Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 5:14 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: ./NaCl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 17 5 428 321 57 Max 21 18 6 433 332 62 Sum 749 621 193 15515 11753 2103 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.4046 a.u. unit-cell volume = 157.8682 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.404616 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Na 9.00 22.98980 Na( 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= 423 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 2) = ( 0.0000000 0.0090909 -0.0000000), wk = 0.0023641 k( 3) = ( 0.0000000 0.0181818 -0.0000000), wk = 0.0023641 k( 4) = ( 0.0000000 0.0272727 -0.0000000), wk = 0.0023641 k( 5) = ( 0.0000000 0.0363636 -0.0000000), wk = 0.0023641 k( 6) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0023641 k( 7) = ( 0.0000000 0.0545455 -0.0000000), wk = 0.0023641 k( 8) = ( 0.0000000 0.0636364 -0.0000000), wk = 0.0023641 k( 9) = ( 0.0000000 0.0727273 -0.0000000), wk = 0.0023641 k( 10) = ( 0.0000000 0.0818182 -0.0000000), wk = 0.0023641 k( 11) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0023641 k( 12) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0023641 k( 13) = ( 0.0000000 0.1090909 -0.0000000), wk = 0.0023641 k( 14) = ( 0.0000000 0.1181818 -0.0000000), wk = 0.0023641 k( 15) = ( 0.0000000 0.1272727 -0.0000000), wk = 0.0023641 k( 16) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0023641 k( 17) = ( 0.0000000 0.1454545 -0.0000000), wk = 0.0023641 k( 18) = ( 0.0000000 0.1545455 -0.0000000), wk = 0.0023641 k( 19) = ( 0.0000000 0.1636364 -0.0000000), wk = 0.0023641 k( 20) = ( 0.0000000 0.1727273 -0.0000000), wk = 0.0023641 k( 21) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0023641 k( 22) = ( 0.0000000 0.1909091 -0.0000000), wk = 0.0023641 k( 23) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0023641 k( 24) = ( 0.0000000 0.2090909 -0.0000000), wk = 0.0023641 k( 25) = ( 0.0000000 0.2181818 -0.0000000), wk = 0.0023641 k( 26) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0023641 k( 27) = ( 0.0000000 0.2363636 -0.0000000), wk = 0.0023641 k( 28) = ( 0.0000000 0.2454545 -0.0000000), wk = 0.0023641 k( 29) = ( 0.0000000 0.2545455 -0.0000000), wk = 0.0023641 k( 30) = ( 0.0000000 0.2636364 -0.0000000), wk = 0.0023641 k( 31) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0023641 k( 32) = ( 0.0000000 0.2818182 -0.0000000), wk = 0.0023641 k( 33) = ( 0.0000000 0.2909091 -0.0000000), wk = 0.0023641 k( 34) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0023641 k( 35) = ( 0.0000000 0.3090909 -0.0000000), wk = 0.0023641 k( 36) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0023641 k( 37) = ( 0.0000000 0.3272727 -0.0000000), wk = 0.0023641 k( 38) = ( 0.0000000 0.3363636 -0.0000000), wk = 0.0023641 k( 39) = ( 0.0000000 0.3454546 -0.0000000), wk = 0.0023641 k( 40) = ( 0.0000000 0.3545454 -0.0000000), wk = 0.0023641 k( 41) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0023641 k( 42) = ( 0.0000000 0.3727273 -0.0000000), wk = 0.0023641 k( 43) = ( 0.0000000 0.3818182 -0.0000000), wk = 0.0023641 k( 44) = ( 0.0000000 0.3909091 -0.0000000), wk = 0.0023641 k( 45) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0023641 k( 46) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0023641 k( 47) = ( 0.0000000 0.4181818 -0.0000000), wk = 0.0023641 k( 48) = ( 0.0000000 0.4272727 -0.0000000), wk = 0.0023641 k( 49) = ( 0.0000000 0.4363636 -0.0000000), wk = 0.0023641 k( 50) = ( 0.0000000 0.4454546 -0.0000000), wk = 0.0023641 k( 51) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0023641 k( 52) = ( 0.0000000 0.4636364 -0.0000000), wk = 0.0023641 k( 53) = ( 0.0000000 0.4727273 -0.0000000), wk = 0.0023641 k( 54) = ( 0.0000000 0.4818182 -0.0000000), wk = 0.0023641 k( 55) = ( 0.0000000 0.4909091 -0.0000000), wk = 0.0023641 k( 56) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023641 k( 57) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023641 k( 58) = ( 0.0090909 0.5000000 -0.0000000), wk = 0.0023641 k( 59) = ( 0.0181818 0.5000000 -0.0000000), wk = 0.0023641 k( 60) = ( 0.0272727 0.5000000 -0.0000000), wk = 0.0023641 k( 61) = ( 0.0363636 0.5000000 -0.0000000), wk = 0.0023641 k( 62) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0023641 k( 63) = ( 0.0545455 0.5000000 -0.0000000), wk = 0.0023641 k( 64) = ( 0.0636364 0.5000000 -0.0000000), wk = 0.0023641 k( 65) = ( 0.0727273 0.5000000 -0.0000000), wk = 0.0023641 k( 66) = ( 0.0818182 0.5000000 -0.0000000), wk = 0.0023641 k( 67) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0023641 k( 68) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0023641 k( 69) = ( 0.1090909 0.5000000 -0.0000000), wk = 0.0023641 k( 70) = ( 0.1181818 0.5000000 -0.0000000), wk = 0.0023641 k( 71) = ( 0.1272727 0.5000000 -0.0000000), wk = 0.0023641 k( 72) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0023641 k( 73) = ( 0.1454545 0.5000000 -0.0000000), wk = 0.0023641 k( 74) = ( 0.1545455 