing kpt #: 312 total cpu time spent up to now is 30.4 secs Computing kpt #: 313 total cpu time spent up to now is 30.5 secs Computing kpt #: 314 total cpu time spent up to now is 30.6 secs Computing kpt #: 315 total cpu time spent up to now is 30.7 secs Computing kpt #: 316 total cpu time spent up to now is 30.7 secs Computing kpt #: 317 total cpu time spent up to now is 30.8 secs Computing kpt #: 318 total cpu time spent up to now is 30.9 secs Computing kpt #: 319 total cpu time spent up to now is 31.0 secs Computing kpt #: 320 total cpu time spent up to now is 31.2 secs Computing kpt #: 321 total cpu time spent up to now is 31.3 secs Computing kpt #: 322 total cpu time spent up to now is 31.4 secs Computing kpt #: 323 total cpu time spent up to now is 31.5 secs Computing kpt #: 324 total cpu time spent up to now is 31.6 secs Computing kpt #: 325 total cpu time spent up to now is 31.8 secs Computing kpt #: 326 total cpu time spent up to now is 31.9 secs Computing kpt #: 327 total cpu time spent up to now is 32.0 secs Computing kpt #: 328 total cpu time spent up to now is 32.1 secs Computing kpt #: 329 total cpu time spent up to now is 32.2 secs Computing kpt #: 330 total cpu time spent up to now is 32.3 secs Computing kpt #: 331 total cpu time spent up to now is 32.4 secs Computing kpt #: 332 total cpu time spent up to now is 32.5 secs Computing kpt #: 333 total cpu time spent up to now is 32.6 secs Computing kpt #: 334 total cpu time spent up to now is 32.8 secs Computing kpt #: 335 total cpu time spent up to now is 32.9 secs Computing kpt #: 336 total cpu time spent up to now is 33.0 secs Computing kpt #: 337 total cpu time spent up to now is 33.2 secs Computing kpt #: 338 total cpu time spent up to now is 33.3 secs Computing kpt #: 339 total cpu time spent up to now is 33.4 secs Computing kpt #: 340 total cpu time spent up to now is 33.5 secs Computing kpt #: 341 total cpu time spent up to now is 33.6 secs Computing kpt #: 342 total cpu time spent up to now is 33.6 secs Computing kpt #: 343 total cpu time spent up to now is 33.7 secs Computing kpt #: 344 total cpu time spent up to now is 33.8 secs Computing kpt #: 345 total cpu time spent up to now is 33.9 secs Computing kpt #: 346 total cpu time spent up to now is 34.0 secs Computing kpt #: 347 total cpu time spent up to now is 34.0 secs Computing kpt #: 348 total cpu time spent up to now is 34.1 secs Computing kpt #: 349 total cpu time spent up to now is 34.2 secs Computing kpt #: 350 total cpu time spent up to now is 34.3 secs Computing kpt #: 351 total cpu time spent up to now is 34.3 secs Computing kpt #: 352 total cpu time spent up to now is 34.4 secs Computing kpt #: 353 total cpu time spent up to now is 34.5 secs Computing kpt #: 354 total cpu time spent up to now is 34.6 secs Computing kpt #: 355 total cpu time spent up to now is 34.6 secs Computing kpt #: 356 total cpu time spent up to now is 34.7 secs Computing kpt #: 357 total cpu time spent up to now is 34.8 secs Computing kpt #: 358 total cpu time spent up to now is 34.8 secs Computing kpt #: 359 total cpu time spent up to now is 34.9 secs Computing kpt #: 360 total cpu time spent up to now is 35.0 secs Computing kpt #: 361 total cpu time spent up to now is 35.0 secs Computing kpt #: 362 total cpu time spent up to now is 35.1 secs Computing kpt #: 363 total cpu time spent up to now is 35.2 secs Computing kpt #: 364 total cpu time spent up to now is 35.3 secs Computing kpt #: 365 total cpu time spent up to now is 35.3 secs Computing kpt #: 366 total cpu time spent up to now is 35.4 secs Computing kpt #: 367 total cpu time spent up to now is 35.5 secs Computing kpt #: 368 total cpu time spent up to now is 35.6 secs Computing kpt #: 369 total cpu time spent up to now is 35.7 secs Computing kpt #: 370 total cpu time spent up to now is 35.8 secs Computing kpt #: 371 total cpu time spent up to now is 35.9 secs Computing kpt #: 372 total cpu time spent up to now is 36.0 secs Computing kpt #: 373 total cpu time spent up to now is 36.0 secs Computing kpt #: 374 total cpu time spent up to now is 36.1 secs Computing kpt #: 375 total cpu time spent up to now is 36.2 secs Computing kpt #: 376 total cpu time spent up to now is 36.3 secs Computing kpt #: 377 total cpu time spent up to now is 36.4 secs Computing kpt #: 378 total cpu time spent up to now is 36.5 secs Computing kpt #: 379 total cpu time spent up to now is 36.6 secs Computing kpt #: 380 total cpu time spent up to now is 36.7 secs Computing kpt #: 381 total cpu time spent up to now is 36.8 secs Computing kpt #: 382 total cpu time spent up to now is 36.9 secs Computing kpt #: 383 total cpu time spent up to now is 37.0 secs Computing kpt #: 384 total cpu time spent up to now is 37.1 secs Computing kpt #: 385 total cpu time spent up to now is 37.2 secs Computing kpt #: 386 total cpu time spent up to now is 37.3 secs Computing kpt #: 387 total cpu time spent up to now is 37.3 secs Computing kpt #: 388 total cpu time spent up to now is 37.4 secs Computing kpt #: 389 total cpu time spent up to now is 37.5 secs Computing kpt #: 390 total cpu time spent up to now is 37.6 secs Computing kpt #: 391 total cpu time spent up to now is 37.7 secs Computing kpt #: 392 total cpu time spent up to now is 37.8 secs Computing kpt #: 393 total cpu time spent up to now is 37.9 secs Computing kpt #: 394 total cpu time spent up to now is 38.0 secs Computing kpt #: 395 total cpu time spent up to now is 38.1 secs Computing kpt #: 396 total cpu time spent up to now is 38.2 secs Computing kpt #: 397 total cpu time spent up to now is 38.2 secs Computing kpt #: 398 total cpu time spent up to now is 38.3 secs Computing kpt #: 399 total cpu time spent up to now is 38.4 secs Computing kpt #: 400 total cpu time spent up to now is 38.5 secs Computing kpt #: 401 total cpu time spent up to now is 38.5 secs Computing kpt #: 402 total cpu time spent up to now is 38.6 secs Computing kpt #: 403 total cpu time spent up to now is 38.7 secs Computing kpt #: 404 total cpu time spent up to now is 38.8 secs Computing kpt #: 405 total cpu time spent up to now is 38.9 secs Computing kpt #: 406 total cpu time spent up to now is 39.0 secs Computing kpt #: 407 total cpu time spent up to now is 39.1 secs Computing kpt #: 408 total cpu time spent up to now is 39.2 secs Computing kpt #: 409 total cpu time spent up to now is 39.4 secs Computing kpt #: 410 total cpu time spent up to now is 39.5 secs Computing kpt #: 411 total cpu time spent up to now is 39.6 secs Computing kpt #: 412 total cpu time spent up to now is 39.8 secs Computing kpt #: 413 total cpu time spent up to now is 39.9 secs Computing kpt #: 414 total cpu time spent up to now is 40.1 secs Computing kpt #: 415 total cpu time spent up to now is 40.3 secs Computing kpt #: 416 total cpu time spent up to now is 40.4 secs Computing kpt #: 417 total cpu time spent up to now is 40.6 secs Computing kpt #: 418 total cpu time spent up to now is 40.7 secs Computing kpt #: 419 total cpu time spent up to now is 40.8 secs Computing kpt #: 420 total cpu time spent up to now is 41.0 secs Computing kpt #: 421 total cpu time spent up to now is 41.2 secs Computing kpt #: 422 total cpu time spent up to now is 41.3 secs Computing kpt #: 423 total cpu time spent up to now is 41.4 secs Computing kpt #: 424 total cpu time spent up to now is 41.5 secs Computing kpt #: 425 total cpu time spent up to now is 41.6 secs Computing kpt #: 426 total cpu time spent up to now is 41.8 secs Computing kpt #: 427 total cpu time spent up to now is 41.9 secs Computing kpt #: 428 total cpu time spent up to now is 42.0 secs Computing kpt #: 429 total cpu time spent up to now is 42.1 secs Computing kpt #: 430 total cpu time spent up to now is 42.2 secs Computing kpt #: 431 total cpu time spent up to now is 42.3 secs Computing kpt #: 432 total cpu time spent up to now is 42.4 secs Computing kpt #: 433 total cpu time spent up to now is 42.6 secs Computing kpt #: 434 total cpu time spent up to now is 42.7 secs Computing kpt #: 435 total cpu time spent up to now is 42.8 secs Computing kpt #: 436 total cpu time spent up to now is 42.9 secs Computing kpt #: 437 total cpu time spent up to now is 43.0 secs Computing kpt #: 438 total cpu time spent up to now is 43.2 secs Computing kpt #: 439 total cpu time spent up to now is 43.3 secs Computing kpt #: 440 total cpu time spent up to now is 43.4 secs Computing kpt #: 441 total cpu time spent up to now is 43.5 secs Computing kpt #: 442 total cpu time spent up to now is 43.9 secs Computing kpt #: 443 total cpu time spent up to now is 44.0 secs Computing kpt #: 444 total cpu time spent up to now is 44.1 secs Computing kpt #: 445 total cpu time spent up to now is 44.2 secs Computing kpt #: 446 total cpu time spent up to now is 44.3 secs Computing kpt #: 447 total cpu time spent up to now is 44.4 secs Computing kpt #: 448 total cpu time spent up to now is 44.5 secs Computing kpt #: 449 total cpu time spent up to now is 44.6 secs Computing kpt #: 450 total cpu time spent up to now is 44.7 secs Computing kpt #: 451 total cpu time spent up to now is 44.8 secs Computing kpt #: 452 total cpu time spent up to now is 44.9 secs Computing kpt #: 453 total cpu time spent up to now is 45.0 secs Computing kpt #: 454 total cpu time spent up to now is 45.1 secs Computing kpt #: 455 total cpu time spent up to now is 45.2 secs Computing kpt #: 456 total cpu time spent up to now is 45.3 secs Computing kpt #: 457 total cpu time spent up to now is 45.4 secs Computing kpt #: 458 total cpu time spent up to now is 45.5 secs Computing kpt #: 459 total cpu time spent up to now is 45.6 secs Computing kpt #: 460 total cpu time spent up to now is 45.7 secs Computing kpt #: 461 total cpu time spent up to now is 45.8 secs Computing kpt #: 462 total cpu time spent up to now is 46.0 secs Computing kpt #: 463 total cpu time spent up to now is 46.1 secs Computing kpt #: 464 total cpu time spent up to now is 46.1 secs ethr = 1.00E-07, avg # of iterations = 23.5 total cpu time spent up to now is 46.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 619 PWs) bands (ev): -27.8262 -27.8262 -7.7243 -7.7243 -7.3302 -7.3302 -7.3302 -7.3302 9.5325 9.5325 13.7607 13.7607 13.7607 13.7607 21.5853 21.5853 21.5853 21.5853 k = 0.0000 0.0082-0.0000 ( 619 PWs) bands (ev): -27.8260 -27.8260 -7.7248 -7.7248 -7.3314 -7.3314 -7.3300 -7.3300 9.5348 9.5348 13.7613 13.7613 13.7630 13.7630 21.5821 21.5821 21.5843 21.5843 k = 0.0000 0.0164-0.0000 ( 619 PWs) bands (ev): -27.8251 -27.8251 -7.7263 -7.7263 -7.3350 -7.3350 -7.3296 -7.3296 9.5414 9.5414 13.7633 13.7633 13.7698 13.7698 21.5726 21.5726 21.5793 21.5793 k = 0.0000 0.0246-0.0000 ( 619 PWs) bands (ev): -27.8237 -27.8237 -7.7290 -7.7290 -7.3410 -7.3410 -7.3288 -7.3288 9.5524 9.5524 13.7666 13.7666 13.7812 13.7812 21.5568 21.5569 21.5667 21.5673 k = 0.0000 0.0328-0.0000 ( 619 PWs) bands (ev): -27.8218 -27.8218 -7.7330 -7.7330 -7.3490 -7.3490 -7.3277 -7.3277 9.5678 9.5678 13.7712 13.7712 13.7971 13.7971 21.5347 21.5347 21.5461 21.5461 k = 0.0000 0.0410-0.0000 ( 619 PWs) bands (ev): -27.8193 -27.8193 -7.7384 -7.7384 -7.3590 -7.3590 -7.3262 -7.3262 9.5874 9.5874 13.7772 13.7772 13.8175 13.8175 21.5067 21.5067 21.5188 21.5188 k = 0.0000 0.0492-0.0000 ( 619 PWs) bands (ev): -27.8162 -27.8162 -7.7455 -7.7455 -7.3705 -7.3705 -7.3245 -7.3245 9.6113 9.6113 13.7844 13.7844 13.8423 13.8423 21.4729 21.4729 21.4853 21.4853 k = 0.0000 0.0574-0.0000 ( 623 PWs) bands (ev): -27.8126 -27.8126 -7.7547 -7.7547 -7.3833 -7.3833 -7.3225 -7.3225 9.6393 9.6393 13.7929 13.7929 13.8712 13.8712 21.4334 21.4334 21.4461 21.4461 k = 0.0000 0.0656-0.0000 ( 623 PWs) bands (ev): -27.8085 -27.8085 -7.7662 -7.7662 -7.3967 -7.3967 -7.3202 -7.3202 9.6713 9.6713 13.8026 13.8026 13.9047 13.9047 21.3887 21.3887 21.4016 21.4016 k = 0.0000 0.0738-0.0000 ( 631 PWs) bands (ev): -27.8039 -27.8039 -7.7807 -7.7807 -7.4105 -7.4105 -7.3176 -7.3176 9.7073 9.7073 13.8136 13.8136 13.9424 13.9424 21.3388 21.3388 21.3517 21.3518 k = 0.0000 0.0820-0.0000 ( 631 PWs) bands (ev): -27.7987 -27.7987 -7.7982 -7.7982 -7.4239 -7.4239 -7.3147 -7.3147 9.7471 9.7471 13.8259 13.8259 13.9842 13.9842 21.2844 21.2845 21.2974 21.2975 k = 0.0000 0.0902-0.0000 ( 631 PWs) bands (ev): -27.7931 -27.7931 -7.8193 -7.8193 -7.4364 -7.4364 -7.3115 -7.3115 9.7907 9.7907 13.8394 13.8394 14.0300 14.0300 21.2256 21.2256 21.2387 21.2388 k = 0.0000 0.0984-0.0000 ( 639 PWs) bands (ev): -27.7870 -27.7870 -7.8442 -7.8442 -7.4479 -7.4479 -7.3082 -7.3082 9.8377 9.8377 13.8539 13.8539 14.0797 14.0797 21.1626 21.1627 21.1758 21.1758 k = 0.0000 0.1066-0.0000 ( 639 PWs) bands (ev): -27.7804 -27.7804 -7.8731 -7.8731 -7.4579 -7.4579 -7.3045 -7.3045 9.8882 9.8882 