0.5000000 -0.0000000), wk = 0.0023641 k( 75) = ( 0.1636364 0.5000000 -0.0000000), wk = 0.0023641 k( 76) = ( 0.1727273 0.5000000 -0.0000000), wk = 0.0023641 k( 77) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0023641 k( 78) = ( 0.1909091 0.5000000 -0.0000000), wk = 0.0023641 k( 79) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0023641 k( 80) = ( 0.2090909 0.5000000 -0.0000000), wk = 0.0023641 k( 81) = ( 0.2181818 0.5000000 -0.0000000), wk = 0.0023641 k( 82) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0023641 k( 83) = ( 0.2363636 0.5000000 -0.0000000), wk = 0.0023641 k( 84) = ( 0.2454545 0.5000000 -0.0000000), wk = 0.0023641 k( 85) = ( 0.2545455 0.5000000 -0.0000000), wk = 0.0023641 k( 86) = ( 0.2636364 0.5000000 -0.0000000), wk = 0.0023641 k( 87) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0023641 k( 88) = ( 0.2818182 0.5000000 -0.0000000), wk = 0.0023641 k( 89) = ( 0.2909091 0.5000000 -0.0000000), wk = 0.0023641 k( 90) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023641 k( 91) = ( 0.3090909 0.5000000 -0.0000000), wk = 0.0023641 k( 92) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0023641 k( 93) = ( 0.3272727 0.5000000 -0.0000000), wk = 0.0023641 k( 94) = ( 0.3363636 0.5000000 -0.0000000), wk = 0.0023641 k( 95) = ( 0.3454546 0.5000000 -0.0000000), wk = 0.0023641 k( 96) = ( 0.3545454 0.5000000 -0.0000000), wk = 0.0023641 k( 97) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0023641 k( 98) = ( 0.3727273 0.5000000 -0.0000000), wk = 0.0023641 k( 99) = ( 0.3818182 0.5000000 -0.0000000), wk = 0.0023641 k( 100) = ( 0.3909091 0.5000000 -0.0000000), wk = 0.0023641 k( 101) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023641 k( 102) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0023641 k( 103) = ( 0.4181818 0.5000000 -0.0000000), wk = 0.0023641 k( 104) = ( 0.4272727 0.5000000 -0.0000000), wk = 0.0023641 k( 105) = ( 0.4363636 0.5000000 -0.0000000), wk = 0.0023641 k( 106) = ( 0.4454546 0.5000000 -0.0000000), wk = 0.0023641 k( 107) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0023641 k( 108) = ( 0.4636364 0.5000000 -0.0000000), wk = 0.0023641 k( 109) = ( 0.4727273 0.5000000 -0.0000000), wk = 0.0023641 k( 110) = ( 0.4818182 0.5000000 -0.0000000), wk = 0.0023641 k( 111) = ( 0.4909091 0.5000000 -0.0000000), wk = 0.0023641 k( 112) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023641 k( 113) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023641 k( 114) = ( 0.4935897 0.4935897 -0.0000000), wk = 0.0023641 k( 115) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0023641 k( 116) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0023641 k( 117) = ( 0.4743590 0.4743590 -0.0000000), wk = 0.0023641 k( 118) = ( 0.4679487 0.4679487 -0.0000000), wk = 0.0023641 k( 119) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0023641 k( 120) = ( 0.4551282 0.4551282 -0.0000000), wk = 0.0023641 k( 121) = ( 0.4487179 0.4487179 -0.0000000), wk = 0.0023641 k( 122) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0023641 k( 123) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0023641 k( 124) = ( 0.4294872 0.4294872 -0.0000000), wk = 0.0023641 k( 125) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0023641 k( 126) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0023641 k( 127) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0023641 k( 128) = ( 0.4038462 0.4038461 -0.0000000), wk = 0.0023641 k( 129) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0023641 k( 130) = ( 0.3910256 0.3910256 -0.0000000), wk = 0.0023641 k( 131) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0023641 k( 132) = ( 0.3782051 0.3782051 -0.0000000), wk = 0.0023641 k( 133) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0023641 k( 134) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0023641 k( 135) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0023641 k( 136) = ( 0.3525641 0.3525641 -0.0000000), wk = 0.0023641 k( 137) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0023641 k( 138) = ( 0.3397436 0.3397436 -0.0000000), wk = 0.0023641 k( 139) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023641 k( 140) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0023641 k( 141) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0023641 k( 142) = ( 0.3141026 0.3141026 -0.0000000), wk = 0.0023641 k( 143) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0023641 k( 144) = ( 0.3012821 0.3012820 -0.0000000), wk = 0.0023641 k( 145) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0023641 k( 146) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0023641 k( 147) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0023641 k( 148) = ( 0.2756410 0.2756410 -0.0000000), wk = 0.0023641 k( 149) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0023641 k( 150) = ( 0.2628205 0.2628205 -0.0000000), wk = 0.0023641 k( 151) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0023641 k( 152) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0023641 k( 153) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0023641 k( 154) = ( 0.2371795 0.2371795 -0.0000000), wk = 0.0023641 k( 155) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0023641 k( 156) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0023641 k( 157) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0023641 k( 158) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0023641 k( 159) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0023641 k( 160) = ( 0.1987180 0.1987179 -0.0000000), wk = 0.0023641 k( 161) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0023641 k( 162) = ( 0.1858974 0.1858974 -0.0000000), wk = 0.0023641 k( 163) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0023641 k( 164) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0023641 k( 165) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023641 k( 166) = ( 0.1602564 0.1602564 -0.0000000), wk = 0.0023641 k( 167) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0023641 k( 168) = ( 0.1474359 0.1474359 -0.0000000), wk = 0.0023641 k( 169) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0023641 k( 170) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0023641 k( 171) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0023641 k( 172) = ( 0.1217949 0.1217949 -0.0000000), wk = 0.0023641 k( 173) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0023641 k( 174) = ( 0.1089744 0.1089744 -0.0000000), wk = 0.0023641 k( 175) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0023641 k( 176) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0023641 k( 177) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0023641 k( 178) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0023641 k( 179) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0023641 k( 180) = ( 0.0705128 0.0705128 -0.0000000), wk = 0.0023641 k( 181) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0023641 k( 182) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0023641 k( 183) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0023641 k( 184) = ( 0.0448718 0.0448718 -0.0000000), wk = 0.0023641 k( 185) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0023641 k( 186) = ( 0.0320513 0.0320513 -0.0000000), wk = 0.0023641 k( 187) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0023641 k( 188) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0023641 k( 189) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0023641 k( 190) = ( 0.0064103 0.0064103 -0.0000000), wk = 0.0023641 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 193) = ( 0.0052083 0.0052083 0.0052083), wk = 0.0023641 k( 194) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0023641 k( 195) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0023641 k( 196) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0023641 k( 197) = ( 0.0260417 0.0260417 0.0260417), wk = 0.0023641 k( 198) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0023641 k( 199) = ( 0.0364583 0.0364583 0.0364583), wk = 0.0023641 k( 200) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0023641 k( 201) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0023641 k( 202) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0023641 k( 203) = ( 0.0572917 0.0572917 0.0572917), wk = 0.0023641 k( 204) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0023641 k( 205) = ( 0.0677083 0.0677083 0.0677083), wk = 0.0023641 k( 206) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0023641 k( 207) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0023641 k( 208) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0023641 k( 209) = ( 0.0885417 0.0885417 0.0885417), wk = 0.0023641 k( 210) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0023641 k( 211) = ( 0.0989583 0.0989583 0.0989583), wk = 0.0023641 k( 212) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0023641 k( 213) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0023641 k( 214) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0023641 k( 215) = ( 0.1197917 0.1197917 0.1197917), wk = 0.0023641 k( 216) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0023641 k( 217) = ( 0.1302083 0.1302083 0.1302083), wk = 0.0023641 k( 218) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0023641 k( 219) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0023641 k( 220) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0023641 k( 221) = ( 0.1510417 0.1510417 0.1510417), wk = 0.0023641 k( 222) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0023641 k( 223) = ( 0.1614583 0.1614583 0.1614583), wk = 0.0023641 k( 224) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0023641 k( 225) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0023641 k( 226) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0023641 k( 227) = ( 0.1822917 0.1822917 0.1822917), wk = 0.0023641 k( 228) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0023641 k( 229) = ( 0.1927083 0.1927083 0.1927083), wk = 0.0023641 k( 230) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0023641 k( 231) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0023641 k( 232) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0023641 k( 233) = ( 0.2135417 0.2135417 0.2135417), wk = 0.0023641 k( 234) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0023641 k( 235) = ( 0.2239583 0.2239583 0.2239583), wk = 0.0023641 k( 236) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0023641 k( 237) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0023641 k( 238) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0023641 k( 239) = ( 0.2447917 0.2447917 0.2447917), wk = 0.0023641 k( 240) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023641 k( 241) = ( 0.2552083 0.2552083 0.2552083), wk = 0.0023641 k( 242) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0023641 k( 243) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0023641 k( 244) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0023641 k( 245) = ( 0.2760417 0.2760417 0.2760417), wk = 0.0023641 k( 246) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0023641 k( 247) = ( 0.2864583 0.2864583 0.2864583), wk = 0.0023641 k( 248) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0023641 k( 249) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0023641 k( 250) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0023641 k( 251) = ( 0.3072917 0.3072917 0.3072917), wk = 0.0023641 k( 252) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0023641 k( 253) = ( 0.3177083 0.3177083 0.3177083), wk = 0.0023641 k( 254) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0023641 k( 255) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0023641 k( 256) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0023641 k( 257) = ( 0.3385417 0.3385417 0.3385417), wk = 0.0023641 k( 258) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0023641 k( 259) = ( 0.3489583 0.3489583 0.3489583), wk = 0.0023641 k( 260) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0023641 k( 261) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0023641 k( 262) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0023641 k( 263) = ( 0.3697917 0.3697917 0.3697917), wk = 0.0023641 k( 264) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0023641 k( 265) = ( 0.3802083 0.3802083 0.3802083), wk = 0.0023641 k( 266) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0023641 k( 267) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0023641 k( 268) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0023641 k( 269) = ( 0.4010417 0.4010417 0.4010417), wk = 0.0023641 k( 270) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0023641 k( 271) = ( 0.4114583 0.4114583 0.4114583), wk = 0.0023641 k( 272) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0023641 k( 273) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0023641 k( 274) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0023641 k( 275) = ( 0.4322917 0.4322917 0.4322917), wk = 0.0023641 k( 276) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0023641 k( 277) = ( 0.4427083 0.4427083 0.4427083), wk = 0.0023641 k( 278) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0023641 k( 279) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0023641 k( 280) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0023641 k( 281) = ( 0.4635417 0.4635417 0.4635417), wk = 0.0023641 k( 282) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0023641 k( 283) = ( 0.4739583 0.4739583 0.4739583), wk = 0.0023641 k( 284) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0023641 k( 285) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0023641 k( 286) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0023641 k( 287) = ( 0.4947917 0.4947917 0.4947917), wk = 0.0023641 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 k( 290) = ( 0.4935897 0.5000000 0.4935897), wk = 0.0023641 k( 291) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0023641 k( 292) = ( 0.4807692 0.5000000 0.4807692), wk = 0.0023641 k( 293) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0023641 k( 294) = ( 0.4679487 0.5000000 0.4679487), wk = 0.0023641 k( 295) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0023641 k( 296) = ( 0.4551282 0.5000000 0.4551282), wk = 0.0023641 k( 297) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0023641 k( 298) = ( 0.4423077 0.5000000 0.4423077), wk = 0.0023641 k( 299) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0023641 k( 300) = ( 0.4294872 0.5000000 0.4294872), wk = 0.0023641 k( 301) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0023641 k( 302) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0023641 k( 303) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0023641 k( 304) = ( 0.4038462 0.5000000 0.4038461), wk = 0.0023641 k( 305) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0023641 k( 306) = ( 0.3910256 0.5000000 0.3910256), wk = 0.0023641 k( 307) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0023641 k( 308) = ( 0.3782051 0.5000000 0.3782051), wk = 0.0023641 k( 309) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0023641 