13.8698 13.8698 14.1331 14.1331 21.0962 21.0962 21.1094 21.1094 k = 0.0000 0.1148-0.0000 ( 639 PWs) bands (ev): -27.7733 -27.7733 -7.9059 -7.9059 -7.4662 -7.4662 -7.3005 -7.3005 9.9420 9.9420 13.8868 13.8868 14.1901 14.1901 21.0264 21.0264 21.0396 21.0396 k = 0.0000 0.1230-0.0000 ( 639 PWs) bands (ev): -27.7658 -27.7658 -7.9426 -7.9426 -7.4729 -7.4729 -7.2963 -7.2963 9.9989 9.9989 13.9048 13.9048 14.2504 14.2504 20.9536 20.9536 20.9668 20.9668 k = 0.0000 0.1311-0.0000 ( 639 PWs) bands (ev): -27.7579 -27.7579 -7.9829 -7.9829 -7.4779 -7.4779 -7.2918 -7.2918 10.0589 10.0589 13.9240 13.9240 14.3138 14.3138 20.8781 20.8781 20.8913 20.8913 k = 0.0000 0.1393-0.0000 ( 639 PWs) bands (ev): -27.7495 -27.7495 -8.0265 -8.0265 -7.4816 -7.4816 -7.2872 -7.2872 10.1217 10.1217 13.9442 13.9442 14.3801 14.3801 20.8003 20.8003 20.8135 20.8135 k = 0.0000 0.1475-0.0000 ( 647 PWs) bands (ev): -27.7408 -27.7408 -8.0731 -8.0731 -7.4841 -7.4841 -7.2825 -7.2825 10.1872 10.1872 13.9652 13.9652 14.4492 14.4492 20.7204 20.7204 20.7336 20.7336 k = 0.0000 0.1557-0.0000 ( 647 PWs) bands (ev): -27.7317 -27.7317 -8.1226 -8.1226 -7.4852 -7.4852 -7.2774 -7.2774 10.2554 10.2554 13.9873 13.9873 14.5205 14.5205 20.6389 20.6389 20.6521 20.6521 k = 0.0000 0.1639-0.0000 ( 655 PWs) bands (ev): -27.7224 -27.7224 -8.1747 -8.1747 -7.4854 -7.4854 -7.2722 -7.2722 10.3259 10.3259 14.0104 14.0104 14.5935 14.5935 20.5559 20.5559 20.5691 20.5691 k = 0.0000 0.1721-0.0000 ( 655 PWs) bands (ev): -27.7126 -27.7126 -8.2287 -8.2287 -7.4846 -7.4846 -7.2667 -7.2667 10.3988 10.3988 14.0344 14.0344 14.6685 14.6685 20.4720 20.4720 20.4850 20.4850 k = 0.0000 0.1803-0.0000 ( 655 PWs) bands (ev): -27.7026 -27.7026 -8.2844 -8.2844 -7.4831 -7.4831 -7.2611 -7.2611 10.4740 10.4740 14.0592 14.0592 14.7449 14.7449 20.3872 20.3872 20.4002 20.4002 k = 0.0000 0.1885-0.0000 ( 655 PWs) bands (ev): -27.6922 -27.6922 -8.3417 -8.3417 -7.4810 -7.4810 -7.2554 -7.2554 10.5512 10.5512 14.0848 14.0848 14.8222 14.8222 20.3019 20.3019 20.3148 20.3148 k = 0.0000 0.1967-0.0000 ( 655 PWs) bands (ev): -27.6817 -27.6817 -8.4002 -8.4002 -7.4783 -7.4783 -7.2495 -7.2495 10.6304 10.6304 14.1111 14.1111 14.9000 14.9000 20.2162 20.2162 20.2290 20.2291 k = 0.0000 0.2049-0.0000 ( 655 PWs) bands (ev): -27.6709 -27.6709 -8.4599 -8.4599 -7.4751 -7.4751 -7.2435 -7.2435 10.7115 10.7115 14.1381 14.1381 14.9778 14.9778 20.1305 20.1305 20.1433 20.1433 k = 0.0000 0.2131-0.0000 ( 655 PWs) bands (ev): -27.6599 -27.6599 -8.5203 -8.5203 -7.4714 -7.4714 -7.2374 -7.2374 10.7944 10.7944 14.1657 14.1657 15.0553 15.0553 20.0450 20.0450 20.0576 20.0576 k = 0.0000 0.2213-0.0000 ( 655 PWs) bands (ev): -27.6487 -27.6487 -8.5813 -8.5813 -7.4675 -7.4675 -7.2312 -7.2312 10.8789 10.8789 14.1938 14.1938 15.1318 15.1318 19.9599 19.9599 19.9724 19.9724 k = 0.0000 0.2295-0.0000 ( 655 PWs) bands (ev): -27.6375 -27.6375 -8.6427 -8.6427 -7.4632 -7.4632 -7.2250 -7.2250 10.9651 10.9651 14.2225 14.2225 15.2070 15.2070 19.8753 19.8753 19.8877 19.8877 k = 0.0000 0.2377-0.0000 ( 651 PWs) bands (ev): -27.6261 -27.6261 -8.7042 -8.7042 -7.4587 -7.4587 -7.2186 -7.2186 11.0527 11.0527 14.2515 14.2515 15.2801 15.2801 19.7917 19.7917 19.8039 19.8039 k = 0.0000 0.2459-0.0000 ( 647 PWs) bands (ev): -27.6146 -27.6146 -8.7657 -8.7657 -7.4539 -7.4539 -7.2123 -7.2123 11.1419 11.1419 14.2809 14.2809 15.3510 15.3510 19.7089 19.7089 19.7210 19.7210 k = 0.0000 0.2541-0.0000 ( 647 PWs) bands (ev): -27.6030 -27.6030 -8.8271 -8.8271 -7.4491 -7.4491 -7.2060 -7.2060 11.2323 11.2323 14.3106 14.3106 15.4187 15.4187 19.6272 19.6272 19.6392 19.6392 k = 0.0000 0.2623-0.0000 ( 647 PWs) bands (ev): -27.5915 -27.5915 -8.8881 -8.8881 -7.4440 -7.4440 -7.1996 -7.1996 11.3241 11.3241 14.3405 14.3405 15.4828 15.4828 19.5469 19.5469 19.5587 19.5587 k = 0.0000 0.2705-0.0000 ( 647 PWs) bands (ev): -27.5800 -27.5800 -8.9486 -8.9486 -7.4389 -7.4389 -7.1933 -7.1933 11.4171 11.4171 14.3706 14.3706 15.5428 15.5428 19.4680 19.4680 19.4797 19.4797 k = 0.0000 0.2787-0.0000 ( 647 PWs) bands (ev): -27.5685 -27.5685 -9.0084 -9.0084 -7.4338 -7.4338 -7.1870 -7.1870 11.5112 11.5112 14.4006 14.4006 15.5982 15.5982 19.3907 19.3907 19.4023 19.4023 k = 0.0000 0.2869-0.0000 ( 647 PWs) bands (ev): -27.5570 -27.5570 -9.0674 -9.0674 -7.4285 -7.4285 -7.1807 -7.1807 11.6063 11.6063 14.4307 14.4307 15.6484 15.6484 19.3152 19.3152 19.3266 19.3266 k = 0.0000 0.2951-0.0000 ( 647 PWs) bands (ev): -27.5457 -27.5457 -9.1254 -9.1254 -7.4233 -7.4233 -7.1746 -7.1746 11.7025 11.7025 14.4607 14.4607 15.6931 15.6931 19.2415 19.2415 19.2528 19.2528 k = 0.0000 0.3033-0.0000 ( 639 PWs) bands (ev): -27.5345 -27.5345 -9.1820 -9.1820 -7.4180 -7.4180 -7.1684 -7.1684 11.7996 11.7996 14.4905 14.4905 15.7318 15.7318 19.1701 19.1701 19.1812 19.1812 k = 0.0000 0.3115-0.0000 ( 639 PWs) bands (ev): -27.5235 -27.5235 -9.2376 -9.2376 -7.4128 -7.4128 -7.1624 -7.1624 11.8975 11.8975 14.5199 14.5199 15.7641 15.7641 19.1006 19.1006 19.1115 19.1115 k = 0.0000 0.3197-0.0000 ( 639 PWs) bands (ev): -27.5127 -27.5127 -9.2918 -9.2918 -7.4076 -7.4076 -7.1565 -7.1565 11.9962 11.9962 14.5490 14.5490 15.7897 15.7897 19.0332 19.0332 19.0441 19.0441 k = 0.0000 0.3279-0.0000 ( 639 PWs) bands (ev): -27.5021 -27.5021 -9.3444 -9.3444 -7.4026 -7.4026 -7.1508 -7.1508 12.0955 12.0955 14.5777 14.5777 15.8085 15.8085 18.9682 18.9682 18.9789 18.9789 k = 0.0000 0.3361-0.0000 ( 638 PWs) bands (ev): -27.4918 -27.4918 -9.3954 -9.3954 -7.3976 -7.3976 -7.1452 -7.1452 12.1953 12.1953 14.6058 14.6058 15.8203 15.8203 18.9057 18.9057 18.9162 18.9162 k = 0.0000 0.3443-0.0000 ( 638 PWs) bands (ev): -27.4817 -27.4817 -9.4446 -9.4446 -7.3927 -7.3927 -7.1397 -7.1397 12.2956 12.2956 14.6333 14.6333 15.8249 15.8249 18.8456 18.8456 18.8560 18.8560 k = 0.0000 0.3525-0.0000 ( 638 PWs) bands (ev): -27.4720 -27.4720 -9.4919 -9.4919 -7.3880 -7.3880 -7.1345 -7.1345 12.3961 12.3961 14.6600 14.6600 15.8225 15.8225 18.7881 18.7881 18.7984 18.7984 k = 0.0000 0.3607-0.0000 ( 638 PWs) bands (ev): -27.4626 -27.4626 -9.5373 -9.5373 -7.3835 -7.3835 -7.1294 -7.1294 12.4968 12.4968 14.6860 14.6860 15.8132 15.8132 18.7334 18.7334 18.7435 18.7435 k = 0.0000 0.3689-0.0000 ( 638 PWs) bands (ev): -27.4536 -27.4536 -9.5806 -9.5806 -7.3791 -7.3791 -7.1245 -7.1245 12.5975 12.5975 14.7110 14.7110 15.7970 15.7970 18.6813 18.6813 18.6913 18.6913 k = 0.0000 0.3770-0.0000 ( 638 PWs) bands (ev): -27.4450 -27.4450 -9.6218 -9.6218 -7.3748 -7.3748 -7.1199 -7.1199 12.6979 12.6979 14.7350 14.7350 15.7744 15.7744 18.6321 18.6321 18.6420 18.6420 k = 0.0000 0.3852-0.0000 ( 630 PWs) bands (ev): -27.4368 -27.4368 -9.6605 -9.6605 -7.3707 -7.3707 -7.1154 -7.1154 12.7978 12.7978 14.7581 14.7581 15.7457 15.7457 18.5860 18.5860 18.5958 18.5958 k = 0.0000 0.3934-0.0000 ( 630 PWs) bands (ev): -27.4290 -27.4290 -9.6971 -9.6971 -7.3669 -7.3669 -7.1112 -7.1112 12.8969 12.8969 14.7799 14.7799 15.7114 15.7114 18.5426 18.5426 18.5523 18.5523 k = 0.0000 0.4016-0.0000 ( 630 PWs) bands (ev): -27.4218 -27.4218 -9.7312 -9.7312 -7.3633 -7.3633 -7.1073 -7.1073 12.9949 12.9949 14.8004 14.8004 15.6720 15.6720 18.5023 18.5023 18.5118 18.5118 k = 0.0000 0.4098-0.0000 ( 630 PWs) bands (ev): -27.4150 -27.4150 -9.7629 -9.7629 -7.3600 -7.3600 -7.1037 -7.1037 13.0914 13.0914 14.8197 14.8197 15.6282 15.6282 18.4649 18.4649 18.4743 18.4743 k = 0.0000 0.4180-0.0000 ( 626 PWs) bands (ev): -27.4087 -27.4087 -9.7919 -9.7919 -7.3569 -7.3569 -7.1003 -7.1003 13.1859 13.1859 14.8375 14.8375 15.5807 15.5807 18.4308 18.4308 18.4401 18.4401 k = 0.0000 0.4262-0.0000 ( 626 PWs) bands (ev): -27.4030 -27.4030 -9.8185 -9.8185 -7.3541 -7.3541 -7.0973 -7.0973 13.2777 13.2777 14.8539 14.8539 15.5304 15.5304 18.3997 18.3997 18.4089 18.4089 k = 0.0000 0.4344-0.0000 ( 634 PWs) bands (ev): -27.3979 -27.3979 -9.8424 -9.8424 -7.3517 -7.3517 -7.0947 -7.0947 13.3660 13.3660 14.8683 14.8683 15.4783 15.4783 18.3717 18.3717 18.3809 18.3809 k = 0.0000 0.4426-0.0000 ( 634 PWs) bands (ev): -27.3933 -27.3933 -9.8636 -9.8636 -7.3494 -7.3494 -7.0922 -7.0922 13.4500 13.4500 14.8815 14.8815 15.4257 15.4257 18.3470 18.3470 18.3561 18.3561 k = 0.0000 0.4508-0.0000 ( 634 PWs) bands (ev): -27.3893 -27.3893 -9.8821 -9.8821 -7.3475 -7.3475 -7.0901 -7.0901 13.5285 13.5285 14.8931 14.8931 15.3740 15.3740 18.3255 18.3255 18.3345 18.3345 k = 0.0000 0.4590-0.0000 ( 634 PWs) bands (ev): -27.3859 -27.3859 -9.8977 -9.8977 -7.3458 -7.3458 -7.0882 -7.0882 13.5999 13.5999 14.9029 14.9029 15.3247 15.3247 18.3073 18.3073 18.3163 18.3163 k = 0.0000 0.4672-0.0000 ( 634 PWs) bands (ev): -27.3830 -27.3830 -9.9106 -9.9106 -7.3444 -7.3444 -7.0867 -7.0867 13.6627 13.6627 14.9111 14.9111 15.2799 15.2799 18.2923 18.2923 18.3013 18.3013 k = 0.0000 0.4754-0.0000 ( 638 PWs) bands (ev): -27.3809 -27.3809 -9.9207 -9.9207 -7.3433 -7.3433 -7.0856 -7.0856 13.7147 13.7147 14.9174 14.9174 15.2416 15.2416 18.2806 18.2806 18.2895 18.2895 k = 0.0000 0.4836-0.0000 ( 642 PWs) bands (ev): -27.3793 -27.3793 -9.9281 -9.9281 -7.3426 -7.3426 -7.0848 -7.0848 13.7538 13.7538 14.9219 14.9219 15.2121 15.2121 18.2722 18.2722 18.2810 18.2810 k = 0.0000 0.4918-0.0000 ( 642 PWs) bands (ev): -27.3784 -27.3784 -9.9324 -9.9324 -7.3421 -7.3421 -7.0843 -7.0843 13.7782 13.7782 14.9247 14.9247 15.1935 15.1935 18.2672 18.2672 18.2760 18.2760 k = 0.0000 0.5000-0.0000 ( 642 PWs) bands (ev): -27.3780 -27.3780 -9.9338 -9.9338 -7.3420 -7.3420 -7.0841 -7.0841 13.7866 13.7866 14.9256 14.9256 15.1871 15.1871 18.2655 18.2655 18.2744 18.2744 k = 0.0000 0.5000-0.0000 ( 642 PWs) bands (ev): -27.3780 -27.3780 -9.9338 -9.9338 -7.3420 -7.3420 -7.0841 -7.0841 13.7866 13.7866 14.9256 14.9256 15.1871 15.1871 18.2655 18.2655 18.2744 18.2744 k = 0.0082 0.5000-0.0000 ( 642 PWs) bands (ev): -27.3778 -27.3778 -9.9335 -9.9335 -7.3427 -7.3427 -7.0849 -7.0849 13.7892 13.7892 14.9276 14.9276 15.1820 15.1820 18.2672 18.2672 18.2765 18.2765 k = 0.0164 0.5000-0.0000 ( 642 PWs) bands (ev): -27.3770 -27.3770 -9.9326 -9.9326 -7.3450 -7.3450 -7.0872 -7.0872 13.7969 13.7969 14.9335 14.9335 15.1671 15.1671 18.2704 18.2704 18.2847 18.2847 k = 0.0246 0.5000-0.0000 ( 638 PWs) bands (ev): -27.3757 -27.3757 -9.9311 -9.9311 -7.3488 -7.3488 -7.0907 -7.0907 13.8096 13.8096 14.9436 14.9436 15.1423 15.1423 18.2736 18.2736 18.3003 18.3003 k = 0.0328 0.5000-0.0000 ( 636 PWs) bands (ev): -27.3738 -27.3738 -9.9290 -9.9290 -7.3546 -7.3546 -7.0955 -7.0955 13.8273 13.8273 14.9577 14.9577 15.1083 15.1083 18.2773 18.2773 18.3225 18.3225 k = 0.0410 0.5000-0.0000 ( 636 PWs) bands (ev): -27.3715 -27.3715 -9.9264 -9.9264 -7.3623 -7.3623 -7.1013 -7.1013 13.8497 13.8497 14.9759 14.9759 15.0654 15.0654 18.2818 18.2818 18.3504 18.3504 k = 0.0492 0.5000-0.0000 ( 636 PWs) bands (ev): -27.3687 -27.3687 -9.9232 -9.9232 -7.3724 -7.3724 -7.1076 -7.1076 13.8766 13.8766 14.9982 14.9982 15.0145 15.0145 18.2872 18.2872 18.3836 18.3836 k = 0.0574 0.5000-0.0000 ( 632 PWs) bands (ev): -27.3653 -27.3653 -9.9192 -9.9192 -7.3851 -7.3851 -7.1141 -7.1141 13.9077 13.9077 14.9549 14.9549 15.0261 15.0261 18.2937 18.2937 18.4216 18.4216 k = 0.0656 0.5000-0.0000 ( 632 PWs) bands (ev): -27.3615 -27.3615 -9.9149 -9.9149 -7.4007 -7.4007 -7.1204 -7.1204 13.9426 13.9426 14.8890 14.8890 15.0582 15.0582 18.3009 18.3009 18.4639 18.4639 k = 0.0738 0.5000-0.0000 ( 632 PWs) bands (ev): -27.3571 -27.3571 -9.9100 -9.9100 -7.4194 -7.4194 -7.1264 -7.1264 13.9809 13.9809 14.8166 14.8166 15.0954 15.0954 18.3090 18.3090 18.5098 18.5098 k = 0.0820 0.5000-0.0000 ( 636 PWs) bands (ev): -27.3523 -27.3523 -9.9046 -9.9046 -7.4415 -7.4415 -7.1317 -7.1317 14.0221 14.0221 14.7384 14.7384 15.1379 15.1379 18.3181 18.3181 18.5590 18.5590 k = 0.0902 0.5000-0.0000 ( 636 PWs) bands (ev): -27.3471 -27.3471 -9.8986 -9.8986 -7.4668 -7.4668 -7.1360 -7.1360 14.0659 14.0659 14.6551 14.6551 15.1862 15.1862 18.3280 18.3280 18.6111 18.6111 k = 0.0984 0.5000-0.0000 ( 632 PWs) bands (ev): -27.3413 -27.3413 -9.8921 -9.8921 -7.4954 -7.4954 -7.1393 -7.1393 14.1118 14.1118 14.5673 14.5673 15.2407 15.2407 18.3388 18.3388 18.6656 18.6656 k = 0.1066 0.5000-0.0000 ( 636 PWs) bands (ev): -27.3352 -27.3352 -9.8853 -9.8853 -7.5274 -7.5274 -7.1417 -7.1417 14.1592 14.1592 14.4755 14.4755 15.3013 15.3013 18.3504 18.3504 18.7220 18.7220 k = 0.1148 0.5000-0.0000 ( 636 PWs) bands (ev): -27.3286 -27.3286 -9.8778 -9.8778 -7.5623 -7.5623 -7.1432 -7.1432 14.2076 14.2076 14.3802 14.3802 15.3684 15.3684 18.3628 18.3628 18.7804 18.7804 k = 0.1230 0.5000-0.0000 ( 634 PWs) bands (ev): -27.3216 -27.3216 -9.8699 -9.8699 -7.6000 -7.6000 -7.1438 -7.1438 14.2555 14.2555 14.2833 14.2833 15.4425 15.4425 18.3761 18.3761 18.8404 18.8404 k = 0.1311 0.5000-0.0000 ( 634 PWs) bands (ev): -27.3142 -27.3142 -9.8616 -9.8616 -7.6404 -7.6404 -7.1436 -7.1436 14.1806 14.1806 14.3070 14.3070 15.5232 15.5232 18.3900 18.3901 18.9016 18.9016 k = 0.1393 0.5000-0.0000 ( 636 PWs) bands (ev): -27.3064 -27.3064 -9.8529 -9.8529 -7.6832 -7.6832 -7.1428 -7.1428 14.0778 14.0778 14.3565 14.3565 15.6109 15.6109 18.4048 18.4048 18.9639 18.9639 k = 0.1475 0.5000-0.0000 ( 636 PWs) bands (ev): -27.2983 -27.2983 -9.8438 -9.8438 -7.7282 -7.7282 -7.1413 -7.1413 13.9731 13.9731 14.4059 14.4059 15.7055 15.7055 18.4202 18.4202 19.0272 19.0272 k = 0.1557 0.5000-0.0000 ( 632 PWs) bands (ev): -27.2898 -27.2898 -9.8342 -9.8342 -7.7751 -7.7751 -7.1391 -7.1391 13.8672 13.8672 14.4551 14.4551 15.8069 15.8069 18.4363 18.4363 19.0913 19.0913 k = 0.1639 0.5000-0.0000 ( 632 PWs) bands (ev): -27.2811 -27.2811 -9.8244 -9.8244 -7.8239 -7.8239 -7.1366 -7.1366 13.7602 13.7602 14.5038 14.5038 15.9148 15.9148 18.4531 18.4531 19.1561 19.1561 k = 0.1721 0.5000-0.0000 ( 632 PWs) bands (ev): -27.2720 -27.2720 -9.8142 -9.8142 -7.8742 -7.8742 -7.1336 -7.1336 13.6524 13.6524 14.5520 14.5520 16.0292 16.0292 18.4704 18.4704 19.2215 19.2215 k = 0.1803 0.5000-0.0000 ( 632 PWs) bands (ev): -27.2626 -27.2626 -9.8037 -9.8037 -7.9259 -7.9259 -7.1303 -7.1303 13.5443 13.5443 14.5998 14.5998 16.1496 16.1496 18.4883 18.4883 19.2874 19.2874 k = 0.1885 0.5000-0.0000 ( 632 PWs) bands (ev): -27.2530 -27.2530 -9.7929 -9.7929 -7.9787 -7.9787 -7.1266 -7.1266 13.4360 13.4360 14.6472 14.6472 16.2758 16.2758 18.5067 18.5067 19.3537 19.3537 k = 0.1967 0.5000-0.0000 ( 628 PWs) bands (ev): -27.2432 -27.2432 -9.7819 -9.7819 -8.0325 -8.0325 -7.1225 -7.1225 13.3279 13.3279 14.6941 14.6941 16.4074 16.4074 18.5257 18.5257 19.4204 19.4204 k = 0.2049 0.5000-0.0000 ( 628 PWs) bands (ev): -27.2331 -27.2331 -9.7707 -9.7707 -8.0871 -8.0871 -7.1183 -7.1183 13.2202 13.2202 14.7406 14.7406 16.5440 16.5440 18.5450 18.5450 19.4873 19.4873 k = 0.2131 0.5000-0.0000 ( 632 PWs) bands (ev): -27.2229 -27.2229 -9.7593 -9.7593 -8.1423 -8.1423 -7.1140 -7.1140 13.1131 13.1131 14.7867 14.7867 16.6852 16.6852 18.5647 18.5647 19.5546 19.5546 k = 0.2213 0.5000-0.0000 ( 628 PWs) bands (ev): -27.2126 -27.2126 -9.7478 -9.7478 -8.1978 -8.1978 -7.1094 -7.1094 13.0068 13.0068 14.8326 14.8326 16.8309 16.8309 18.5848 18.5848 19.6220 19.6220 k = 0.2295 0.5000-0.0000 ( 628 PWs) bands (ev): -27.2021 -27.2021 -9.7361 -9.7361 -8.2537 -8.2537 -7.1046 -7.1046 12.9016 12.9016 14.8782 14.8782 16.9804 16.9804 18.6051 18.6051 19.6895 19.6895 k = 0.2377 0.5000-0.0000 ( 628 PWs) bands (ev): -27.1915 -27.1915 -9.7244 -9.7244 -8.3097 -8.3097 -7.0997 -7.0997 12.7976 12.7976 14.9235 14.9235 17.1333 17.1333 18.6257 18.6258 19.7572 19.7572 k = 0.2459 0.5000-0.0000 ( 628 PWs) bands (ev): -27.1808 -27.1808 -9.7127 -9.7127 -8.3657 -8.3657 -7.0946 -7.0946 12.6950 12.6950 14.9686 14.9686 17.2894 17.2894 18.6466 18.6466 19.8249 19.8249 k = 0.2541 0.5000-0.0000 ( 628 PWs) bands (ev): -27.1701 -27.1701 -9.7009 -9.7009 -8.4213 -8.4213 -7.0895 -7.0895 12.5941 12.5941 15.0134 15.0134 17.4482 17.4482 18.6675 18.6675 19.8925 19.8925 k = 0.2623 0.5000-0.0000 ( 628 PWs) bands (ev): -27.1594 -27.1594 -9.6892 -9.6892 -8.4766 -8.4766 -7.0844 -7.0844 12.4949 12.4949 15.0580 15.0580 17.6094 17.6094 18.6885 18.6885 19.9600 19.9600 k = 0.2705 0.5000-0.0000 ( 624 PWs) bands (ev): -27.1486 -27.1486 -9.6775 -9.6775 -8.5312 -8.5312 -7.0792 -7.0792 12.3978 12.3978 15.1023 15.1023 17.7726 17.7726 18.7096 18.7096 20.0274 20.0274 k = 0.2787 0.5000-0.0000 ( 624 PWs) bands (ev): -27.1380 -27.1380 -9.6660 -9.6660 -8.5852 -8.5852 -7.0740 -7.0740 12.3026 12.3026 15.1463 15.1463 17.9373 17.9373 18.7307 18.7307 20.0942 20.0943 k = 0.2869 0.5000-0.0000 ( 624 PWs) bands (ev): -27.1274 -27.1274 -9.6546 -9.6546 -8.6384 -8.6384 -7.0688 -7.0688 12.2098 12.2098 15.1899 15.1899 18.1032 18.1032 18.7516 18.7516 20.0330 20.0330 k = 0.2951 0.5000-0.0000 ( 630 PWs) bands (ev): -27.1169 -27.1169 -9.6435 -9.6435 -8.6908 -8.6908 -7.0636 -7.0636 12.1192 12.1192 15.2330 15.2330 18.2698 18.2698 18.7724 18.7724 19.9676 19.9676 k = 0.3033 0.5000-0.0000 ( 630 PWs) bands (ev): -27.1065 -27.1065 -9.6326 -9.6326 -8.7418 -8.7418 -7.0585 -7.0585 12.0312 12.0312 15.2756 15.2756 18.4369 18.4369 18.7930 18.7930 19.9039 19.9039 k = 0.3115 0.5000-0.0000 ( 628 PWs) bands (ev): -27.0963 -27.0963 -9.6221 -9.6221 -8.7915 -8.7915 -7.0534 -7.0534 11.9459 11.9459 15.3177 15.3177 18.6042 18.6042 18.8134 18.8134 19.8420 19.8420 k = 0.3197 0.5000-0.0000 ( 636 PWs) bands (ev): -27.0863 -27.0863 -9.6121 -9.6121 -8.8399 -8.8399 -7.0485 -7.0485 11.8631 11.8631 15.3590 15.3590 18.7710 18.7710 18.8333 18.8333 19.7818 19.7818 k = 0.3279 0.5000-0.0000 ( 636 PWs) bands (ev): -27.0764 -27.0764 -9.6023 -9.6023 -8.8866 -8.8866 -7.0436 -7.0436 11.7834 11.7834 15.3997 15.3997 18.8529 18.8529 18.9370 18.9370 19.7236 19.7236 k = 0.3361 0.5000-0.0000 ( 636 PWs) bands (ev): -27.0669 -27.0669 -9.5930 -9.5930 -8.9317 -8.9317 -7.0388 -7.0388 11.7067 11.7067 15.4395 15.4395 18.8722 18.8722 19.1018 19.1018 19.6674 19.6674 k = 0.3443 0.5000-0.0000 ( 636 PWs) bands (ev): -27.0576 -27.0576 -9.5843 -9.5843 -8.9748 -8.9748 -7.0341 -7.0341 11.6331 11.6331 15.4784 15.4784 18.8909 18.8909 19.2650 19.2650 19.6134 19.6134 k = 0.3525 0.5000-0.0000 ( 636 PWs) bands (ev): -27.0485 -27.0485 -9.5762 -9.5762 -9.0160 -9.0160 -7.0296 -7.0296 11.5626 11.5626 15.5163 15.5163 18.9091 18.9091 19.4261 19.4261 19.5617 19.5617 k = 0.3607 0.5000-0.0000 ( 636 PWs) bands (ev): -27.0398 -27.0398 -9.5688 -9.5688 -9.0550 -9.0550 -7.0252 -7.0252 11.4955 11.4955 15.5529 15.5529 18.9267 18.9267 19.5121 19.5121 19.5849 19.5849 k = 0.3689 0.5000-0.0000 ( 640 PWs) bands (ev): -27.0315 -27.0315 -9.5623 -9.5623 -9.0919 -9.0919 -7.0211 -7.0211 11.4317 11.4317 15.5883 15.5883 18.9435 18.9435 19.4651 19.4651 19.7405 19.7405 k = 0.3770 0.5000-0.0000 ( 640 PWs) bands (ev): -27.0235 -27.0235 -9.5566 -9.5566 -9.1262 -9.1262 -7.0171 -7.0171 11.3713 11.3713 15.6224 15.6224 18.9597 18.9597 19.4206 19.4206 19.8926 19.8926 k = 0.3852 0.5000-0.0000 ( 636 PWs) bands (ev): -27.0159 -27.0159 -9.5518 -9.5518 -9.1578 -9.1578 -7.0132 -7.0132 11.3146 11.3146 15.6549 15.6549 18.9752 18.9752 19.3788 19.3788 20.0409 20.0409 k = 0.3934 0.5000-0.0000 ( 636 PWs) bands (ev): -27.0088 -27.0088 -9.5482 -9.5482 -9.1868 -9.1868 -7.0096 -7.0096 11.2614 11.2614 15.6858 15.6858 18.9898 18.9898 19.3395 19.3395 20.1845 20.1845 k = 0.4016 0.5000-0.0000 ( 640 PWs) bands (ev): -27.0021 -27.0021 -9.5457 -9.5457 -9.2131 -9.2131 -7.0062 -7.0062 11.2117 11.2117 15.7149 15.7149 19.0035 19.0035 19.3028 19.3028 20.3230 20.3230 k = 0.4098 0.5000-0.0000 ( 640 PWs) bands (ev): -26.9958 -26.9958 -9.5444 -9.5444 -9.2364 -9.2364 -7.0031 -7.0031 11.1660 11.1660 15.7423 15.7423 19.0164 19.0164 19.2688 19.2688 20.4558 20.4558 k = 0.4180 0.5000-0.0000 ( 640 PWs) bands (ev): -26.9900 -26.9900 -9.5443 -9.5443 -9.2566 -9.2566 -7.0002 -7.0002 11.1240 11.1240 15.7676 15.7676 19.0282 19.0282 19.2377 19.2377 20.5821 20.5821 k = 0.4262 0.5000-0.0000 ( 640 PWs) bands (ev): -26.9847 -26.9847 -9.5453 -9.5453 -9.2739 -9.2739 -6.9975 -6.9975 11.0858 11.0858 15.7910 15.7910 19.0391 19.0391 19.2094 19.2094 20.7010 20.7010 k = 0.4344 0.5000-0.0000 ( 640 PWs) bands (ev): -26.9799 -26.9799 -9.5473 -9.5473 -9.2884 -9.2884 -6.9951 -6.9951 11.0515 11.0515 15.8121 15.8121 19.0489 19.0489 19.1840 19.1840 20.8115 20.8115 k = 0.4426 0.5000-0.0000 ( 640 PWs) bands (ev): -26.9757 -26.9757 -9.5500 -9.5500 -9.3002 -9.3002 -6.9930 -6.9930 11.0212 11.0212 15.8310 15.8310 19.0576 19.0576 19.1615 19.1615 20.9127 20.9127 k = 0.4508 0.5000-0.0000 ( 640 PWs) bands (ev): -26.9720 -26.9720 -9.5533 -9.5533 -9.3097 -9.3097 -6.9911 -6.9911 10.9948 10.9948 15.8476 15.8476 19.0651 19.0651 19.1420 19.1420 21.0030 21.0030 k = 0.4590 0.5000-0.0000 ( 636 PWs) bands (ev): -26.9688 -26.9688 -9.5567 -9.5567 -9.3170 -9.3170 -6.9894 -6.9894 10.9725 10.9725 15.8618 15.8618 19.0718 19.0718 19.1255 19.1255 21.0809 21.0809 k = 0.4672 0.5000-0.0000 ( 636 PWs) bands (ev): -26.9662 -26.9662 -9.5600 -9.5600 -9.3225 -9.3225 -6.9881 -6.9881 10.9541 10.9541 15.8735 15.8735 19.0769 19.0769 19.1121 19.1121 21.1444 21.1444 k = 0.4754 0.5000-0.0000 ( 636 PWs) bands (ev): -26.9642 -26.9642 -9.5630 -9.5630 -9.3265 -9.3265 -6.9870 -6.9870 10.9399 10.9399 15.8826 15.8826 19.0806 19.0806 19.1019 19.1019 21.1919 21.1919 k = 0.4836 0.5000-0.0000 ( 636 PWs) bands (ev): -26.9627 -26.9627 -9.5652 -9.5652 -9.3291 -9.3291 -6.9863 -6.9863 10.9296 10.9296 15.8892 15.8892 19.0825 19.0825 19.0954 19.0954 21.2231 21.2231 k = 0.4918 0.5000-0.0000 ( 632 PWs) bands (ev): -26.9618 -26.9618 -9.5666 -9.5666 -9.3306 -9.3306 -6.9858 -6.9858 10.9235 10.9235 15.8932 15.8932 19.0826 19.0826 19.0928 19.0928 21.2401 21.2401 k = 0.5000 0.5000-0.0000 ( 624 PWs) bands (ev): -26.9615 -26.9615 -9.5670 -9.5670 -9.3310 -9.3310 -6.9855 -6.9855 10.9216 10.9216 15.8946 15.8946 19.0824 19.0824 19.0924 19.0924 21.2454 21.2454 k = 0.5000 0.5000-0.0000 ( 624 PWs) bands (ev): -26.9615 -26.9615 -9.5670 -9.5670 -9.3310 -9.3310 -6.9855 -6.9855 10.9216 10.9216 15.8946 15.8946 19.0824 19.0824 19.0924 19.0924 21.2454 21.2454 k = 0.4941 0.4941-0.0000 ( 632 PWs) bands (ev): -26.9618 -26.9618 -9.5666 -9.5666 -9.3306 -9.3306 -6.9858 -6.9858 10.9236 10.9236 15.8931 15.8931 19.0827 19.0827 19.0927 19.0927 21.2400 21.2400 k = 0.4882 0.4882-0.0000 ( 636 PWs) bands (ev): -26.9627 -26.9627 -9.5651 -9.5651 -9.3291 -9.3291 -6.9864 -6.9864 10.9300 10.9300 15.8890 15.8890 19.0839 19.0839 19.0941 19.0941 21.2237 21.2237 k = 0.4824 0.4824-0.0000 ( 636 PWs) bands (ev): -26.9642 -26.9642 -9.5626 -9.5626 -9.3265 -9.3265 -6.9871 -6.9871 10.9405 10.9405 15.8823 15.8823 19.0859 19.0859 19.0969 19.0969 21.1966 21.1966 k = 0.4765 0.4765-0.0000 ( 636 PWs) bands (ev): -26.9663 -26.9663 -9.5590 -9.5590 -9.3229 -9.3229 -6.9882 -6.9882 10.9551 10.9551 15.8728 15.8728 19.0883 19.0883 19.1011 19.1011 21.1586 21.1586 k = 0.4706 0.4706-0.0000 ( 636 PWs) bands (ev): -26.9690 -26.9690 -9.5545 -9.5545 -9.3183 -9.3183 -6.9895 -6.9895 10.9739 10.9739 15.8606 15.8606 19.0910 19.0910 19.1069 19.1069 21.1100 21.1100 k = 0.4647 0.4647-0.0000 ( 636 PWs) bands (ev): -26.9723 -26.9723 -9.5490 -9.5490 -9.3126 -9.3126 -6.9912 -6.9912 10.9968 10.9968 15.8458 15.8458 19.0940 19.0940 19.1144 19.1144 21.0513 21.0513 k = 0.4588 0.4588-0.0000 ( 636 PWs) bands (ev): -26.9762 -26.9762 -9.5425 -9.5425 -9.3059 -9.3059 -6.9932 -6.9932 11.0237 11.0237 15.8284 15.8284 19.0974 19.0974 19.1234 19.1234 20.9834 20.9834 k = 0.4529 0.4529-0.0000 ( 636 PWs) bands (ev): -26.9806 -26.9806 -9.5350 -9.5350 -9.2982 -9.2982 -6.9954 -6.9954 11.0545 11.0545 15.8084 15.8084 19.1012 19.1012 19.1339 19.1339 20.9073 20.9073 k = 0.4471 0.4471-0.0000 ( 636 PWs) bands (ev): -26.9857 -26.9857 -9.5265 -9.5265 -9.2895 -9.2895 -6.9979 -6.9979 11.0892 11.0892 15.7858 15.7858 19.1055 19.1055 19.1459 19.1459 20.8239 20.8239 k = 0.4412 0.4412-0.0000 ( 636 PWs) bands (ev): -26.9913 -26.9913 -9.5170 -9.5170 -9.2797 -9.2797 -7.0007 -7.0007 11.1276 11.1276 15.7607 15.7607 19.1103 19.1103 19.1593 19.1593 20.7342 20.7342 k = 0.4353 0.4353-0.0000 ( 636 PWs) bands (ev): -26.9974 -26.9974 -9.5066 -9.5066 -9.2688 -9.2688 -7.0038 -7.0038 11.1697 11.1697 15.7333 15.7333 19.1157 19.1157 19.1742 19.1742 20.6391 20.6391 k = 0.4294 0.4294-0.0000 ( 632 PWs) bands (ev): -27.0041 -27.0041 -9.4951 -9.4951 -9.2569 -9.2569 -7.0072 -7.0072 11.2153 11.2153 15.7035 15.7035 19.1218 19.1218 19.1904 19.1904 20.5393 20.5393 k = 0.4235 0.4235-0.0000 ( 632 PWs) bands (ev): -27.0113 -27.0113 -9.4827 -9.4827 -9.2440 -9.2440 -7.0109 -7.0109 11.2642 11.2642 15.6714 15.6714 19.1284 19.1284 19.2080 19.2080 20.4353 20.4353 k = 0.4176 0.4176-0.0000 ( 628 PWs) bands (ev): -27.0191 -27.0191 -9.4693 -9.4693 -9.2300 -9.2300 -7.0147 -7.0147 11.3163 11.3163 15.6372 15.6372 19.1360 19.1360 19.2270 19.2270 20.3277 20.3277 k = 0.4118 0.4118-0.0000 ( 628 PWs) bands (ev): -27.0274 -27.0274 -9.4551 -9.4551 -9.2150 -9.2150 -7.0189 -7.0189 11.3714 11.3714 15.6009 15.6009 19.1440 19.1440 19.2473 19.2473 20.2169 20.2169 k = 0.4059 0.4059-0.0000 ( 628 PWs) bands (ev): -27.0362 -27.0362 -9.4399 -9.4399 -9.1990 -9.1990 -7.0234 -7.0234 11.4292 11.4292 15.5627 15.5627 19.1529 19.1529 19.2689 19.2689 20.1032 20.1032 k = 0.4000 0.4000-0.0000 ( 628 PWs) bands (ev): -27.0455 -27.0455 -9.4238 -9.4238 -9.1820 -9.1820 -7.0281 -7.0281 11.4894 11.4894 15.5227 15.5227 19.1625 19.1625 19.2918 19.2918 19.9871 19.9872 k = 0.3941 0.3941-0.0000 ( 628 PWs) bands (ev): -27.0553 -27.0553 -9.4068 -9.4068 -9.1640 -9.1640 -7.0330 -7.0330 11.5520 11.5520 15.4811 15.4811 19.1729 19.1729 19.3160 19.3160 19.8689 19.8689 k = 0.3882 0.3882-0.0000 ( 632 PWs) bands (ev): -27.0655 -27.0655 -9.3890 -9.3890 -9.1450 -9.1450 -7.0382 -7.0382 11.6164 11.6164 15.4382 15.4382 19.1841 19.1841 19.3413 19.3413 19.7486 19.7486 k = 0.3824 0.3824-0.0000 ( 632 PWs) bands (ev): -27.0762 -27.0762 -9.3702 -9.3702 -9.1250 -9.1250 -7.0437 -7.0437 11.6824 11.6824 15.3940 15.3940 19.1963 19.1963 19.3680 19.3680 19.6267 19.6267 k = 0.3765 0.3765-0.0000 ( 632 PWs) bands (ev): -27.0874 -27.0874 -9.3505 -9.3505 -9.1040 -9.1040 -7.0493 -7.0493 11.7496 11.7496 15.3490 15.3490 19.2095 19.2095 19.3958 19.3959 19.5034 19.5034 k = 0.3706 0.3706-0.0000 ( 632 PWs) bands (ev): -27.0989 -27.0989 -9.3299 -9.3299 -9.0820 -9.0820 -7.0551 -7.0551 11.8175 11.8175 15.3033 15.3033 19.2236 19.2236 19.3783 19.3783 19.4253 19.4253 k = 0.3647 0.3647-0.0000 ( 632 PWs) bands (ev): -27.1109 -27.1109 -9.3085 -9.3085 -9.0591 -9.0591 -7.0612 -7.0612 11.8857 11.8857 15.2574 15.2574 19.2388 19.2388 19.2527 19.2527 19.4553 19.4553 k = 0.3588 0.3588-0.0000 ( 634 PWs) bands (ev): -27.1233 -27.1233 -9.2862 -9.2862 -9.0352 -9.0352 -7.0675 -7.0675 11.9536 11.9536 15.2116 15.2116 19.1260 19.1260 19.2549 19.2549 19.4864 19.4865 k = 0.3529 0.3529-0.0000 ( 634 PWs) bands (ev): -27.1360 -27.1360 -9.2631 -9.2631 -9.0104 -9.0104 -7.0739 -7.0739 12.0204 12.0204 15.1662 15.1662 18.9984 18.9984 19.2722 19.2722 19.4325 19.4325 k = 0.3471 0.3471-0.0000 ( 638 PWs) bands (ev): -27.1491 -27.1491 -9.2392 -9.2392 -8.9848 -8.9848 -7.0806 -7.0806 12.0856 12.0856 15.1218 15.1218 18.8701 18.8701 19.2904 19.2905 19.3309 19.3309 k = 0.3412 0.3412-0.0000 ( 634 PWs) bands (ev): -27.1625 -27.1625 -9.2143 -9.2143 -8.9581 -8.9581 -7.0874 -7.0874 12.1484 12.1484 15.0790 15.0790 18.7414 18.7414 19.2309 19.2309 19.3103 19.3104 k = 0.3353 0.3353-0.0000 ( 634 PWs) bands (ev): -27.1762 -27.1762 -9.1888 -9.1888 -8.9307 -8.9307 -7.0943 -7.0943 12.2080 12.2080 15.0382 15.0382 18.6123 18.6123 19.1334 19.1334 19.3311 19.3311 k = 0.3294 0.3294-0.0000 ( 634 PWs) bands (ev): -27.1902 -27.1902 -9.1624 -9.1624 -8.9024 -8.9024 -7.1014 -7.1014 12.2634 12.2634 15.0000 15.0000 18.4829 18.4829 19.0385 19.0385 19.3531 19.3531 k = 0.3235 0.3235-0.0000 ( 636 PWs) bands (ev): -27.2046 -27.2046 -9.1353 -9.1353 -8.8733 -8.8733 -7.1087 -7.1087 12.3138 12.3138 14.9650 14.9650 18.3532 18.3533 18.9469 18.9469 19.3763 19.3763 k = 0.3176 0.3176-0.0000 ( 636 PWs) bands (ev): -27.2191 -27.2191 -9.1074 -9.1074 -8.8435 -8.8435 -7.1160 -7.1160 12.3581 12.3581 14.9338 14.9338 18.2236 18.2237 18.8590 18.8590 19.4008 19.4008 k = 0.3118 0.3118-0.0000 ( 638 PWs) bands (ev): -27.2339 -27.2339 -9.0787 -9.0787 -8.8129 -8.8129 -7.1236 -7.1236 12.3953 12.3953 14.9069 14.9069 18.0941 18.0941 18.7755 18.7755 19.4266 19.4266 k = 0.3059 0.3059-0.0000 ( 638 PWs) bands (ev): -27.2489 -27.2489 -9.0494 -9.0494 -8.7816 -8.7816 -7.1312 -7.1312 12.4247 12.4247 14.8847 14.8847 17.9648 17.9648 18.6969 18.6969 19.4537 19.4537 k = 0.3000 0.3000-0.0000 ( 638 PWs) bands (ev): -27.2642 -27.2642 -9.0193 -9.0193 -8.7496 -8.7496 -7.1389 -7.1389 12.4455 12.4455 14.8675 14.8675 17.8358 17.8358 18.6238 18.6238 19.4821 19.4821 k = 0.2941 0.2941-0.0000 ( 636 PWs) bands (ev): -27.2795 -27.2795 -8.9885 -8.9885 -8.7169 -8.7169 -7.1466 -7.1466 12.4570 12.4570 14.8552 14.8552 17.7072 17.7072 18.5571 18.5571 19.5119 19.5120 k = 0.2882 0.2882-0.0000 ( 636 PWs) bands (ev): -27.2951 -27.2951 -8.9571 -8.9571 -8.6837 -8.6837 -7.1545 -7.1545 12.4589 12.4589 14.8477 14.8477 17.5791 17.5791 18.4973 18.4973 19.5431 19.5431 k = 0.2824 0.2824-0.0000 ( 634 PWs) bands (ev): -27.3107 -27.3107 -8.9251 -8.9251 -8.6498 -8.6498 -7.1623 -7.1623 12.4510 12.4510 14.8446 14.8446 17.4516 17.4516 18.4451 18.4451 19.5754 19.5755 k = 0.2765 0.2765-0.0000 ( 634 PWs) bands (ev): -27.3265 -27.3265 -8.8926 -8.8926 -8.6155 -8.6155 -7.1702 -7.1702 12.4335 12.4335 14.8448 14.8448 17.3248 17.3248 18.4014 18.4014 19.6093 19.6093 k = 0.2706 0.2706-0.0000 ( 634 PWs) bands (ev): -27.3424 -27.3424 -8.8594 -8.8594 -8.5807 -8.5807 -7.1782 -7.1782 12.4066 12.4066 14.8475 14.8475 17.1989 17.1989 18.3667 18.3667 19.6446 19.6446 k = 0.2647 0.2647-0.0000 ( 634 PWs) bands (ev): -27.3583 -27.3583 -8.8258 -8.8258 -8.5454 -8.5454 -7.1861 -7.1861 12.3710 12.3710 14.8516 14.8516 17.0738 17.0738 18.3418 18.3418 19.6812 19.6812 k = 0.2588 0.2588-0.0000 ( 634 PWs) bands (ev): -27.3743 -27.3743 -8.7916 -8.7916 -8.5097 -8.5097 -7.1941 -7.1941 12.3271 12.3271 14.8559 14.8559 16.9498 16.9498 18.3274 18.3274 19.7191 19.7191 k = 0.2529 0.2529-0.0000 ( 634 PWs) bands (ev): -27.3903 -27.3903 -8.7571 -8.7571 -8.4736 -8.4736 -7.2020 -7.2020 12.2758 12.2758 14.8593 14.8593 16.8268 16.8268 18.3238 18.3238 19.7584 19.7584 k = 0.2471 0.2471-0.0000 ( 634 PWs) bands (ev): -27.4063 -27.4063 -8.7221 -8.7221 -8.4373 -8.4373 -7.2100 -7.2100 12.2177 12.2177 14.8606 14.8606 16.7051 16.7051 18.3314 18.3314 19.7991 19.7991 k = 0.2412 0.2412-0.0000 ( 634 PWs) bands (ev): -27.4222 -27.4222 -8.6868 -8.6868 -8.4006 -8.4006 -7.2178 -7.2178 12.1537 12.1537 14.8591 14.8591 16.5846 16.5846 18.3504 18.3504 19.8410 19.8410 k = 0.2353 0.2353-0.0000 ( 636 PWs) bands (ev): -27.4382 -27.4382 -8.6513 -8.6513 -8.3638 -8.3638 -7.2256 -7.2256 12.0844 12.0844 14.8540 14.8540 16.4655 16.4655 18.3807 18.3807 19.8843 19.8843 k = 0.2294 0.2294-0.0000 ( 644 PWs) bands (ev): -27.4541 -27.4541 -8.6156 -8.6156 -8.3269 -8.3269 -7.2335 -7.2335 12.0106 12.0106 14.8449 14.8449 16.3476 16.3476 18.4222 18.4222 19.9286 19.9286 k = 0.2235 0.2235-0.0000 ( 643 PWs) bands (ev): -27.4698 -27.4698 -8.5795 -8.5795 -8.2897 -8.2897 -7.2411 -7.2411 11.9330 11.9330 14.8315 14.8315 16.2315 16.2315 18.4746 18.4746 19.9743 19.9743 k = 0.2176 0.2176-0.0000 ( 643 PWs) bands (ev): -27.4855 -27.4855 -8.5433 -8.5433 -8.2525 -8.2525 -7.2486 -7.2486 11.8520 11.8520 14.8137 14.8137 16.1171 16.1171 18.5371 18.5371 20.0212 20.0212 k = 0.2118 0.2118-0.0000 ( 643 PWs) bands (ev): -27.5010 -27.5010 -8.5071 -8.5071 -8.2152 -8.2152 -7.2561 -7.2561 11.7682 11.7682 14.7918 14.7918 16.0044 16.0044 18.6091 18.6091 20.0692 20.0692 k = 0.2059 0.2059-0.0000 ( 643 PWs) bands (ev): -27.5164 -27.5164 -8.4708 -8.4708 -8.1779 -8.1779 -7.2633 -7.2633 11.6822 11.6822 14.7659 14.7659 15.8935 15.8935 18.6898 18.6898 20.1183 20.1183 k = 0.2000 0.2000-0.0000 ( 639 PWs) bands (ev): -27.5316 -27.5316 -8.4345 -8.4345 -8.1406 -8.1406 -7.2704 -7.2704 11.5944 11.5944 14.7365 14.7365 15.7847 15.7847 18.7784 18.7784 20.1685 20.1685 k = 0.1941 0.1941-0.0000 ( 641 PWs) bands (ev): -27.5466 -27.5466 -8.3985 -8.3985 -8.1036 -8.1036 -7.2773 -7.2773 11.5053 11.5053 14.7038 14.7038 15.6776 15.6776 18.8738 18.8738 20.2196 20.2196 k = 0.1882 0.1882-0.0000 ( 641 PWs) bands (ev): -27.5614 -27.5614 -8.3626 -8.3626 -8.0667 -8.0667 -7.2840 -7.2840 11.4152 11.4152 14.6684 14.6684 15.5728 15.5728 18.9753 18.9753 20.2716 20.2716 k = 0.1824 0.1824-0.0000 ( 641 PWs) bands (ev): -27.5760 -27.5760 -8.3270 -8.3270 -8.0301 -8.0301 -7.2905 -7.2905 11.3245 11.3245 14.6308 14.6308 15.4700 15.4700 19.0819 19.0819 20.3244 20.3244 k = 0.1765 0.1765-0.0000 ( 641 PWs) bands (ev): -27.5903 -27.5903 -8.2918 -8.2918 -7.9937 -7.9937 -7.2968 -7.2968 11.2335 11.2335 14.5913 14.5913 15.3696 15.3696 19.1927 19.1927 20.3780 20.3780 k = 0.1706 0.1706-0.0000 ( 649 PWs) bands (ev): -27.6043 -27.6043 -8.2571 -8.2571 -7.9578 -7.9578 -7.3028 -7.3028 11.1426 11.1426 14.5503 14.5503 15.2712 15.2712 19.3066 19.3066 20.4321 20.4321 k = 0.1647 0.1647-0.0000 ( 649 PWs) bands (ev): -27.6181 -27.6181 -8.2228 -8.2228 -7.9222 -7.9222 -7.3085 -7.3085 11.0520 11.0520 14.5085 14.5085 15.1755 15.1755 19.4234 19.4234 20.4869 20.4869 k = 0.1588 0.1588-0.0000 ( 649 PWs) bands (ev): -27.6315 -27.6315 -8.1891 -8.1891 -7.8871 -7.8871 -7.3139 -7.3139 10.9621 10.9621 14.4660 14.4660 15.0823 15.0823 19.5420 19.5420 20.5420 20.5420 k = 0.1529 0.1529-0.0000 ( 649 PWs) bands (ev): -27.6447 -27.6447 -8.1561 -8.1561 -7.8525 -7.8525 -7.3190 -7.3190 10.8732 10.8732 14.4233 14.4233 14.9917 14.9917 19.6616 19.6616 20.5975 20.5975 k = 0.1471 0.1471-0.0000 ( 641 PWs) bands (ev): -27.6574 -27.6574 -8.1238 -8.1238 -7.8183 -7.8183 -7.3235 -7.3235 10.7854 10.7854 14.3807 14.3807 14.9037 14.9037 19.7817 19.7817 20.6532 20.6532 k = 0.1412 0.1412-0.0000 ( 641 PWs) bands (ev): -27.6698 -27.6698 -8.0923 -8.0923 -7.7849 -7.7849 -7.3279 -7.3279 10.6991 10.6991 14.3383 14.3383 14.8185 14.8185 19.9014 19.9014 20.7089 20.7089 k = 0.1353 0.1353-0.0000 ( 641 PWs) bands (ev): -27.6819 -27.6819 -8.0618 -8.0618 -7.7522 -7.7522 -7.3319 -7.3319 10.6144 10.6144 14.2963 14.2963 14.7360 14.7360 20.0202 20.0202 20.7645 20.7646 k = 0.1294 0.1294-0.0000 ( 637 PWs) bands (ev): -27.6935 -27.6935 -8.0323 -8.0323 -7.7202 -7.7202 -7.3354 -7.3354 10.5316 10.5316 14.2551 14.2551 14.6566 14.6566 20.1375 20.1375 20.8200 20.8200 k = 0.1235 0.1235-0.0000 ( 637 PWs) bands (ev): -27.7047 -27.7047 -8.0039 -8.0039 -7.6890 -7.6890 -7.3386 -7.3386 10.4510 10.4510 14.2148 14.2148 14.5801 14.5801 20.2528 20.2528 20.8749 20.8750 k = 0.1176 0.1176-0.0000 ( 643 PWs) bands (ev): -27.7156 -27.7156 -7.9768 -7.9768 -7.6589 -7.6589 -7.3413 -7.3413 10.3726 10.3726 14.1756 14.1756 14.5063 14.5063 20.3655 20.3655 20.9292 20.9292 k = 0.1118 0.1118-0.0000 ( 639 PWs) bands (ev): -27.7259 -27.7259 -7.9508 -7.9508 -7.6295 -7.6295 -7.3435 -7.3435 10.2968 10.2968 14.1377 14.1377 14.4360 14.4360 20.4754 20.4754 20.9829 20.9829 k = 0.1059 0.1059-0.0000 ( 639 PWs) bands (ev): -27.7359 -27.7359 -7.9261 -7.9261 -7.6012 -7.6012 -7.3452 -7.3452 10.2236 10.2236 14.1011 14.1011 14.3687 14.3687 20.5817 20.5817 21.0356 21.0356 k = 0.1000 0.1000-0.0000 ( 639 PWs) bands (ev): -27.7453 -27.7453 -7.9029 -7.9029 -7.5740 -7.5740 -7.3465 -7.3465 10.1534 10.1534 14.0660 14.0660 14.3047 14.3047 20.6842 20.6842 21.0872 21.0872 k = 0.0941 0.0941-0.0000 ( 639 PWs) bands (ev): -27.7543 -27.7543 -7.8811 -7.8811 -7.5480 -7.5480 -7.3473 -7.3473 10.0862 10.0862 14.0324 14.0324 14.2439 14.2439 20.7825 20.7825 21.1374 21.1374 k = 0.0882 0.0882-0.0000 ( 637 PWs) bands (ev): -27.7628 -27.7628 -7.8606 -7.8606 -7.5231 -7.5231 -7.3476 -7.3476 10.0222 10.0222 14.0007 14.0007 14.1866 14.1866 20.8763 20.8763 21.1861 21.1863 k = 0.0824 0.0824-0.0000 ( 637 PWs) bands (ev): -27.7708 -27.7708 -7.8418 -7.8418 -7.4995 -7.4995 -7.3475 -7.3475 9.9616 9.9616 13.9706 13.9706 14.1326 14.1326 20.9651 20.9651 21.2330 21.2332 k = 0.0765 0.0765-0.0000 ( 637 PWs) bands (ev): -27.7783 -27.7783 -7.8244 -7.8244 -7.4772 -7.4772 -7.3470 -7.3470 9.9045 9.9045 13.9423 13.9423 14.0821 14.0821 21.0487 21.0487 21.2780 21.2780 k = 0.0706 0.0706-0.0000 ( 637 PWs) bands (ev): -27.7853 -27.7853 -7.8086 -7.8086 -7.4563 -7.4563 -7.3461 -7.3461 9.8511 9.8511 13.9159 13.9159 14.0351 14.0351 21.1270 21.1270 21.3207 21.3207 k = 0.0647 0.0647-0.0000 ( 637 PWs) bands (ev): -27.7918 -27.7918 -7.7943 -7.7943 -7.4368 -7.4368 -7.3449 -7.3449 9.8015 9.8015 13.8915 13.8915 13.9917 13.9917 21.1996 21.1996 21.3611 21.3611 k = 0.0588 0.0588-0.0000 ( 637 PWs) bands (ev): -27.7977 -27.7977 -7.7814 -7.7814 -7.4189 -7.4189 -7.3434 -7.3434 9.7557 9.7557 13.8691 13.8691 13.9519 13.9519 21.2665 21.2665 21.3988 21.3988 k = 0.0529 0.0529-0.0000 ( 629 PWs) bands (ev): -27.8031 -27.8031 -7.7699 -7.7699 -7.4023 -7.4023 -7.3416 -7.3416 9.7140 9.7140 13.8487 13.8487 13.9160 13.9160 21.3273 21.3273 21.4339 21.4339 k = 0.0471 0.0471-0.0000 ( 629 PWs) bands (ev): -27.8079 -27.8079 -7.7599 -7.7599 -7.3875 -7.3875 -7.3398 -7.3398 9.6764 9.6764 13.8304 13.8304 13.8836 13.8836 21.3820 21.3820 21.4657 21.4657 k = 0.0412 0.0412-0.0000 ( 625 PWs) bands (ev): -27.8122 -27.8122 -7.7512 -7.7512 -7.3742 -7.3742 -7.3379 -7.3379 9.6430 9.6430 13.8141 13.8141 13.8549 13.8549 21.4304 21.4305 21.4944 21.4945 k = 0.0353 0.0353-0.0000 ( 619 PWs) bands (ev): -27.8159 -27.8159 -7.7438 -7.7438 -7.3625 -7.3625 -7.3361 -7.3361 9.6139 9.6139 13.8001 13.8001 13.8300 13.8300 21.4726 21.4728 21.5195 21.5198 k = 0.0294 0.0294-0.0000 ( 619 PWs) bands (ev): -27.8190 -27.8190 -7.7377 -7.7377 -7.3527 -7.3527 -7.3345 -7.3345 9.5892 9.5892 13.7881 13.7881 13.8089 13.8089 21.5081 21.5081 21.5408 21.5408 k = 0.0235 0.0235-0.0000 ( 619 PWs) bands (ev): -27.8216 -27.8216 -7.7328 -7.7328 -7.3447 -7.3447 -7.3330 -7.3330 9.5689 9.5689 13.7782 13.7782 13.7916 13.7916 21.5368 21.5368 21.5580 21.5580 k = 0.0176 0.0176-0.0000 ( 619 PWs) bands (ev): -27.8236 -27.8236 -7.7290 -7.7290 -7.3383 -7.3383 -7.3318 -7.3318 9.5530 9.5530 13.7705 13.7705 13.7781 13.7781 21.5587 21.5588 21.5707 21.5708 k = 0.0118 0.0118-0.0000 ( 619 PWs) bands (ev): -27.8251 -27.8251 -7.7264 -7.7264 -7.3338 -7.3338 -7.3309 -7.3309 9.5417 9.5417 13.7651 13.7651 13.7684 13.7684 21.5738 21.5739 21.5792 21.5792 k = 0.0059 0.0059-0.0000 ( 619 PWs) bands (ev): -27.8260 -27.8260 -7.7248 -7.7248 -7.3311 -7.3311 -7.3304 -7.3304 9.5348 9.5348 13.7618 13.7618 13.7626 13.7626 21.5825 21.5826 21.5838 21.5843 k = 0.0000 0.0000 0.0000 ( 619 PWs) bands (ev): -27.8262 -27.8262 -7.7243 -7.7243 -7.3302 -7.3302 -7.3302 -7.3302 9.5325 9.5325 13.7607 13.7607 13.7607 