k( 310) = ( 0.3653846 0.5000000 0.3653846), wk = 0.0023641 k( 311) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0023641 k( 312) = ( 0.3525641 0.5000000 0.3525641), wk = 0.0023641 k( 313) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0023641 k( 314) = ( 0.3397436 0.5000000 0.3397436), wk = 0.0023641 k( 315) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0023641 k( 316) = ( 0.3269231 0.5000000 0.3269231), wk = 0.0023641 k( 317) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0023641 k( 318) = ( 0.3141026 0.5000000 0.3141026), wk = 0.0023641 k( 319) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0023641 k( 320) = ( 0.3012821 0.5000000 0.3012820), wk = 0.0023641 k( 321) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0023641 k( 322) = ( 0.2884615 0.5000000 0.2884615), wk = 0.0023641 k( 323) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0023641 k( 324) = ( 0.2756410 0.5000000 0.2756410), wk = 0.0023641 k( 325) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0023641 k( 326) = ( 0.2628205 0.5000000 0.2628205), wk = 0.0023641 k( 327) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0023641 k( 328) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0023641 k( 329) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0023641 k( 330) = ( 0.2371795 0.5000000 0.2371795), wk = 0.0023641 k( 331) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0023641 k( 332) = ( 0.2243590 0.5000000 0.2243590), wk = 0.0023641 k( 333) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0023641 k( 334) = ( 0.2115385 0.5000000 0.2115385), wk = 0.0023641 k( 335) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0023641 k( 336) = ( 0.1987180 0.5000000 0.1987179), wk = 0.0023641 k( 337) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0023641 k( 338) = ( 0.1858974 0.5000000 0.1858974), wk = 0.0023641 k( 339) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0023641 k( 340) = ( 0.1730769 0.5000000 0.1730769), wk = 0.0023641 k( 341) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0023641 k( 342) = ( 0.1602564 0.5000000 0.1602564), wk = 0.0023641 k( 343) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0023641 k( 344) = ( 0.1474359 0.5000000 0.1474359), wk = 0.0023641 k( 345) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0023641 k( 346) = ( 0.1346154 0.5000000 0.1346154), wk = 0.0023641 k( 347) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0023641 k( 348) = ( 0.1217949 0.5000000 0.1217949), wk = 0.0023641 k( 349) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0023641 k( 350) = ( 0.1089744 0.5000000 0.1089744), wk = 0.0023641 k( 351) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0023641 k( 352) = ( 0.0961538 0.5000000 0.0961538), wk = 0.0023641 k( 353) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0023641 k( 354) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0023641 k( 355) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0023641 k( 356) = ( 0.0705128 0.5000000 0.0705128), wk = 0.0023641 k( 357) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0023641 k( 358) = ( 0.0576923 0.5000000 0.0576923), wk = 0.0023641 k( 359) = ( 0.0512821 0.5000000 0.0512820), wk = 0.0023641 k( 360) = ( 0.0448718 0.5000000 0.0448718), wk = 0.0023641 k( 361) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0023641 k( 362) = ( 0.0320513 0.5000000 0.0320513), wk = 0.0023641 k( 363) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0023641 k( 364) = ( 0.0192308 0.5000000 0.0192308), wk = 0.0023641 k( 365) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0023641 k( 366) = ( 0.0064103 0.5000000 0.0064103), wk = 0.0023641 k( 367) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023641 k( 368) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023641 k( 369) = ( 0.5000000 0.5000000 0.0090909), wk = 0.0023641 k( 370) = ( 0.5000000 0.5000000 0.0181818), wk = 0.0023641 k( 371) = ( 0.5000000 0.5000000 0.0272727), wk = 0.0023641 k( 372) = ( 0.5000000 0.5000000 0.0363636), wk = 0.0023641 k( 373) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0023641 k( 374) = ( 0.5000000 0.5000000 0.0545454), wk = 0.0023641 k( 375) = ( 0.5000000 0.5000000 0.0636364), wk = 0.0023641 k( 376) = ( 0.5000000 0.5000000 0.0727273), wk = 0.0023641 k( 377) = ( 0.5000000 0.5000000 0.0818182), wk = 0.0023641 k( 378) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0023641 k( 379) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023641 k( 380) = ( 0.5000000 0.5000000 0.1090909), wk = 0.0023641 k( 381) = ( 0.5000000 0.5000000 0.1181818), wk = 0.0023641 k( 382) = ( 0.5000000 0.5000000 0.1272727), wk = 0.0023641 k( 383) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0023641 k( 384) = ( 0.5000000 0.5000000 0.1454545), wk = 0.0023641 k( 385) = ( 0.5000000 0.5000000 0.1545454), wk = 0.0023641 k( 386) = ( 0.5000000 0.5000000 0.1636364), wk = 0.0023641 k( 387) = ( 0.5000000 0.5000000 0.1727273), wk = 0.0023641 k( 388) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0023641 k( 389) = ( 0.5000000 