13.7607 21.5853 21.5853 21.5853 21.5853 k = 0.0000 0.0000 0.0000 ( 619 PWs) bands (ev): -27.8262 -27.8262 -7.7243 -7.7243 -7.3302 -7.3302 -7.3302 -7.3302 9.5325 9.5325 13.7607 13.7607 13.7607 13.7607 21.5853 21.5853 21.5853 21.5853 k = 0.0048 0.0048 0.0048 ( 619 PWs) bands (ev): -27.8260 -27.8260 -7.7248 -7.7248 -7.3308 -7.3308 -7.3307 -7.3307 9.5348 9.5348 13.7622 13.7622 13.7622 13.7622 21.5829 21.5829 21.5836 21.5836 k = 0.0095 0.0095 0.0095 ( 619 PWs) bands (ev): -27.8251 -27.8251 -7.7263 -7.7263 -7.3326 -7.3326 -7.3321 -7.3321 9.5415 9.5415 13.7666 13.7666 13.7667 13.7667 21.5755 21.5755 21.5783 21.5783 k = 0.0143 0.0143 0.0143 ( 619 PWs) bands (ev): -27.8237 -27.8237 -7.7289 -7.7289 -7.3356 -7.3356 -7.3345 -7.3345 9.5527 9.5527 13.7740 13.7740 13.7741 13.7741 21.5629 21.5629 21.5696 21.5696 k = 0.0190 0.0190 0.0190 ( 619 PWs) bands (ev): -27.8217 -27.8217 -7.7325 -7.7325 -7.3398 -7.3398 -7.3377 -7.3377 9.5683 9.5683 13.7844 13.7844 13.7846 13.7846 21.5448 21.5448 21.5573 21.5573 k = 0.0238 0.0238 0.0238 ( 619 PWs) bands (ev): -27.8192 -27.8192 -7.7371 -7.7371 -7.3452 -7.3452 -7.3420 -7.3420 9.5883 9.5883 13.7977 13.7977 13.7981 13.7981 21.5213 21.5213 21.5415 21.5418 k = 0.0286 0.0286 0.0286 ( 619 PWs) bands (ev): -27.8160 -27.8160 -7.7427 -7.7427 -7.3517 -7.3517 -7.3471 -7.3471 9.6127 9.6127 13.8139 13.8139 13.8145 13.8145 21.4925 21.4925 21.5222 21.5232 k = 0.0333 0.0333 0.0333 ( 625 PWs) bands (ev): -27.8124 -27.8124 -7.7495 -7.7495 -7.3596 -7.3596 -7.3532 -7.3532 9.6414 9.6414 13.8330 13.8330 13.8338 13.8338 21.4581 21.4581 21.4994 21.4994 k = 0.0381 0.0381 0.0381 ( 625 PWs) bands (ev): -27.8082 -27.8082 -7.7571 -7.7571 -7.3683 -7.3683 -7.3602 -7.3602 9.6744 9.6744 13.8551 13.8551 13.8561 13.8561 21.4191 21.4191 21.4730 21.4730 k = 0.0429 0.0429 0.0429 ( 631 PWs) bands (ev): -27.8034 -27.8034 -7.7658 -7.7658 -7.3784 -7.3784 -7.3681 -7.3681 9.7115 9.7115 13.8798 13.8798 13.8811 13.8811 21.3753 21.3754 21.4441 21.4457 k = 0.0476 0.0476 0.0476 ( 631 PWs) bands (ev): -27.7981 -27.7981 -7.7753 -7.7753 -7.3893 -7.3893 -7.3769 -7.3769 9.7528 9.7528 13.9076 13.9076 13.9091 13.9091 21.3271 21.3271 21.4099 21.4129 k = 0.0524 0.0524 0.0524 ( 631 PWs) bands (ev): -27.7922 -27.7922 -7.7858 -7.7858 -7.4013 -7.4013 -7.3865 -7.3865 9.7982 9.7982 13.9383 13.9383 13.9401 13.9401 21.2745 21.2745 21.3727 21.3727 k = 0.0571 0.0571 0.0571 ( 637 PWs) bands (ev): -27.7858 -27.7858 -7.7974 -7.7974 -7.4144 -7.4144 -7.3971 -7.3971 9.8475 9.8475 13.9717 13.9717 13.9738 13.9738 21.2179 21.2182 21.3319 21.3419 k = 0.0619 0.0619 0.0619 ( 637 PWs) bands (ev): -27.7789 -27.7789 -7.8097 -7.8097 -7.4283 -7.4283 -7.4084 -7.4084 9.9006 9.9006 14.0079 14.0079 14.0104 14.0104 21.1577 21.1577 21.2879 21.2879 k = 0.0667 0.0667 0.0667 ( 637 PWs) bands (ev): -27.7715 -27.7715 -7.8229 -7.8229 -7.4432 -7.4432 -7.4205 -7.4205 9.9575 9.9575 14.0469 14.0469 14.0498 14.0498 21.0940 21.0940 21.2403 21.2403 k = 0.0714 0.0714 0.0714 ( 637 PWs) bands (ev): -27.7635 -27.7635 -7.8370 -7.8370 -7.4590 -7.4590 -7.4334 -7.4334 10.0180 10.0180 14.0886 14.0886 14.0919 14.0919 21.0272 21.0272 21.1895 21.1914 k = 0.0762 0.0762 0.0762 ( 637 PWs) bands (ev): -27.7550 -27.7550 -7.8519 -7.8519 -7.4756 -7.4756 -7.4470 -7.4470 10.0821 10.0821 14.1329 14.1329 14.1366 14.1366 20.9575 20.9576 21.1348 21.1373 k = 0.0810 0.0810 0.0810 ( 636 PWs) bands (ev): -27.7460 -27.7460 -7.8676 -7.8676 -7.4930 -7.4930 -7.4615 -7.4615 10.1495 10.1495 14.1799 14.1799 14.1841 14.1841 20.8855 20.8855 21.0766 21.0848 k = 0.0857 0.0857 0.0857 ( 636 PWs) bands (ev): -27.7365 -27.7365 -7.8841 -7.8841 -7.5113 -7.5113 -7.4766 -7.4766 10.2200 10.2200 14.2295 14.2295 14.2341 14.2341 20.8113 20.8113 21.0153 21.0193 k = 0.0905 0.0905 0.0905 ( 636 PWs) bands (ev): -27.7265 -27.7265 -7.9014 -7.9014 -7.5302 -7.5302 -7.4925 -7.4925 10.2937 10.2937 14.2816 14.2816 14.2867 14.2867 20.7353 20.7354 20.9504 20.9546 k = 0.0952 0.0952 0.0952 ( 636 PWs) bands (ev): -27.7161 -27.7161 -7.9193 -7.9193 -7.5499 -7.5499 -7.5090 -7.5090 10.3702 10.3702 14.3362 14.3362 14.3418 14.3418 20.6580 20.6580 20.8821 20.8874 k = 0.1000 0.1000 0.1000 ( 654 PWs) bands (ev): -27.7052 -27.7052 -7.9383 -7.9383 -7.5704 -7.5704 -7.5265 -7.5265 10.4494 10.4494 14.3929 14.3929 14.3990 14.3990 20.5794 20.5794 20.8115 20.8168 k = 0.1048 0.1048 0.1048 ( 651 PWs) bands (ev): -27.6938 -27.6938 -7.9576 -7.9576 -7.5912 -7.5912 -7.5443 -7.5443 10.5312 10.5312 14.4524 14.4524 14.4590 14.4590 20.5005 20.5005 20.7357 20.7364 k = 0.1095 0.1095 0.1095 ( 651 PWs) bands (ev): -27.6820 -27.6820 -7.9775 -7.9775 -7.6127 -7.6127 -7.5627 -7.5627 10.6152 10.6152 14.5141 14.5141 14.5213 14.5213 20.4213 20.4213 20.6585 20.6593 k = 0.1143 0.1143 0.1143 ( 651 PWs) bands (ev): -27.6698 -27.6698 -7.9980 -7.9980 -7.6347 -7.6347 -7.5817 -7.5817 10.7014 10.7014 14.5780 14.5780 14.5858 14.5858 20.3424 20.3424 20.5776 20.5827 k = 0.1190 0.1190 0.1190 ( 651 PWs) bands (ev): -27.6571 -27.6571 -8.0191 -8.0191 -7.6571 -7.6571 -7.6012 -7.6012 10.7894 10.7894 14.6442 14.6442 14.6526 14.6526 20.2640 20.2640 20.4941 20.4994 k = 0.1238 0.1238 0.1238 ( 651 PWs) bands (ev): -27.6440 -27.6440 -8.0407 -8.0407 -7.6800 -7.6800 -7.6213 -7.6213 10.8790 10.8790 14.7124 14.7124 14.7214 14.7214 20.1867 20.1867 20.4075 20.4093 k = 0.1286 0.1286 0.1286 ( 651 PWs) bands (ev): -27.6305 -27.6305 -8.0627 -8.0627 -7.7033 -7.7033 -7.6418 -7.6418 10.9700 10.9700 14.7827 14.7827 14.7922 14.7922 20.1109 20.1109 20.3186 20.3216 k = 0.1333 0.1333 0.1333 ( 657 PWs) bands (ev): -27.6166 -27.6166 -8.0853 -8.0853 -7.7270 -7.7270 -7.6629 -7.6629 11.0621 11.0621 14.8547 14.8547 14.8648 14.8648 20.0370 20.0370 20.2274 20.2326 k = 0.1381 0.1381 0.1381 ( 657 PWs) bands (ev): -27.6024 -27.6024 -8.1082 -8.1082 -7.7510 -7.7510 -7.6843 -7.6843 11.1549 11.1549 14.9287 14.9287 14.9393 14.9393 19.9654 19.9654 20.1356 20.1380 k = 0.1429 0.1429 0.1429 ( 651 PWs) bands (ev): -27.5877 -27.5877 -8.1313 -8.1313 -7.7752 -7.7752 -7.7060 -7.7060 11.2483 11.2483 15.0045 15.0045 15.0158 15.0158 19.8966 19.8966 20.0388 20.0400 k = 0.1476 0.1476 0.1476 ( 651 PWs) bands (ev): -27.5727 -27.5727 -8.1549 -8.1549 -7.7997 -7.7997 -7.7282 -7.7282 11.3419 11.3419 15.0817 15.0817 15.0936 15.0936 19.8310 19.8310 19.9409 19.9447 k = 0.1524 0.1524 0.1524 ( 645 PWs) bands (ev): -27.5574 -27.5574 -8.1786 -8.1786 -7.8243 -7.8243 -7.7507 -7.7507 11.4354 11.4354 15.1604 15.1604 15.1729 15.1729 19.7692 19.7693 19.8419 19.8443 k = 0.1571 0.1571 0.1571 ( 645 PWs) bands (ev): -27.5418 -27.5418 -8.2027 -8.2027 -7.8492 -7.8492 -7.7736 -7.7736 11.5284 11.5284 15.2403 15.2403 15.2533 15.2533 19.7105 19.7107 19.7423 19.7443 k = 0.1619 0.1619 0.1619 ( 645 PWs) bands (ev): -27.5258 -27.5258 -8.2270 -8.2270 -7.8742 -7.8742 -7.7967 -7.7967 11.6205 11.6205 15.3213 15.3213 15.3349 15.3349 19.6393 19.6394 19.6402 19.6404 k = 0.1667 0.1667 0.1667 ( 645 PWs) bands (ev): -27.5096 -27.5096 -8.2514 -8.2514 -7.8994 -7.8994 -7.8201 -7.8201 11.7115 11.7115 15.4032 15.4032 15.4173 15.4173 19.5382 19.5382 19.5395 19.5395 k = 0.1714 0.1714 0.1714 ( 645 PWs) bands (ev): -27.4930 -27.4930 -8.2760 -8.2760 -7.9246 -7.9246 -7.8437 -7.8437 11.8009 11.8009 15.4857 15.4857 15.5002 15.5002 19.4358 19.4358 19.4372 19.4372 k = 0.1762 0.1762 0.1762 ( 645 PWs) bands (ev): -27.4763 -27.4763 -8.3006 -8.3006 -7.9500 -7.9500 -7.8675 -7.8675 11.8884 11.8884 15.5684 15.5684 15.5835 15.5835 19.3335 19.3335 19.3346 19.3346 k = 0.1810 0.1810 0.1810 ( 645 PWs) bands (ev): -27.4592 -27.4592 -8.3254 -8.3254 -7.9753 -7.9753 -7.8914 -7.8914 11.9736 11.9736 15.6512 15.6512 15.6667 15.6667 19.2317 19.2317 19.2325 19.2325 k = 0.1857 0.1857 0.1857 ( 645 PWs) bands (ev): -27.4420 -27.4420 -8.3501 -8.3501 -8.0006 -8.0006 -7.9156 -7.9156 12.0562 12.0562 15.7335 15.7335 15.7493 15.7493 19.1310 19.1310 19.1313 19.1313 k = 0.1905 0.1905 0.1905 ( 645 PWs) bands (ev): -27.4245 -27.4245 -8.3748 -8.3748 -8.0259 -8.0259 -7.9398 -7.9398 12.1358 12.1358 15.8148 15.8148 15.8310 15.8310 19.0318 19.0318 19.0320 19.0320 k = 0.1952 0.1952 0.1952 ( 633 PWs) bands (ev): -27.4067 -27.4067 -8.3993 -8.3993 -8.0510 -8.0510 -7.9640 -7.9640 12.2120 12.2120 15.8948 15.8948 15.9112 15.9112 18.9350 18.9350 18.9357 18.9357 k = 0.2000 0.2000 0.2000 ( 633 PWs) bands (ev): -27.3889 -27.3889 -8.4239 -8.4239 -8.0762 -8.0762 -7.9884 -7.9884 12.2846 12.2846 15.9723 15.9723 15.9889 15.9889 18.8410 18.8410 18.8424 18.8424 k = 0.2048 0.2048 0.2048 ( 633 PWs) bands (ev): -27.3708 -27.3708 -8.4484 -8.4484 -8.1012 -8.1012 -8.0128 -8.0128 12.3532 12.3532 16.0466 16.0466 16.0632 16.0632 18.7513 18.7513 18.7534 18.7534 k = 0.2095 0.2095 0.2095 ( 633 PWs) bands (ev): -27.3526 -27.3526 -8.4728 -8.4728 -8.1262 -8.1262 -8.0372 -8.0372 12.4177 12.4177 16.1166 16.1166 16.1332 16.1332 18.6670 18.6670 18.6699 18.6699 k = 0.2143 0.2143 0.2143 ( 639 PWs) bands (ev): -27.3343 -27.3343 -8.4972 -8.4972 -8.1511 -8.1511 -8.0617 -8.0617 12.4778 12.4778 16.1810 16.1810 16.1973 16.1973 18.5894 18.5894 18.5933 18.5933 k = 0.2190 0.2190 0.2190 ( 633 PWs) bands (ev): -27.3159 -27.3159 -8.5211 -8.5211 -8.1756 -8.1756 -8.0860 -8.0860 12.5334 12.5334 16.2385 16.2385 16.2544 16.2544 18.5203 18.5203 18.5255 18.5255 k = 0.2238 0.2238 0.2238 ( 633 PWs) bands (ev): -27.2973 -27.2973 -8.5450 -8.5450 -8.2000 -8.2000 -8.1103 -8.1103 12.5844 12.5844 16.2873 16.2873 16.3024 16.3024 18.4613 18.4613 18.4678 18.4678 k = 0.2286 0.2286 0.2286 ( 633 PWs) bands (ev): -27.2787 -27.2787 -8.5686 -8.5686 -8.2242 -8.2242 -8.1345 -8.1345 12.6307 12.6307 16.3256 16.3256 16.3398 16.3398 18.4143 18.4143 18.4224 18.4224 k = 0.2333 0.2333 0.2333 ( 636 PWs) bands (ev): -27.2600 -27.2600 -8.5920 -8.5920 -8.2482 -8.2482 -8.1587 -8.1587 12.6724 12.6724 16.3517 16.3517 16.3648 16.3648 18.3810 18.3810 18.3908 18.3908 k = 0.2381 0.2381 0.2381 ( 630 PWs) bands (ev): -27.2412 -27.2412 -8.6150 -8.6150 -8.2718 -8.2718 -8.1826 -8.1826 12.7095 12.7095 16.3643 16.3643 16.3762 16.3762 18.3632 18.3632 18.3748 18.3748 k = 0.2429 0.2429 0.2429 ( 630 PWs) bands (ev): -27.2224 -27.2224 -8.6378 -8.6378 -8.2952 -8.2952 -8.2065 -8.2065 12.7421 12.7421 16.3625 16.3625 16.3730 16.3730 18.3613 18.3613 18.3750 18.3750 k = 0.2476 0.2476 0.2476 ( 630 PWs) bands (ev): -27.2036 -27.2036 -8.6603 -8.6603 -8.3184 -8.3184 -8.2301 -8.2301 12.7704 12.7704 16.3462 16.3462 16.3553 16.3553 18.3759 18.3759 18.3915 18.3915 k = 0.2524 0.2524 0.2524 ( 630 PWs) bands (ev): -27.1848 -27.1848 -8.6826 -8.6826 -8.3412 -8.3412 -8.2536 -8.2536 12.7947 12.7947 16.3159 16.3159 16.3237 16.3237 18.4063 18.4063 18.4238 18.4238 k = 0.2571 0.2571 0.2571 ( 630 PWs) bands (ev): -27.1660 -27.1660 -8.7044 -8.7044 -8.3637 -8.3637 -8.2769 -8.2769 12.8150 12.8150 16.2729 16.2729 16.2794 16.2794 18.4515 18.4515 18.4707 18.4707 k = 0.2619 0.2619 0.2619 ( 630 PWs) bands (ev): -27.1473 -27.1473 -8.7260 -8.7260 -8.3858 -8.3858 -8.2999 -8.2999 12.8318 12.8318 16.2188 16.2188 16.2241 16.2241 18.5099 18.5099 18.5308 18.5308 k = 0.2667 0.2667 0.2667 ( 633 PWs) bands (ev): -27.1286 -27.1286 -8.7472 -8.7472 -8.4077 -8.4077 -8.3227 -8.3227 12.8453 12.8453 16.1551 16.1551 16.1594 16.1594 18.5799 18.5799 18.6021 18.6021 k = 0.2714 0.2714 0.2714 ( 633 PWs) bands (ev): -27.1099 -27.1099 -8.7680 -8.7680 -8.4291 -8.4291 -8.3453 -8.3453 12.8559 12.8559 16.0836 16.0836 16.0871 16.0871 18.6599 18.6599 18.6834 18.6834 k = 0.2762 0.2762 0.2762 ( 633 PWs) bands (ev): -27.0914 -27.0914 -8.7885 -8.7885 -8.4501 -8.4501 -8.3675 -8.3675 12.8638 12.8638 16.0059 16.0059 16.0087 16.0087 18.7484 18.7484 18.7730 18.7730 k = 0.2810 0.2810 0.2810 ( 627 PWs) bands (ev): -27.0729 -27.0729 -8.8085 -8.8085 -8.4706 -8.4706 -8.3894 -8.3894 12.8694 12.8694 15.9234 15.9234 15.9255 15.9255 18.8442 18.8442 18.8697 18.8697 k = 0.2857 0.2857 0.2857 ( 627 PWs) bands (ev): -27.0545 -27.0545 -8.8282 -8.8282 -8.4909 -8.4909 -8.4111 -8.4111 12.8730 12.8730 15.8370 15.8370 15.8386 15.8386 18.9460 18.9460 18.9723 18.9723 k = 0.2905 0.2905 0.2905 ( 630 PWs) bands (ev): -27.0363 -27.0363 -8.8476 -8.8476 -8.5107 -8.5107 -8.4324 -8.4324 12.8747 12.8747 15.7478 15.7478 15.7490 15.7490 19.0529 19.0529 19.0799 19.0799 k = 0.2952 0.2952 0.2952 ( 630 PWs) bands (ev): -27.0183 -27.0183 -8.8665 -8.8665 -8.5301 -8.5301 -8.4534 -8.4534 12.8753 12.8753 15.6566 15.6566 15.6574 15.6574 19.1642 19.1642 19.1918 19.1918 k = 0.3000 0.3000 0.3000 ( 630 PWs) bands (ev): -27.0004 -27.0004 -8.8850 -8.8850 -8.5490 -8.5490 -8.4740 -8.4740 12.8747 12.8747 15.5641 15.5641 15.5645 15.5645 19.2793 19.2793 19.3074 19.3074 k = 0.3048 0.3048 0.3048 ( 630 PWs) bands (ev): -26.9827 -26.9827 -8.9031 -8.9031 -8.5675 -8.5675 -8.4943 -8.4943 12.8733 12.8733 15.4707 15.4707 15.4708 15.4708 19.3976 19.3976 19.4261 19.4261 k = 0.3095 0.3095 0.3095 ( 630 PWs) bands (ev): -26.9651 -26.9651 -8.9208 -8.9208 -8.5855 -8.5855 -8.5142 -8.5142 12.8714 12.8714 15.3769 15.3769 15.3771 15.3771 19.5186 19.5186 19.5475 19.5475 k = 0.3143 0.3143 0.3143 ( 630 PWs) bands (ev): -26.9478 -26.9478 -8.9380 -8.9380 -8.6030 -8.6030 -8.5337 -8.5337 12.8692 12.8692 15.2830 15.2830 15.2835 15.2835 19.6420 19.6420 19.6713 19.6713 k = 0.3190 0.3190 0.3190 ( 627 PWs) bands (ev): -26.9308 -26.9308 -8.9549 -8.9549 -8.6200 -8.6200 -8.5528 -8.5528 12.8668 12.8668 15.1896 15.1896 15.1903 15.1903 19.7676 19.7676 19.7970 19.7970 k = 0.3238 0.3238 0.3238 ( 627 PWs) bands (ev): -26.9139 -26.9139 -8.9713 -8.9713 -8.6366 -8.6366 -8.5715 -8.5715 12.8646 12.8646 15.0968 15.0968 15.0977 15.0977 19.8948 19.8948 19.9244 19.9244 k = 0.3286 0.3286 0.3286 ( 627 PWs) bands (ev): -26.8973 -26.8973 -8.9873 -8.9873 -8.6528 -8.6528 -8.5898 -8.5898 12.8627 12.8627 15.0050 15.0050 15.0061 15.0061 20.0236 20.0236 20.0533 20.0533 k = 0.3333 0.3333 0.3333 ( 627 PWs) bands (ev): -26.8810 -26.8810 -9.0030 -9.0030 -8.6684 -8.6684 -8.6076 -8.6076 12.8613 12.8613 14.9143 14.9143 14.9156 14.9156 20.1536 20.1536 20.1833 20.1833 k = 0.3381 0.3381 0.3381 ( 627 PWs) bands (ev): -26.8650 -26.8650 -9.0181 -9.0181 -8.6835 -8.6835 -8.6250 -8.6250 12.8605 12.8605 14.8250 14.8250 14.8264 14.8264 20.2847 20.2847 20.3144 20.3144 k = 0.3429 0.3429 0.3429 ( 627 PWs) bands (ev): -26.8493 -26.8493 -9.0329 -9.0329 -8.6982 -8.6982 -8.6420 -8.6420 12.8605 12.8605 14.7371 14.7371 14.7387 14.7387 20.4167 20.4167 20.4463 20.4463 k = 0.3476 0.3476 0.3476 ( 627 PWs) bands (ev): -26.8339 -26.8339 -9.0472 -9.0472 -8.7124 -8.7124 -8.6586 -8.6586 12.8613 12.8613 14.6508 14.6508 14.6526 14.6526 20.5493 20.5493 20.5788 20.5788 k = 0.3524 0.3524 0.3524 ( 630 PWs) bands (ev): -26.8188 -26.8188 -9.0612 -9.0612 -8.7261 -8.7261 -8.6747 -8.6747 12.8630 12.8630 14.5663 14.5663 14.5682 14.5682 20.6824 20.6824 20.7117 20.7117 k = 0.3571 0.3571 0.3571 ( 630 PWs) bands (ev): -26.8041 -26.8041 -9.0747 -9.0747 -8.7393 -8.7393 -8.6903 -8.6903 12.8658 12.8658 14.4836 14.4836 14.4857 14.4857 20.8158 20.8158 20.8449 20.8449 k = 0.3619 0.3619 0.3619 ( 630 PWs) bands (ev): -26.7897 -26.7897 -9.0878 -9.0878 -8.7520 -8.7520 -8.7055 -8.7055 12.8696 12.8696 14.4030 14.4030 14.4052 14.4052 20.9494 20.9494 20.9781 20.9781 k = 0.3667 0.3667 0.3667 ( 630 PWs) bands (ev): -26.7757 -26.7757 -9.1004 -9.1004 -8.7642 -8.7642 -8.7201 -8.7201 12.8746 12.8746 14.3244 14.3244 14.3268 14.3268 21.0830 21.0830 21.1113 21.1113 k = 0.3714 0.3714 0.3714 ( 630 PWs) bands (ev): -26.7621 -26.7621 -9.1126 -9.1126 -8.7760 -8.7760 -8.7343 -8.7343 12.8807 12.8807 14.2480 14.2480 14.2505 14.2505 21.2163 21.2163 21.2442 21.2442 k = 0.3762 0.3762 0.3762 ( 636 PWs) bands (ev): -26.7488 -26.7488 -9.1245 -9.1245 -8.7874 -8.7874 -8.7481 -8.7481 12.8879 12.8879 14.1737 14.1737 14.1764 14.1764 21.3492 21.3492 21.3764 21.3764 k = 0.3810 0.3810 0.3810 ( 633 PWs) bands (ev): -26.7360 -26.7360 -9.1358 -9.1358 -8.7980 -8.7980 -8.7613 -8.7613 12.8965 12.8965 14.1018 14.1018 14.1046 14.1046 21.4815 21.4815 21.5082 21.5082 k = 0.3857 0.3857 0.3857 ( 633 PWs) bands (ev): -26.7235 -26.7235 -9.1467 -9.1467 -8.8084 -8.8084 -8.7740 -8.7740 12.9060 12.9060 14.0323 14.0323 14.0352 14.0352 21.6130 21.6130 21.6390 21.6390 k = 0.3905 0.3905 0.3905 ( 639 PWs) bands (ev): -26.7116 -26.7116 -9.1573 -9.1573 -8.8183 -8.8183 -8.7863 -8.7863 12.9164 12.9164 13.9652 13.9652 13.9683 13.9683 21.7434 21.7434 21.7687 21.7687 k = 0.3952 0.3952 0.3952 ( 639 PWs) bands (ev): -26.7000 -26.7000 -9.1673 -9.1673 -8.8277 -8.8277 -8.7980 -8.7980 12.9280 12.9280 13.9006 13.9006 13.9038 13.9038 21.8727 21.8727 21.8971 21.8971 k = 0.4000 0.4000 0.4000 ( 639 PWs) bands (ev): -26.6889 -26.6889 -9.1769 -9.1769 -8.8366 -8.8366 -8.8093 -8.8093 12.9405 12.9405 13.8386 13.8386 13.8419 13.8419 22.0005 22.0005 22.0240 22.0240 k = 0.4048 0.4048 0.4048 ( 642 PWs) bands (ev): -26.6782 -26.6782 -9.1861 -9.1861 -8.8452 -8.8452 -8.8200 -8.8200 12.9537 12.9537 13.7792 13.7792 13.7825 13.7825 22.1264 22.1264 22.1490 22.1490 k = 0.4095 0.4095 0.4095 ( 642 PWs) bands (ev): -26.6680 -26.6680 -9.1949 -9.1949 -8.8532 -8.8532 -8.8302 -8.8302 12.9679 12.9679 13.7224 13.7224 13.7259 13.7259 22.2504 22.2504 22.2719 22.2719 k = 0.4143 0.4143 0.4143 ( 642 PWs) bands (ev): -26.6582 -26.6582 -9.2032 -9.2032 -8.8607 -8.8607 -8.8399 -8.8399 12.9826 12.9826 13.6683 13.6683 13.6719 13.6719 22.3720 22.3720 22.3924 22.3924 k = 0.4190 0.4190 0.4190 ( 642 PWs) bands (ev): -26.6490 -26.6490 -9.2110 -9.2110 -8.8678 -8.8678 -8.8491 -8.8491 12.9979 12.9979 13.6169 13.6169 13.6206 13.6206 22.4493 22.4493 22.4915 22.4915 k = 0.4238 0.4238 0.4238 ( 642 PWs) bands (ev): -26.6402 -26.6402 -9.2184 -9.2184 -8.8745 -8.8745 -8.8577 -8.8577 13.0136 13.0136 13.5683 13.5683 13.5720 13.5720 22.3183 22.3183 22.6070 22.6070 k = 0.4286 0.4286 0.4286 ( 642 PWs) bands (ev): -26.6319 -26.6319 -9.2254 -9.2254 -8.8808 -8.8808 -8.8659 -8.8659 13.0295 13.0295 13.5224 13.5224 13.5263 13.5263 22.1924 22.1924 22.7195 22.7195 k = 0.4333 0.4333 0.4333 ( 642 PWs) bands (ev): -26.6241 -26.6241 -9.2319 -9.2319 -8.8866 -8.8866 -8.8735 -8.8735 13.0455 13.0455 13.4794 13.4794 13.4833 13.4833 22.0725 22.0725 22.8282 22.8283 k = 0.4381 0.4381 0.4381 ( 642 PWs) bands (ev): -26.6168 -26.6168 -9.2380 -9.2380 -8.8920 -8.8920 -8.8806 -8.8806 13.0614 13.0614 13.4392 13.4392 13.4433 13.4433 21.9590 21.9590 22.9327 22.9327 k = 0.4429 0.4429 0.4429 ( 642 PWs) bands (ev): -26.6101 -26.6101 -9.2436 -9.2436 -8.8970 -8.8970 -8.8872 -8.8872 13.0771 13.0771 13.4019 13.4019 13.4060 13.4060 21.8523 21.8523 23.0324 23.0324 k = 0.4476 0.4476 0.4476 ( 642 PWs) bands (ev): -26.6038 -26.6038 -9.2488 -9.2488 -8.9015 -8.9015 -8.8932 -8.8932 13.0923 13.0923 13.3676 13.3676 13.3717 13.3717 21.7528 21.7528 23.1270 23.1270 k = 0.4524 0.4524 0.4524 ( 642 PWs) bands (ev): -26.5981 -26.5981 -9.2536 -9.2536 -8.9057 -8.9057 -8.8988 -8.8988 13.1070 13.1070 13.3361 13.3361 13.3403 13.3403 21.6607 21.6607 23.2162 23.2233 k = 0.4571 0.4571 0.4571 ( 636 PWs) bands (ev): -26.5929 -26.5929 -9.2578 -9.2578 -8.9094 -8.9094 -8.9037 -8.9037 13.1209 13.1209 13.3077 13.3077 13.3120 13.3120 21.5764 21.5764 23.2995 23.3014 k = 0.4619 0.4619 0.4619 ( 636 PWs) bands (ev): -26.5882 -26.5882 -9.2616 -9.2616 -8.9127 -8.9127 -8.9081 -8.9081 13.1339 13.1339 13.2821 13.2821 13.2865 13.2865 21.5001 21.5001 23.3759 23.3787 k = 0.4667 0.4667 0.4667 ( 636 PWs) bands (ev): -26.5841 -26.5841 -9.2650 -9.2650 -8.9156 -8.9156 -8.9121 -8.9121 13.1457 13.1457 13.2595 13.2595 13.2639 13.2639 21.4322 21.4322 23.4432 23.4461 k = 0.4714 0.4714 0.4714 ( 636 PWs) bands (ev): -26.5805 -26.5805 -9.2679 -9.2679 -8.9182 -8.9182 -8.9155 -8.9155 13.1563 13.1563 13.2399 13.2399 13.2444 13.2444 21.3728 21.3728 23.5044 23.5064 k = 0.4762 0.4762 0.4762 ( 630 PWs) bands (ev): -26.5775 -26.5775 -9.2703 -9.2703 -8.9202 -8.9202 -8.9183 -8.9183 13.1655 13.1655 13.2235 13.2235 13.2280 13.2280 21.3222 21.3222 23.5562 23.5573 k = 0.4810 0.4810 0.4810 ( 630 PWs) bands (ev): -26.5750 -26.5750 -9.2723 -9.2723 -8.9220 -8.9220 -8.9207 -8.9207 13.1732 13.1732 13.2098 13.2098 13.2145 13.2145 21.2805 21.2805 23.5997 23.6001 k = 0.4857 0.4857 0.4857 ( 624 PWs) bands (ev): -26.5731 -26.5731 -9.2738 -9.2738 -8.9232 -8.9232 -8.9225 -8.9225 13.1794 13.1794 13.1993 13.1993 13.2041 13.2041 21.2480 21.2480 23.6341 23.6342 k = 0.4905 0.4905 0.4905 ( 624 PWs) bands (ev): -26.5717 -26.5717 -9.2750 -9.2750 -8.9241 -8.9241 -8.9239 -8.9239 13.1835 13.1835 13.1917 13.1917 13.1969 13.1969 21.2246 21.2246 23.6589 23.6590 k = 0.4952 0.4952 0.4952 ( 624 PWs) bands (ev): -26.5708 -26.5708 -9.2756 -9.2756 -8.9247 -8.9247 -8.9247 -8.9247 13.1854 13.1854 13.1872 13.1872 13.1932 13.1932 21.2106 21.2106 23.6739 23.6740 k = 0.5000 0.5000 0.5000 ( 624 PWs) bands (ev): -26.5706 -26.5706 -9.2759 -9.2759 -8.9249 -8.9249 -8.9249 -8.9249 13.1857 13.1857 13.1857 13.1857 13.1923 13.1923 21.2059 21.2059 23.6789 23.6789 k = 0.5000 0.5000 0.5000 ( 624 PWs) bands (ev): -26.5706 -26.5706 -9.2759 -9.2759 -8.9249 -8.9249 -8.9249 -8.9249 13.1857 13.1857 13.1857 13.1857 13.1923 13.1923 21.2059 21.2059 23.6789 23.6789 k = 0.4941 0.5000 0.4941 ( 624 PWs) bands (ev): -26.5709 -26.5709 -9.2756 -9.2756 -8.9249 -8.9249 -8.9244 -8.9244 13.1851 13.1851 13.1874 13.1874 13.1933 13.1933 21.2107 21.2107 23.6718 23.6728 k = 0.4882 0.5000 0.4882 ( 624 PWs) bands (ev): -26.5717 -26.5717 -9.2749 -9.2749 -8.9250 -8.9250 -8.9229 -8.9229 13.1821 13.1821 13.1918 13.1918 13.1985 13.1985 21.2249 21.2249 23.6492 23.6673 k = 0.4824 0.5000 0.4824 ( 624 PWs) bands (ev): -26.5731 -26.5731 -9.2738 -9.2738 -8.9252 -8.9252 -8.9204 -8.9204 13.1761 13.1761 13.1981 13.1981 13.2090 13.2090 21.2487 21.2487 23.6123 23.6123 k = 0.4765 0.5000 0.4765 ( 628 PWs) bands (ev): -26.5751 -26.5751 -9.2723 -9.2723 -8.9254 -8.9254 -8.9170 -8.9170 13.1674 13.1674 13.2064 13.2064 13.2245 13.2245 21.2818 21.2818 23.5617 23.5617 k = 0.4706 0.5000 0.4706 ( 632 PWs) bands (ev): -26.5776 -26.5776 -9.2705 -9.2705 -8.9256 -8.9256 -8.9126 -8.9126 13.1562 13.1562 13.2170 13.2170 13.2447 13.2447 21.3241 21.3241 23.4980 23.4980 k = 0.4647 0.5000 0.4647 ( 632 PWs) bands (ev): -26.5807 -26.5807 -9.2682 -9.2682 -8.9256 -8.9256 -8.9072 -8.9072 13.1430 13.1430 13.2299 13.2299 13.2695 13.2695 21.3755 21.3755 23.4223 23.4223 k = 0.4588 0.5000 0.4588 ( 636 PWs) bands (ev): -26.5843 -26.5843 -9.2657 -9.2657 -8.9257 -8.9257 -8.9008 -8.9008 13.1275 13.1275 13.2451 13.2451 13.2988 13.2988 21.4358 21.4358 23.3355 23.3355 k = 0.4529 0.5000 0.4529 ( 636 PWs) bands (ev): -26.5885 -26.5885 -9.2630 -9.2630 -8.9255 -8.9255 -8.8933 -8.8933 13.1103 13.1103 13.2626 13.2626 13.3325 13.3325 21.5048 21.5048 23.2386 23.2386 k = 0.4471 0.5000 0.4471 ( 640 PWs) bands (ev): -26.5932 -26.5932 -9.2601 -9.2601 -8.9250 -8.9250 -8.8850 -8.8850 13.0915 13.0915 13.2823 13.2823 13.3705 13.3705 21.5821 21.5821 23.1327 23.1327 k = 0.4412 0.5000 0.4412 ( 640 PWs) bands (ev): -26.5984 -26.5984 -9.2572 -9.2572 -8.9242 -8.9242 -8.8755 -8.8755 13.0712 13.0712 13.3045 13.3045 13.4129 13.4129 21.6675 21.6675 23.0188 23.0188 k = 0.4353 0.5000 0.4353 ( 640 PWs) bands (ev): -26.6042 -26.6042 -9.2543 -9.2543 -8.9229 -8.9229 -8.8651 -8.8651 13.0497 13.0497 13.3290 13.3290 13.4596 13.4596 21.7608 21.7608 22.8978 22.8978 k = 0.4294 0.5000 0.4294 ( 640 PWs) bands (ev): -26.6105 -26.6105 -9.2516 -9.2516 -8.9211 -8.9211 -8.8538 -8.8538 13.0271 13.0271 13.3557 13.3557 13.5105 13.5105 21.8616 21.8616 22.7707 22.7707 k = 0.4235 0.5000 0.4235 ( 640 PWs) bands (ev): -26.6172 -26.6172 -9.2492 -9.2492 -8.9185 -8.9185 -8.8414 -8.8414 13.0037 13.0037 13.3847 13.3847 13.5655 13.5655 21.9695 21.9695 22.6381 22.6381 k = 0.4176 0.5000 0.4176 ( 644 PWs) bands (ev): -26.6245 -26.6245 -9.2472 -9.2472 -8.9152 -8.9152 -8.8282 -8.8282 12.9798 12.9798 13.4160 13.4160 13.6244 13.6244 22.0843 22.0843 22.5008 22.5008 k = 0.4118 0.5000 0.4118 ( 644 PWs) bands (ev): -26.6323 -26.6323 -9.2457 -9.2457 -8.9109 -8.9109 -8.8139 -8.8139 12.9556 12.9556 13.4496 13.4496 13.6874 13.6874 22.2054 22.2054 22.3596 22.3596 k = 0.4059 0.5000 0.4059 ( 644 PWs) bands (ev): -26.6405 -26.6405 -9.2449 -9.2449 -8.9056 -8.9056 -8.7987 -8.7987 12.9312 12.9312 13.4854 13.4854 13.7543 13.7543 22.2149 22.2149 22.3326 22.3326 k = 0.4000 0.5000 0.4000 ( 644 PWs) bands (ev): -26.6492 -26.6492 -9.2448 -9.2448 -8.8991 -8.8991 -8.7825 -8.7825 12.9069 12.9069 13.5235 13.5235 13.8250 13.8250 22.0673 22.0673 22.4652 22.4652 k = 0.3941 0.5000 0.3941 ( 644 PWs) bands (ev): -26.6583 -26.6583 -9.2455 -9.2455 -8.8914 -8.8914 -8.7654 -8.7654 12.8829 12.8829 13.5637 13.5637 13.8993 13.8993 21.9173 21.9173 22.6030 22.6030 k = 0.3882 0.5000 0.3882 ( 644 PWs) bands (ev): -26.6679 -26.6679 -9.2472 -9.2472 -8.8823 -8.8823 -8.7474 -8.7474 12.8595 12.8595 13.6062 13.6062 13.9772 13.9772 21.7653 21.7653 22.6944 22.6945 k = 0.3824 0.5000 0.3824 ( 644 PWs) bands (ev): -26.6779 -26.6779 -9.2498 -9.2498 -8.8719 -8.8719 -8.7284 -8.7284 12.8367 12.8367 13.6509 13.6509 14.0585 14.0585 21.6117 21.6117 22.5862 22.5862 k = 0.3765 0.5000 0.3765 ( 638 PWs) bands (ev): -26.6883 -26.6883 -9.2534 -9.2534 -8.8599 -8.8599 -8.7085 -8.7085 12.8149 12.8149 13.6978 13.6978 14.1433 14.1433 21.4568 21.4568 22.4728 22.4728 k = 0.3706 0.5000 0.3706 ( 638 PWs) bands (ev): -26.6991 -26.6991 -9.2580 -9.2580 -8.8468 -8.8468 -8.6878 -8.6878 12.7940 12.7940 13.7468 13.7468 14.2309 14.2309 21.3009 21.3009 22.3542 22.3542 k = 0.3647 0.5000 0.3647 ( 638 PWs) bands (ev): -26.7103 -26.7103 -9.2636 -9.2636 -8.8322 -8.8322 -8.6661 -8.6661 12.7745 12.7745 13.7979 13.7979 14.3215 14.3215 21.1443 21.1443 22.2310 22.2310 k = 0.3588 0.5000 0.3588 ( 638 PWs) bands (ev): -26.7218 -26.7218 -9.2701 -9.2701 -8.8163 -8.8163 -8.6437 -8.6437 12.7562 