0.5000000 0.1909091), wk = 0.0023641 k( 390) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023641 k( 391) = ( 0.5000000 0.5000000 0.2090909), wk = 0.0023641 k( 392) = ( 0.5000000 0.5000000 0.2181818), wk = 0.0023641 k( 393) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0023641 k( 394) = ( 0.5000000 0.5000000 0.2363636), wk = 0.0023641 k( 395) = ( 0.5000000 0.5000000 0.2454545), wk = 0.0023641 k( 396) = ( 0.5000000 0.5000000 0.2545454), wk = 0.0023641 k( 397) = ( 0.5000000 0.5000000 0.2636364), wk = 0.0023641 k( 398) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0023641 k( 399) = ( 0.5000000 0.5000000 0.2818182), wk = 0.0023641 k( 400) = ( 0.5000000 0.5000000 0.2909091), wk = 0.0023641 k( 401) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023641 k( 402) = ( 0.5000000 0.5000000 0.3090909), wk = 0.0023641 k( 403) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0023641 k( 404) = ( 0.5000000 0.5000000 0.3272727), wk = 0.0023641 k( 405) = ( 0.5000000 0.5000000 0.3363636), wk = 0.0023641 k( 406) = ( 0.5000000 0.5000000 0.3454545), wk = 0.0023641 k( 407) = ( 0.5000000 0.5000000 0.3545454), wk = 0.0023641 k( 408) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0023641 k( 409) = ( 0.5000000 0.5000000 0.3727273), wk = 0.0023641 k( 410) = ( 0.5000000 0.5000000 0.3818182), wk = 0.0023641 k( 411) = ( 0.5000000 0.5000000 0.3909091), wk = 0.0023641 k( 412) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023641 k( 413) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0023641 k( 414) = ( 0.5000000 0.5000000 0.4181818), wk = 0.0023641 k( 415) = ( 0.5000000 0.5000000 0.4272727), wk = 0.0023641 k( 416) = ( 0.5000000 0.5000000 0.4363636), wk = 0.0023641 k( 417) = ( 0.5000000 0.5000000 0.4454545), wk = 0.0023641 k( 418) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0023641 k( 419) = ( 0.5000000 0.5000000 0.4636364), wk = 0.0023641 k( 420) = ( 0.5000000 0.5000000 0.4727273), wk = 0.0023641 k( 421) = ( 0.5000000 0.5000000 0.4818182), wk = 0.0023641 k( 422) = ( 0.5000000 0.5000000 0.4909091), wk = 0.0023641 k( 423) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 2) = ( 0.0000000 0.0090909 0.0000000), wk = 0.0023641 k( 3) = ( 0.0000000 0.0181818 0.0000000), wk = 0.0023641 k( 4) = ( 0.0000000 0.0272727 0.0000000), wk = 0.0023641 k( 5) = ( 0.0000000 0.0363636 0.0000000), wk = 0.0023641 k( 6) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0023641 k( 7) = ( 0.0000000 0.0545455 0.0000000), wk = 0.0023641 k( 8) = ( 0.0000000 0.0636364 0.0000000), wk = 0.0023641 k( 9) = ( 0.0000000 0.0727273 0.0000000), wk = 0.0023641 k( 10) = ( 0.0000000 0.0818182 0.0000000), wk = 0.0023641 k( 11) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0023641 k( 12) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0023641 k( 13) = ( 0.0000000 0.1090909 0.0000000), wk = 0.0023641 k( 14) = ( 0.0000000 0.1181818 0.0000000), wk = 0.0023641 k( 15) = ( 0.0000000 0.1272727 0.0000000), wk = 0.0023641 k( 16) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0023641 k( 17) = ( 0.0000000 0.1454545 0.0000000), wk = 0.0023641 k( 18) = ( 0.0000000 0.1545455 0.0000000), wk = 0.0023641 k( 19) = ( 0.0000000 0.1636364 0.0000000), wk = 0.0023641 k( 20) = ( 0.0000000 0.1727273 0.0000000), wk = 0.0023641 k( 21) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0023641 k( 22) = ( 0.0000000 0.1909091 0.0000000), wk = 0.0023641 k( 23) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0023641 k( 24) = ( 0.0000000 0.2090909 0.0000000), wk = 0.0023641 k( 25) = ( 0.0000000 0.2181818 0.0000000), wk = 0.0023641 k( 26) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0023641 k( 27) = ( 0.0000000 0.2363636 0.0000000), wk = 0.0023641 k( 28) = ( 0.0000000 0.2454545 0.0000000), wk = 0.0023641 k( 29) = ( 0.0000000 0.2545455 0.0000000), wk = 0.0023641 k( 30) = ( 0.0000000 0.2636364 0.0000000), wk = 0.0023641 k( 31) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0023641 k( 32) = ( 0.0000000 0.2818182 0.0000000), wk = 0.0023641 k( 33) = ( 0.0000000 0.2909091 0.0000000), wk = 0.0023641 k( 34) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0023641 k( 35) = ( 0.0000000 0.3090909 0.0000000), wk = 0.0023641 k( 36) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0023641 k( 37) = ( 0.0000000 0.3272727 0.0000000), wk = 0.0023641 k( 38) = ( 0.0000000 0.3363636 0.0000000), wk = 0.0023641 k( 39) = ( 0.0000000 0.3454546 0.0000000), wk = 0.0023641 k( 40) = ( 0.0000000 0.3545454 0.0000000), wk = 0.0023641 k( 41) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0023641 k( 42) = ( 0.0000000 0.3727273 0.0000000), wk = 0.0023641 k( 43) = ( 0.0000000 0.3818182 0.0000000), wk = 0.0023641 k( 44) = ( 0.0000000 0.3909091 0.0000000), wk = 0.0023641 k( 45) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0023641 k( 46) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0023641 k( 47) = ( 0.0000000 0.4181818 0.0000000), wk = 0.0023641 k( 48) = ( 0.0000000 0.4272727 0.0000000), wk = 0.0023641 k( 49) = ( 0.0000000 0.4363636 0.0000000), wk = 0.0023641 k( 50) = ( 0.0000000 0.4454546 0.0000000), wk = 0.0023641 k( 51) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0023641 k( 52) = ( 0.0000000 0.4636364 0.0000000), wk = 0.0023641 k( 53) = ( 0.0000000 0.4727273 0.0000000), wk = 0.0023641 k( 54) = ( 0.0000000 0.4818182 0.0000000), wk = 0.0023641 k( 55) = ( 0.0000000 0.4909091 0.0000000), wk = 0.0023641 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023641 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023641 k( 58) = ( 0.0090909 0.5000000 0.0000000), wk = 0.0023641 k( 59) = ( 0.0181818 0.5000000 0.0000000), wk = 0.0023641 k( 60) = ( 0.0272727 0.5000000 0.0000000), wk = 0.0023641 k( 61) = ( 0.0363636 0.5000000 0.0000000), wk = 0.0023641 k( 62) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0023641 k( 63) = ( 0.0545455 0.5000000 0.0000000), wk = 0.0023641 k( 64) = ( 0.0636364 0.5000000 0.0000000), wk = 0.0023641 k( 65) = ( 0.0727273 0.5000000 0.0000000), wk = 0.0023641 k( 66) = ( 0.0818182 0.5000000 0.0000000), wk = 0.0023641 k( 67) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0023641 k( 68) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0023641 k( 69) = ( 0.1090909 0.5000000 0.0000000), wk = 0.0023641 k( 70) = ( 0.1181818 0.5000000 0.0000000), wk = 0.0023641 k( 71) = ( 0.1272727 0.5000000 0.0000000), wk = 0.0023641 k( 72) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0023641 k( 73) = ( 0.1454545 0.5000000 0.0000000), wk = 0.0023641 k( 74) = ( 0.1545455 0.5000000 0.0000000), wk = 0.0023641 k( 75) = ( 0.1636364 0.5000000 0.0000000), wk = 0.0023641 k( 76) = ( 0.1727273 0.5000000 0.0000000), wk = 0.0023641 k( 77) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0023641 k( 78) = ( 0.1909091 0.5000000 0.0000000), wk = 0.0023641 k( 79) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0023641 k( 80) = ( 0.2090909 0.5000000 0.0000000), wk = 0.0023641 k( 81) = ( 0.2181818 0.5000000 0.0000000), wk = 0.0023641 k( 82) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0023641 k( 83) = ( 0.2363636 0.5000000 0.0000000), wk = 0.0023641 k( 84) = ( 0.2454545 0.5000000 0.0000000), wk = 0.0023641 k( 85) = ( 0.2545455 0.5000000 0.0000000), wk = 0.0023641 k( 86) = ( 0.2636364 0.5000000 0.0000000), wk = 0.0023641 k( 87) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0023641 k( 88) = ( 0.2818182 0.5000000 0.0000000), wk = 0.0023641 k( 89) = ( 0.2909091 0.5000000 0.0000000), wk = 0.0023641 k( 90) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0023641 k( 91) = ( 0.3090909 0.5000000 0.0000000), wk = 0.0023641 k( 92) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0023641 k( 93) = ( 0.3272727 0.5000000 0.0000000), wk = 0.0023641 k( 94) = ( 0.3363636 0.5000000 0.0000000), wk = 0.0023641 k( 95) = ( 0.3454546 0.5000000 0.0000000), wk = 0.0023641 k( 96) = ( 0.3545454 0.5000000 0.0000000), wk = 0.0023641 k( 97) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0023641 k( 98) = ( 0.3727273 0.5000000 0.0000000), wk = 0.0023641 k( 99) = ( 0.3818182 0.5000000 0.0000000), wk = 0.0023641 k( 100) = ( 0.3909091 0.5000000 0.0000000), wk = 0.0023641 k( 101) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023641 k( 102) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0023641 k( 103) = ( 0.4181818 0.5000000 0.0000000), wk = 0.0023641 k( 104) = ( 0.4272727 0.5000000 0.0000000), wk = 0.0023641 k( 105) = ( 0.4363636 0.5000000 0.0000000), wk = 0.0023641 k( 106) = ( 0.4454546 0.5000000 0.0000000), wk = 0.0023641 k( 107) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0023641 k( 108) = ( 0.4636364 0.5000000 0.0000000), wk = 0.0023641 k( 109) = ( 0.4727273 0.5000000 0.0000000), wk = 0.0023641 k( 110) = ( 0.4818182 0.5000000 -0.0000000), wk = 0.0023641 k( 111) = ( 0.4909091 0.5000000 0.0000000), wk = 0.0023641 k( 112) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023641 k( 113) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023641 k( 114) = ( 0.4935897 0.4935897 0.0000000), wk = 0.0023641 k( 115) = ( 0.4871795 0.4871795 0.0000000), wk = 0.0023641 k( 116) = ( 0.4807692 0.4807692 0.0000000), wk = 0.0023641 k( 117) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0023641 k( 118) = ( 0.4679487 0.4679487 0.0000000), wk = 0.0023641 k( 119) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0023641 k( 120) = ( 0.4551282 0.4551282 0.0000000), wk = 0.0023641 k( 121) = ( 0.4487179 0.4487179 0.0000000), wk = 0.0023641 k( 122) = ( 0.4423077 0.4423077 0.0000000), wk = 0.0023641 k( 123) = ( 0.4358974 0.4358974 0.0000000), wk = 0.0023641 k( 124) = ( 0.4294872 0.4294872 0.0000000), wk = 0.0023641 k( 125) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0023641 k( 126) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0023641 k( 127) = ( 0.4102564 0.4102564 0.0000000), wk = 0.0023641 k( 128) = ( 0.4038462 0.4038462 0.0000000), wk = 0.0023641 k( 129) = ( 0.3974359 0.3974359 0.0000000), wk = 0.0023641 k( 130) = ( 0.3910256 0.3910256 0.0000000), wk = 0.0023641 k( 131) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0023641 k( 132) = ( 