12.7562 13.8512 13.8512 14.4149 14.4149 20.9872 20.9872 22.1035 22.1035 k = 0.3529 0.5000 0.3529 ( 638 PWs) bands (ev): -26.7337 -26.7337 -9.2775 -9.2775 -8.7991 -8.7991 -8.6204 -8.6204 12.7395 12.7395 13.9065 13.9065 14.5107 14.5107 20.8298 20.8298 21.9722 21.9722 k = 0.3471 0.5000 0.3471 ( 638 PWs) bands (ev): -26.7459 -26.7459 -9.2857 -9.2857 -8.7806 -8.7806 -8.5963 -8.5963 12.7245 12.7245 13.9640 13.9640 14.6088 14.6088 20.6724 20.6724 21.8374 21.8375 k = 0.3412 0.5000 0.3412 ( 638 PWs) bands (ev): -26.7585 -26.7585 -9.2947 -9.2947 -8.7610 -8.7610 -8.5714 -8.5714 12.7112 12.7112 14.0234 14.0234 14.7090 14.7090 20.5152 20.5152 21.6998 21.6998 k = 0.3353 0.5000 0.3353 ( 638 PWs) bands (ev): -26.7713 -26.7713 -9.3045 -9.3045 -8.7402 -8.7402 -8.5457 -8.5457 12.6999 12.6999 14.0849 14.0849 14.8109 14.8109 20.3582 20.3582 21.5597 21.5597 k = 0.3294 0.5000 0.3294 ( 632 PWs) bands (ev): -26.7844 -26.7844 -9.3148 -9.3148 -8.7182 -8.7182 -8.5192 -8.5192 12.6907 12.6907 14.1484 14.1484 14.9143 14.9143 20.2019 20.2019 21.4178 21.4178 k = 0.3235 0.5000 0.3235 ( 632 PWs) bands (ev): -26.7977 -26.7977 -9.3259 -9.3259 -8.6953 -8.6953 -8.4921 -8.4921 12.6834 12.6834 14.2138 14.2138 15.0187 15.0187 20.0460 20.0460 21.2746 21.2746 k = 0.3176 0.5000 0.3176 ( 636 PWs) bands (ev): -26.8114 -26.8114 -9.3377 -9.3377 -8.6714 -8.6714 -8.4642 -8.4642 12.6783 12.6783 14.2809 14.2809 15.1237 15.1237 19.8909 19.8909 21.1307 21.1307 k = 0.3118 0.5000 0.3118 ( 636 PWs) bands (ev): -26.8252 -26.8252 -9.3498 -9.3498 -8.6465 -8.6465 -8.4357 -8.4357 12.6755 12.6755 14.3501 14.3501 15.2289 15.2289 19.7366 19.7366 20.9871 20.9871 k = 0.3059 0.5000 0.3059 ( 636 PWs) bands (ev): -26.8392 -26.8392 -9.3625 -9.3625 -8.6208 -8.6208 -8.4066 -8.4066 12.6749 12.6749 14.4211 14.4211 15.3338 15.3338 19.5833 19.5833 20.8443 20.8443 k = 0.3000 0.5000 0.3000 ( 644 PWs) bands (ev): -26.8534 -26.8534 -9.3757 -9.3757 -8.5944 -8.5944 -8.3770 -8.3770 12.6767 12.6767 14.4939 14.4939 15.4376 15.4376 19.4310 19.4310 20.7032 20.7032 k = 0.2941 0.5000 0.2941 ( 640 PWs) bands (ev): -26.8678 -26.8678 -9.3891 -9.3891 -8.5670 -8.5670 -8.3466 -8.3466 12.6811 12.6811 14.5686 14.5686 15.5399 15.5399 19.2801 19.2801 20.5647 20.5647 k = 0.2882 0.5000 0.2882 ( 640 PWs) bands (ev): -26.8823 -26.8823 -9.4030 -9.4030 -8.5389 -8.5389 -8.3157 -8.3157 12.6879 12.6879 14.6449 14.6449 15.6397 15.6397 19.1304 19.1304 20.4297 20.4297 k = 0.2824 0.5000 0.2824 ( 640 PWs) bands (ev): -26.8969 -26.8969 -9.4171 -9.4171 -8.5101 -8.5101 -8.2843 -8.2843 12.6973 12.6973 14.7228 14.7228 15.7361 15.7361 18.9821 18.9821 20.2993 20.2993 k = 0.2765 0.5000 0.2765 ( 640 PWs) bands (ev): -26.9117 -26.9117 -9.4316 -9.4316 -8.4807 -8.4807 -8.2525 -8.2525 12.7093 12.7093 14.8024 14.8024 15.8282 15.8282 18.8353 18.8353 20.1748 20.1748 k = 0.2706 0.5000 0.2706 ( 640 PWs) bands (ev): -26.9265 -26.9265 -9.4462 -9.4462 -8.4507 -8.4507 -8.2202 -8.2202 12.7239 12.7239 14.8836 14.8836 15.9146 15.9146 18.6901 18.6901 20.0573 20.0573 k = 0.2647 0.5000 0.2647 ( 640 PWs) bands (ev): -26.9414 -26.9414 -9.4611 -9.4611 -8.4201 -8.4201 -8.1876 -8.1876 12.7411 12.7411 14.9662 14.9662 15.9942 15.9942 18.5465 18.5465 19.9484 19.9484 k = 0.2588 0.5000 0.2588 ( 640 PWs) bands (ev): -26.9563 -26.9563 -9.4762 -9.4762 -8.3890 -8.3890 -8.1546 -8.1546 12.7610 12.7610 15.0503 15.0503 16.0654 16.0654 18.4047 18.4047 19.8495 19.8495 k = 0.2529 0.5000 0.2529 ( 644 PWs) bands (ev): -26.9712 -26.9712 -9.4914 -9.4914 -8.3576 -8.3576 -8.1213 -8.1213 12.7835 12.7835 15.1358 15.1358 16.1268 16.1268 18.2645 18.2645 19.7622 19.7622 k = 0.2471 0.5000 0.2471 ( 644 PWs) bands (ev): -26.9861 -26.9861 -9.5068 -9.5068 -8.3256 -8.3256 -8.0877 -8.0877 12.8087 12.8087 15.2226 15.2226 16.1769 16.1769 18.1264 18.1264 19.6881 19.6881 k = 0.2412 0.5000 0.2412 ( 642 PWs) bands (ev): -27.0010 -27.0010 -9.5222 -9.5222 -8.2932 -8.2932 -8.0539 -8.0539 12.8367 12.8367 15.3106 15.3106 16.2144 16.2144 17.9903 17.9903 19.6286 19.6286 k = 0.2353 0.5000 0.2353 ( 638 PWs) bands (ev): -27.0159 -27.0159 -9.5375 -9.5375 -8.2606 -8.2606 -8.0198 -8.0198 12.8674 12.8674 15.3999 15.3999 16.2379 16.2379 17.8563 17.8563 19.5849 19.5849 k = 0.2294 0.5000 0.2294 ( 638 PWs) bands (ev): -27.0307 -27.0307 -9.5530 -9.5530 -8.2277 -8.2277 -7.9857 -7.9857 12.9006 12.9006 15.4901 15.4901 16.2467 16.2467 17.7244 17.7244 19.5578 19.5578 k = 0.2235 0.5000 0.2235 ( 638 PWs) bands (ev): -27.0454 -27.0454 -9.5685 -9.5685 -8.1946 -8.1946 -7.9514 -7.9514 12.9366 12.9366 15.5814 15.5814 16.2404 16.2404 17.5946 17.5946 19.5475 19.5475 k = 0.2176 0.5000 0.2176 ( 642 PWs) bands (ev): -27.0600 -27.0600 -9.5840 -9.5840 -8.1614 -8.1614 -7.9172 -7.9172 12.9751 12.9751 15.6736 15.6736 16.2193 16.2193 17.4672 17.4672 19.5537 19.5537 k = 0.2118 0.5000 0.2118 ( 642 PWs) bands (ev): -27.0745 -27.0745 -9.5994 -9.5994 -8.1281 -8.1281 -7.8829 -7.8829 13.0164 13.0164 15.7666 15.7666 16.1840 16.1840 17.3421 17.3421 19.5761 19.5762 k = 0.2059 0.5000 0.2059 ( 642 PWs) bands (ev): -27.0889 -27.0889 -9.6147 -9.6147 -8.0946 -8.0946 -7.8487 -7.8487 13.0602 13.0602 15.8603 15.8603 16.1357 16.1357 17.2194 17.2194 19.6133 19.6133 k = 0.2000 0.5000 0.2000 ( 634 PWs) bands (ev): -27.1030 -27.1030 -9.6298 -9.6298 -8.0610 -8.0610 -7.8144 -7.8144 13.1067 13.1067 15.9546 15.9546 16.0760 16.0760 17.0993 17.0993 19.6639 19.6639 k = 0.1941 0.5000 0.1941 ( 634 PWs) bands (ev): -27.1170 -27.1170 -9.6449 -9.6449 -8.0277 -8.0277 -7.7804 -7.7804 13.1556 13.1556 16.0055 16.0055 16.0500 16.0500 16.9817 16.9817 19.7259 19.7259 k = 0.1882 0.5000 0.1882 ( 634 PWs) bands (ev): -27.1308 -27.1308 -9.6598 -9.6598 -7.9945 -7.9945 -7.7466 -7.7466 13.2069 13.2069 15.9275 15.9275 16.1449 16.1449 16.8666 16.8666 19.7977 19.7977 k = 0.1824 0.5000 0.1824 ( 634 PWs) bands (ev): -27.1444 -27.1444 -9.6746 -9.6746 -7.9615 -7.9615 -7.7131 -7.7131 13.2608 13.2608 15.8425 15.8425 16.2403 16.2403 16.7543 16.7543 19.8777 19.8777 k = 0.1765 0.5000 0.1765 ( 642 PWs) bands (ev): -27.1578 -27.1578 -9.6891 -9.6891 -7.9289 -7.9289 -7.6799 -7.6799 13.3169 13.3169 15.7521 15.7521 16.3357 16.3357 16.6445 16.6445 19.9641 19.9641 k = 0.1706 0.5000 0.1706 ( 642 PWs) bands (ev): -27.1709 -27.1709 -9.7034 -9.7034 -7.8964 -7.8964 -7.6471 -7.6471 13.3754 13.3754 15.6576 15.6576 16.4312 16.4312 16.5379 16.5379 20.0558 20.0558 k = 0.1647 0.5000 0.1647 ( 642 PWs) bands (ev): -27.1838 -27.1838 -9.7174 -9.7174 -7.8643 -7.8643 -7.6146 -7.6146 13.4362 13.4362 15.5603 15.5603 16.4337 16.4337 16.5267 16.5267 20.1514 20.1514 k = 0.1588 0.5000 0.1588 ( 642 PWs) bands (ev): -27.1963 -27.1963 -9.7312 -9.7312 -7.8327 -7.8327 -7.5826 -7.5826 13.4992 13.4992 15.4612 15.4612 16.3329 16.3329 16.6216 16.6216 20.2497 20.2497 k = 0.1529 0.5000 0.1529 ( 640 PWs) bands (ev): -27.2085 -27.2085 -9.7446 -9.7446 -7.8015 -7.8015 -7.5510 -7.5510 13.5643 13.5643 15.3611 15.3611 16.2350 16.2350 16.7160 16.7160 20.3496 20.3496 k = 0.1471 0.5000 0.1471 ( 640 PWs) bands (ev): -27.2204 -27.2204 -9.7577 -9.7577 -7.7709 -7.7709 -7.5201 -7.5201 13.6314 13.6314 15.2608 15.2608 16.1402 16.1402 16.8098 16.8098 20.4502 20.4502 k = 0.1412 0.5000 0.1412 ( 640 PWs) bands (ev): -27.2320 -27.2320 -9.7705 -9.7705 -7.7408 -7.7408 -7.4898 -7.4898 13.7003 13.7003 15.1611 15.1611 16.0486 16.0486 16.9027 16.9027 20.5508 20.5508 k = 0.1353 0.5000 0.1353 ( 628 PWs) bands (ev): -27.2432 -27.2432 -9.7827 -9.7827 -7.7114 -7.7114 -7.4600 -7.4600 13.7711 13.7711 15.0626 15.0626 15.9603 15.9603 16.9947 16.9947 20.5834 20.5835 k = 0.1294 0.5000 0.1294 ( 628 PWs) bands (ev): -27.2541 -27.2541 -9.7948 -9.7948 -7.6828 -7.6828 -7.4311 -7.4311 13.8435 13.8435 14.9656 14.9656 15.8751 15.8751 17.0853 17.0853 20.4360 20.4360 k = 0.1235 0.5000 0.1235 ( 628 PWs) bands (ev): -27.2646 -27.2646 -9.8064 -9.8064 -7.6550 -7.6550 -7.4030 -7.4030 13.9173 13.9173 14.8706 14.8706 15.7933 15.7933 17.1743 17.1743 20.2901 20.2901 k = 0.1176 0.5000 0.1176 ( 628 PWs) bands (ev): -27.2747 -27.2747 -9.8177 -9.8177 -7.6280 -7.6280 -7.3758 -7.3758 13.9925 13.9925 14.7781 14.7781 15.7148 15.7148 17.2616 17.2616 20.1460 20.1460 k = 0.1118 0.5000 0.1118 ( 632 PWs) bands (ev): -27.2844 -27.2844 -9.8285 -9.8285 -7.6021 -7.6021 -7.3495 -7.3495 14.0688 14.0688 14.6884 14.6884 15.6395 15.6395 17.3470 17.3470 20.0039 20.0039 k = 0.1059 0.5000 0.1059 ( 632 PWs) bands (ev): -27.2936 -27.2936 -9.8388 -9.8388 -7.5770 -7.5770 -7.3241 -7.3241 14.1460 14.1460 14.6018 14.6018 15.5680 15.5680 17.4302 17.4302 19.8641 19.8641 k = 0.1000 0.5000 0.1000 ( 632 PWs) bands (ev): -27.3025 -27.3025 -9.8487 -9.8487 -7.5530 -7.5530 -7.2998 -7.2998 14.2239 14.2239 14.5187 14.5187 15.5000 15.5000 17.5109 17.5109 19.7269 19.7269 k = 0.0941 0.5000 0.0941 ( 632 PWs) bands (ev): -27.3108 -27.3108 -9.8581 -9.8581 -7.5300 -7.5300 -7.2765 -7.2765 14.3020 14.3020 14.4394 14.4394 15.4356 15.4356 17.5890 17.5890 19.5925 19.5925 k = 0.0882 0.5000 0.0882 ( 632 PWs) bands (ev): -27.3188 -27.3188 -9.8670 -9.8670 -7.5082 -7.5082 -7.2543 -7.2543 14.3592 14.3592 14.3849 14.3849 15.3748 15.3748 17.6641 17.6641 19.4613 19.4613 k = 0.0824 0.5000 0.0824 ( 636 PWs) bands (ev): -27.3263 -27.3263 -9.8754 -9.8754 -7.4876 -7.4876 -7.2333 -7.2333 14.2908 14.2908 14.4599 14.4599 15.3177 15.3177 17.7361 17.7361 19.3336 19.3336 k = 0.0765 0.5000 0.0765 ( 632 PWs) bands (ev): -27.3333 -27.3333 -9.8832 -9.8832 -7.4681 -7.4681 -7.2135 -7.2135 14.2236 14.2236 14.5373 14.5373 15.2644 15.2644 17.8046 17.8046 19.2100 19.2100 k = 0.0706 0.5000 0.0706 ( 632 PWs) bands (ev): -27.3398 -27.3398 -9.8905 -9.8905 -7.4500 -7.4500 -7.1949 -7.1949 14.1606 14.1606 14.6138 14.6138 15.2149 15.2149 17.8693 17.8693 19.0908 19.0908 k = 0.0647 0.5000 0.0647 ( 632 PWs) bands (ev): -27.3458 -27.3458 -9.8973 -9.8973 -7.4331 -7.4331 -7.1777 -7.1777 14.1021 14.1021 14.6887 14.6887 15.1691 15.1691 17.9300 17.9300 18.9765 18.9765 k = 0.0588 0.5000 0.0588 ( 632 PWs) bands (ev): -27.3513 -27.3513 -9.9035 -9.9035 -7.4175 -7.4175 -7.1618 -7.1618 14.0483 14.0483 14.7613 14.7613 15.1272 15.1272 17.9865 17.9865 18.8679 18.8679 k = 0.0529 0.5000 0.0529 ( 628 PWs) bands (ev): -27.3563 -27.3563 -9.9092 -9.9092 -7.4033 -7.4033 -7.1472 -7.1472 13.9993 13.9993 14.8311 14.8311 15.0894 15.0894 18.0385 18.0385 18.7655 18.7655 k = 0.0471 0.5000 0.0471 ( 628 PWs) bands (ev): -27.3609 -27.3609 -9.9143 -9.9143 -7.3905 -7.3905 -7.1341 -7.1341 13.9551 13.9551 14.8971 14.8971 15.0553 15.0553 18.0857 18.0857 18.6703 18.6703 k = 0.0412 0.5000 0.0412 ( 628 PWs) bands (ev): -27.3648 -27.3648 -9.9188 -9.9188 -7.3792 -7.3792 -7.1225 -7.1225 13.9160 13.9160 14.9586 14.9586 15.0252 15.0252 18.1280 18.1280 18.5829 18.5829 k = 0.0353 0.5000 0.0353 ( 628 PWs) bands (ev): -27.3683 -27.3683 -9.9227 -9.9227 -7.3693 -7.3693 -7.1123 -7.1123 13.8819 13.8819 14.9984 14.9984 15.0154 15.0154 18.1650 18.1650 18.5044 18.5044 k = 0.0294 0.5000 0.0294 ( 628 PWs) bands (ev): -27.3713 -27.3713 -9.9260 -9.9260 -7.3609 -7.3609 -7.1037 -7.1037 13.8529 13.8529 14.9766 14.9766 15.0648 15.0648 18.1967 18.1967 18.4357 18.4357 k = 0.0235 0.5000 0.0235 ( 638 PWs) bands (ev): -27.3737 -27.3737 -9.9289 -9.9289 -7.3542 -7.3542 -7.0967 -7.0967 13.8290 13.8290 14.9582 14.9582 15.1072 15.1072 18.2227 18.2227 18.3775 18.3775 k = 0.0176 0.5000 0.0176 ( 638 PWs) bands (ev): -27.3756 -27.3756 -9.9311 -9.9311 -7.3488 -7.3488 -7.0912 -7.0912 13.8105 13.8105 14.9440 14.9440 15.1414 15.1414 18.2431 18.2431 18.3313 18.3313 k = 0.0118 0.5000 0.0118 ( 642 PWs) bands (ev): -27.3770 -27.3770 -9.9326 -9.9326 -7.3450 -7.3450 -7.0873 -7.0873 13.7972 13.7972 14.9337 14.9337 15.1665 15.1665 18.2576 18.2576 18.2978 18.2978 k = 0.0059 0.5000 0.0059 ( 642 PWs) bands (ev): -27.3778 -27.3778 -9.9335 -9.9335 -7.3427 -7.3427 -7.0849 -7.0849 13.7892 13.7892 14.9276 14.9276 15.1819 15.1819 18.2653 18.2653 18.2785 18.2785 k = 0.0000 0.5000-0.0000 ( 642 PWs) bands (ev): -27.3780 -27.3780 -9.9338 -9.9338 -7.3420 -7.3420 -7.0841 -7.0841 13.7866 13.7866 14.9256 14.9256 15.1871 15.1871 18.2655 18.2655 18.2744 18.2744 k = 0.5000 0.5000-0.0000 ( 624 PWs) bands (ev): -26.9615 -26.9615 -9.5670 -9.5670 -9.3310 -9.3310 -6.9855 -6.9855 10.9216 10.9216 15.8946 15.8946 19.0824 19.0824 19.0924 19.0924 21.2454 21.2454 k = 0.5000 0.5000 0.0082 ( 636 PWs) bands (ev): -26.9613 -26.9613 -9.5668 -9.5668 -9.3309 -9.3309 -6.9873 -6.9873 10.9227 10.9227 15.8983 15.8983 19.0665 19.0665 19.0769 19.0769 21.2616 21.2616 k = 0.5000 0.5000 0.0164 ( 640 PWs) bands (ev): -26.9606 -26.9606 -9.5662 -9.5662 -9.3302 -9.3302 -6.9918 -6.9918 10.9257 10.9257 15.9097 15.9097 19.0212 19.0212 19.0327 19.0327 21.3090 21.3090 k = 0.5000 0.5000 0.0246 ( 640 PWs) bands (ev): -26.9593 -26.9593 -9.5650 -9.5650 -9.3289 -9.3289 -6.9993 -6.9993 10.9311 10.9311 15.9288 15.9288 18.9497 18.9497 18.9628 18.9628 21.3840 21.3841 k = 0.5000 0.5000 0.0328 ( 640 PWs) bands (ev): -26.9576 -26.9576 -9.5633 -9.5633 -9.3271 -9.3271 -7.0098 -7.0098 10.9386 10.9386 15.9555 15.9555 18.8566 18.8566 18.8714 18.8714 21.4820 21.4820 k = 0.5000 0.5000 0.0410 ( 640 PWs) bands (ev): -26.9554 -26.9554 -9.5611 -9.5611 -9.3248 -9.3248 -7.0231 -7.0231 10.9482 10.9482 15.9897 15.9897 18.7466 18.7466 18.7631 18.7631 21.5983 21.5983 k = 0.5000 0.5000 0.0492 ( 640 PWs) bands (ev): -26.9528 -26.9528 -9.5585 -9.5585 -9.3220 -9.3220 -7.0394 -7.0394 10.9599 10.9599 16.0315 16.0315 18.6237 18.6237 18.6417 18.6417 21.7288 21.7288 k = 0.5000 0.5000 0.0574 ( 640 PWs) bands (ev): -26.9496 -26.9496 -9.5554 -9.5554 -9.3188 -9.3188 -7.0584 -7.0584 10.9737 10.9737 16.0806 16.0806 18.4912 18.4912 18.5104 18.5104 21.8704 21.8704 k = 0.5000 0.5000 0.0656 ( 640 PWs) bands (ev): -26.9460 -26.9460 -9.5518 -9.5518 -9.3150 -9.3150 -7.0802 -7.0802 10.9896 10.9896 16.1371 16.1371 18.3517 18.3517 18.3719 18.3719 22.0204 22.0204 k = 0.5000 0.5000 0.0738 ( 640 PWs) bands (ev): -26.9419 -26.9419 -9.5478 -9.5478 -9.3108 -9.3108 -7.1046 -7.1046 11.0077 11.0077 16.2008 16.2008 18.2070 18.2070 18.2280 18.2280 22.1769 22.1769 k = 0.5000 0.5000 0.0820 ( 640 PWs) bands (ev): -26.9374 -26.9374 -9.5433 -9.5433 -9.3061 -9.3061 -7.1316 -7.1316 11.0277 11.0277 16.2716 16.2716 18.0587 18.0587 18.0803 18.0803 22.3385 22.3385 k = 0.5000 0.5000 0.0902 ( 640 PWs) bands (ev): -26.9324 -26.9324 -9.5384 -9.5384 -9.3009 -9.3009 -7.1611 -7.1611 11.0499 11.0499 16.3495 16.3495 17.9080 17.9080 17.9299 17.9299 22.5039 22.5039 k = 0.5000 0.5000 0.0984 ( 632 PWs) bands (ev): -26.9270 -26.9270 -9.5331 -9.5331 -9.2953 -9.2953 -7.1926 -7.1926 11.0740 11.0740 16.4346 16.4346 17.7558 17.7558 17.7779 17.7779 22.6724 22.6724 k = 0.5000 0.5000 0.1066 ( 636 PWs) bands (ev): -26.9212 -26.9212 -9.5275 -9.5275 -9.2893 -9.2893 -7.2269 -7.2269 11.1002 11.1002 16.5260 16.5260 17.6026 17.6026 17.6248 17.6248 22.8431 22.8431 k = 0.5000 0.5000 0.1148 ( 636 PWs) bands (ev): -26.9150 -26.9150 -9.5214 -9.5214 -9.2828 -9.2828 -7.2632 -7.2632 11.1284 11.1284 16.6241 16.6241 17.4491 17.4491 17.4713 17.4713 23.0155 23.0155 k = 0.5000 0.5000 0.1230 ( 636 PWs) bands (ev): -26.9084 -26.9084 -9.5149 -9.5149 -9.2760 -9.2760 -7.3015 -7.3015 11.1585 11.1585 16.7287 16.7287 17.2959 17.2959 17.3179 17.3179 23.1893 23.1893 k = 0.5000 0.5000 0.1311 ( 636 PWs) bands (ev): -26.9015 -26.9015 -9.5081 -9.5081 -9.2687 -9.2687 -7.3416 -7.3416 11.1905 11.1905 16.8396 16.8396 17.1431 17.1431 17.1649 17.1649 23.3639 23.3639 k = 0.5000 0.5000 0.1393 ( 636 PWs) bands (ev): -26.8942 -26.8942 -9.5010 -9.5010 -9.2611 -9.2611 -7.3836 -7.3836 11.2245 11.2245 16.9567 16.9567 16.9913 16.9913 17.0128 17.0128 23.5180 23.5391 k = 0.5000 0.5000 0.1475 ( 636 PWs) bands (ev): -26.8865 -26.8865 -9.4936 -9.4936 -9.2532 -9.2532 -7.4271 -7.4271 11.2603 11.2603 16.8406 16.8406 16.8618 16.8618 17.0797 17.0797 23.5218 23.5218 k = 0.5000 0.5000 0.1557 ( 628 PWs) bands (ev): -26.8785 -26.8785 -9.4857 -9.4857 -9.2448 -9.2448 -7.4720 -7.4720 11.2981 11.2981 16.6915 16.6915 16.7123 16.7123 17.2085 17.2085 23.5259 23.5259 k = 0.5000 0.5000 0.1639 ( 628 PWs) bands (ev): -26.8703 -26.8703 -9.4777 -9.4777 -9.2362 -9.2362 -7.5184 -7.5184 11.3375 11.3375 16.5438 16.5438 16.5642 16.5642 17.3428 17.3428 23.5301 23.5301 k = 0.5000 0.5000 0.1721 ( 628 PWs) bands (ev): -26.8617 -26.8617 -9.4694 -9.4694 -9.2273 -9.2273 -7.5659 -7.5659 11.3786 11.3786 16.3978 16.3978 16.4178 16.4178 17.4826 17.4826 23.5345 23.5345 k = 0.5000 0.5000 0.1803 ( 636 PWs) bands (ev): -26.8530 -26.8530 -9.4611 -9.4611 -9.2183 -9.2183 -7.6146 -7.6146 11.4215 11.4215 16.2537 16.2537 16.2732 16.2732 17.6275 17.6275 23.5387 23.5387 k = 0.5000 0.5000 0.1885 ( 636 PWs) bands (ev): -26.8440 -26.8440 -9.4524 -9.4524 -9.2089 -9.2089 -7.6641 -7.6641 11.4660 11.4660 16.1119 16.1119 16.1308 16.1308 17.7774 17.7774 23.5433 23.5433 k = 0.5000 0.5000 0.1967 ( 636 PWs) bands (ev): -26.8347 -26.8347 -9.4436 -9.4436 -9.1993 -9.1993 -7.7144 -7.7144 11.5120 11.5120 15.9723 15.9723 15.9907 15.9907 17.9321 17.9321 23.5480 23.5480 k = 0.5000 0.5000 0.2049 ( 636 PWs) bands (ev): -26.8253 -26.8253 -9.4346 -9.4346 -9.1895 -9.1895 -7.7652 -7.7652 11.5596 11.5596 15.8351 15.8351 15.8530 15.8530 18.0913 18.0913 23.5527 23.5527 k = 0.5000 0.5000 0.2131 ( 636 PWs) bands (ev): -26.8157 -26.8157 -9.4254 -9.4254 -9.1795 -9.1795 -7.8165 -7.8165 11.6087 11.6087 15.7004 15.7004 15.7178 15.7178 18.2548 18.2548 23.5576 23.5576 k = 0.5000 0.5000 0.2213 ( 636 PWs) bands (ev): -26.8059 -26.8059 -9.4162 -9.4162 -9.1694 -9.1694 -7.8681 -7.8681 11.6591 11.6591 15.5683 15.5683 15.5851 15.5851 18.4224 18.4224 23.5625 23.5625 k = 0.5000 0.5000 0.2295 ( 636 PWs) bands (ev): -26.7961 -26.7961 -9.4070 -9.4070 -9.1592 -9.1592 -7.9199 -7.9199 11.7109 11.7109 15.4390 15.4390 15.4552 15.4552 18.5939 18.5939 23.5674 23.5674 k = 0.5000 0.5000 0.2377 ( 636 PWs) bands (ev): -26.7861 -26.7861 -9.3977 -9.3977 -9.1488 -9.1488 -7.9716 -7.9716 11.7639 11.7639 15.3124 15.3124 15.3281 15.3281 18.7689 18.7689 23.5724 23.5724 k = 0.5000 0.5000 0.2459 ( 636 PWs) bands (ev): -26.7761 -26.7761 -9.3884 -9.3884 -9.1384 -9.1384 -8.0233 -8.0233 11.8180 11.8180 15.1889 15.1889 15.2040 15.2040 18.9472 18.9472 23.5775 23.5775 k = 0.5000 0.5000 0.2541 ( 636 PWs) bands (ev): -26.7661 -26.7661 -9.3792 -9.3792 -9.1280 -9.1280 -8.0746 -8.0746 11.8731 11.8731 15.0683 15.0683 15.0829 15.0829 19.1286 19.1286 23.5825 23.5825 k = 0.5000 0.5000 0.2623 ( 636 PWs) bands (ev): -26.7560 -26.7560 -9.3701 -9.3701 -9.1175 -9.1175 -8.1255 -8.1255 11.9292 11.9292 14.9508 14.9508 14.9649 14.9649 19.3127 19.3127 23.5875 23.5875 k = 0.5000 0.5000 0.2705 ( 644 PWs) bands (ev): -26.7460 -26.7460 -9.3611 -9.3611 -9.1072 -9.1072 -8.1761 -8.1761 11.9861 11.9861 14.8364 14.8364 14.8499 14.8499 19.4993 19.4993 23.5924 23.5924 k = 0.5000 0.5000 0.2787 ( 644 PWs) bands (ev): -26.7360 -26.7360 -9.3523 -9.3523 -9.0968 -9.0968 -8.2257 -8.2257 12.0437 12.0437 14.7254 14.7254 14.7383 14.7383 19.6882 19.6882 23.5974 23.5974 k = 0.5000 0.5000 0.2869 ( 644 PWs) bands (ev): -26.7260 -26.7260 -9.3436 -9.3436 -9.0865 -9.0865 -8.2745 -8.2745 12.1019 12.1019 14.6178 14.6178 14.6302 14.6302 19.8789 19.8789 23.6022 23.6022 k = 0.5000 0.5000 0.2951 ( 640 PWs) bands (ev): -26.7161 -26.7161 -9.3351 -9.3351 -9.0762 -9.0762 -8.3222 -8.3222 12.1606 12.1606 14.5136 14.5136 14.5255 14.5255 20.0713 20.0713 23.6019 23.6019 k = 0.5000 0.5000 0.3033 ( 640 PWs) bands (ev): -26.7064 -26.7064 -9.3270 -9.3270 -9.0661 -9.0661 -8.3690 -8.3690 12.2195 12.2195 14.4129 14.4129 14.4242 14.4242 20.2648 20.2648 23.4466 23.4466 k = 0.5000 0.5000 0.3115 ( 640 PWs) bands (ev): -26.6968 -26.6968 -9.3191 -9.3191 -9.0562 -9.0562 -8.4145 -8.4145 12.2786 12.2786 14.3158 14.3158 14.3266 14.3266 20.4590 20.4590 23.2885 23.2885 k = 0.5000 0.5000 0.3197 ( 648 PWs) bands (ev): -26.6875 -26.6875 -9.3117 -9.3117 -9.0465 -9.0465 -8.4589 -8.4589 12.3377 12.3377 14.2221 14.2221 14.2325 14.2325 20.6535 20.6535 23.1337 23.1337 k = 0.5000 0.5000 0.3279 ( 648 PWs) bands (ev): -26.6783 -26.6783 -9.3046 -9.3046 -9.0369 -9.0369 -8.5016 -8.5016 12.3966 12.3966 14.1323 14.1323 14.1422 14.1422 20.8482 20.8482 22.9826 22.9826 k = 0.5000 0.5000 0.3361 ( 648 PWs) bands (ev): -26.6693 -26.6693 -9.2980 -9.2980 -9.0276 -9.0276 -8.5426 -8.5426 12.4551 12.4551 14.0463 14.0463 14.0557 14.0557 21.0425 21.0425 22.8355 22.8355 k = 0.5000 0.5000 0.3443 ( 648 PWs) bands (ev): -26.6606 -26.6606 -9.2919 -9.2919 -9.0185 -9.0185 -8.5819 -8.5819 12.5131 12.5131 13.9641 13.9641 13.9730 13.9730 21.2359 21.2359 22.6926 22.6926 k = 0.5000 0.5000 0.3525 ( 648 PWs) bands (ev): -26.6521 -26.6521 -9.2863 -9.2863 -9.0098 -9.0098 -8.6193 -8.6193 12.5702 12.5702 13.8858 13.8858 13.8943 13.8943 21.4278 21.4278 22.5543 22.5543 k = 0.5000 0.5000 0.3607 ( 648 PWs) bands (ev): -26.6440 -26.6440 -9.2814 -9.2814 -9.0013 -9.0013 -8.6548 -8.6548 12.6263 12.6263 13.8113 13.8113 13.8194 13.8194 21.6178 21.6178 22.4210 22.4210 k = 0.5000 0.5000 0.3689 ( 648 PWs) bands (ev): -26.6361 -26.6361 -9.2771 -9.2771 -8.9932 -8.9932 -8.6882 -8.6882 12.6812 12.6812 13.7409 13.7409 13.7486 13.7486 21.8051 21.8051 22.2929 22.2929 k = 0.5000 0.5000 0.3770 ( 648 PWs) bands (ev): -26.6287 -26.6287 -9.2735 -9.2735 -8.9855 -8.9855 -8.7194 -8.7194 12.7346 12.7346 13.6745 13.6745 13.6818 13.6818 21.9891 21.9891 22.1704 22.1704 k = 0.5000 0.5000 0.3852 ( 648 PWs) bands (ev): -26.6216 -26.6216 -9.2706 -9.2706 -8.9781 -8.9781 -8.7484 -8.7484 12.7863 12.7863 13.6121 13.6121 13.6191 13.6191 22.0537 22.0537 22.1691 22.1691 k = 0.5000 0.5000 0.3934 ( 648 PWs) bands (ev): -26.6149 -26.6149 -9.2684 -9.2684 -8.9711 -8.9711 -8.7751 -8.7751 12.8359 12.8359 13.5539 13.5539 13.5605 13.5605 21.9433 21.9433 22.3442 22.3442 k = 0.5000 0.5000 0.4016 ( 640 PWs) bands (ev): -26.6085 -26.6085 -9.2667 -9.2667 -8.9644 -8.9644 -8.7994 -8.7994 12.8836 12.8836 13.4999 13.4999 13.5062 13.5062 21.8394 21.8394 22.5136 22.5137 k = 0.5000 0.5000 0.4098 ( 640 PWs) bands (ev): -26.6027 -26.6027 -9.2659 -9.2659 -8.9583 -8.9583 -8.8214 -8.8214 12.9285 12.9285 13.4500 13.4500 13.4560 13.4560 21.7423 21.7423 22.6763 22.6763 k = 0.5000 0.5000 0.4180 ( 640 PWs) bands (ev): -26.5973 -26.5973 -9.2658 -9.2658 -8.9527 -8.9527 -8.8411 -8.8411 12.9707 12.9707 13.4043 13.4043 13.4101 13.4101 21.6524 21.6524 22.8312 22.8312 k = 0.5000 0.5000 0.4262 ( 640 PWs) bands (ev): -26.5923 -26.5923 -9.2662 -9.2662 -8.9476 -8.9476 -8.8584 -8.8584 13.0097 13.0097 13.3629 13.3629 13.3684 13.3684 21.5700 21.5700 22.9771 22.9771 k = 0.5000 0.5000 0.4344 ( 640 PWs) bands (ev): -26.5878 -26.5878 -9.2671 -9.2671 -8.9430 -8.9430 -8.8734 -8.8734 13.0455 13.0455 13.3258 13.3258 13.3311 13.3311 21.4953 21.4953 23.1129 23.1129 k = 0.5000 0.5000 0.4426 ( 632 PWs) bands (ev): -26.5838 -26.5838 -9.2682 -9.2682 -8.9387 -8.9387 -8.8862 -8.8862 13.0778 13.0778 13.2931 13.2931 13.2982 13.2982 21.4287 21.4287 23.2372 23.2373 k = 0.5000 0.5000 0.4508 ( 632 PWs) bands (ev): -26.5803 -26.5803 -9.2697 -9.2697 -8.9351 -8.9351 -8.8971 -8.8971 13.1063 13.1063 13.2646 13.2646 13.2696 13.2696 21.3703 21.3703 23.3487 23.3488 k = 0.5000 0.5000 0.4590 ( 632 PWs) bands (ev): -26.5774 -26.5774 -9.2713 -9.2713 -8.9320 -8.9320 -8.9060 -8.9060 13.1307 13.1307 13.2404 13.2404 13.2453 13.2453 21.3206 21.3206 23.4461 23.4461 k = 0.5000 0.5000 0.4672 ( 624 PWs) bands (ev): -26.5749 -26.5749 -9.2726 -9.2726 -8.9294 -8.9294 -8.9128 -8.9128 13.1510 13.1510 13.2209 13.2209 13.2257 13.2257 21.2795 21.2795 23.5280 23.5280 k = 0.5000 0.5000 0.4754 ( 624 PWs) bands (ev): -26.5730 -26.5730 -9.2740 -9.2740 -8.9275 -8.9275 -8.9182 -8.9182 13.1669 13.1669 13.2055 13.2055 13.2103 13.2103 21.2474 21.2474 23.5932 23.5935 k = 0.5000 0.5000 0.4836 ( 624 PWs) bands (ev): -26.5717 -26.5717 -9.2750 -9.2750 -8.9260 -8.9260 -8.9220 -8.9220 13.1781 13.1781 13.1945 13.1945 13.1994 13.1994 21.2244 21.2244 23.6405 23.6405 k = 0.5000 0.5000 0.4918 ( 624 PWs) bands (ev): -26.5708 -26.5708 -9.2756 -9.2756 -8.9252 -8.9252 -8.9242 -8.9242 13.1843 13.1843 13.1879 13.1879 13.1936 13.1936 21.2105 21.2105 23.6693 23.6694 k = 0.5000 0.5000 0.5000 ( 624 PWs) bands (ev): -26.5706 -26.5706 -9.2759 -9.2759 -8.9249 -8.9249 -8.9249 -8.9249 13.1857 13.1857 13.1857 13.1857 13.1923 13.1923 21.2059 21.2059 23.6789 23.6789 Writing output data file Ca.save init_run : 0.14s CPU 0.50s WALL ( 1 calls) electrons : 40.00s CPU 43.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 40.00s CPU 43.98s 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 : 0.02s CPU 0.02s WALL ( 464 calls) cegterg : 37.60s CPU 38.58s WALL ( 760 calls) Called by sum_band: Called by *egterg: h_psi : 13.70s CPU 14.27s WALL ( 12125 calls) s_psi : 0.53s CPU 0.52s WALL ( 12125 calls) g_psi : 0.03s CPU 0.03s WALL ( 10901 calls) cdiaghg : 21.26s CPU 21.71s WALL ( 11365 calls) cegterg:over : 1.28s CPU 1.18s WALL ( 10901 calls) cegterg:upda : 0.82s CPU 0.89s WALL ( 10901 calls) cegterg:last : 0.44s CPU 0.48s WALL ( 2157 calls) cdiaghg:chol : 1.16s CPU 1.19s WALL ( 11365 calls) cdiaghg:inve : 0.28s CPU 0.26s WALL ( 11365 calls) cdiaghg:para : 1.55s CPU 1.60s WALL ( 22730 calls) Called by h_psi: h_psi:vloc : 12.31s CPU 12.96s WALL ( 12125 calls) h_psi:vnl : 1.37s CPU 1.28s WALL ( 12125 calls) add_vuspsi : 0.74s CPU 0.65s WALL ( 12125 calls) General routines calbec : 0.60s CPU 0.61s WALL ( 12125 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.66s CPU 12.31s WALL ( 461316 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.15s WALL ( 928 calls) Parallel routines fft_scatter : 7.48s CPU 7.72s WALL ( 461339 calls) PWSCF : 0m45.85s CPU 1m22.37s WALL This run was terminated on: 16:16: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=