0.3782051 0.3782051 0.0000000), wk = 0.0023641 k( 133) = ( 0.3717949 0.3717949 0.0000000), wk = 0.0023641 k( 134) = ( 0.3653846 0.3653846 0.0000000), wk = 0.0023641 k( 135) = ( 0.3589744 0.3589744 0.0000000), wk = 0.0023641 k( 136) = ( 0.3525641 0.3525641 0.0000000), wk = 0.0023641 k( 137) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0023641 k( 138) = ( 0.3397436 0.3397436 0.0000000), wk = 0.0023641 k( 139) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023641 k( 140) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0023641 k( 141) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0023641 k( 142) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0023641 k( 143) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0023641 k( 144) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0023641 k( 145) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0023641 k( 146) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0023641 k( 147) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0023641 k( 148) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0023641 k( 149) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0023641 k( 150) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0023641 k( 151) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0023641 k( 152) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0023641 k( 153) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0023641 k( 154) = ( 0.2371795 0.2371795 0.0000000), wk = 0.0023641 k( 155) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0023641 k( 156) = ( 0.2243590 0.2243590 0.0000000), wk = 0.0023641 k( 157) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0023641 k( 158) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0023641 k( 159) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0023641 k( 160) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0023641 k( 161) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0023641 k( 162) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0023641 k( 163) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0023641 k( 164) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0023641 k( 165) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0023641 k( 166) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0023641 k( 167) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0023641 k( 168) = ( 0.1474359 0.1474359 0.0000000), wk = 0.0023641 k( 169) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0023641 k( 170) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0023641 k( 171) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0023641 k( 172) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0023641 k( 173) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0023641 k( 174) = ( 0.1089744 0.1089744 0.0000000), wk = 0.0023641 k( 175) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0023641 k( 176) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0023641 k( 177) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0023641 k( 178) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0023641 k( 179) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0023641 k( 180) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0023641 k( 181) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0023641 k( 182) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0023641 k( 183) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0023641 k( 184) = ( 0.0448718 0.0448718 0.0000000), wk = 0.0023641 k( 185) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0023641 k( 186) = ( 0.0320513 0.0320513 0.0000000), wk = 0.0023641 k( 187) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0023641 k( 188) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0023641 k( 189) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0023641 k( 190) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0023641 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 193) = ( 0.0052083 0.0052083 0.0052083), wk = 0.0023641 k( 194) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0023641 k( 195) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0023641 k( 196) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0023641 k( 197) = ( 0.0260417 0.0260417 0.0260417), wk = 0.0023641 k( 198) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0023641 k( 199) = ( 0.0364583 0.0364583 0.0364583), wk = 0.0023641 k( 200) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0023641 k( 201) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0023641 k( 202) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0023641 k( 203) = ( 0.0572917 0.0572917 0.0572917), wk = 0.0023641 k( 204) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0023641 k( 205) = ( 0.0677083 0.0677083 0.0677083), wk = 0.0023641 k( 206) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0023641 k( 207) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0023641 k( 208) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0023641 k( 209) = ( 0.0885417 0.0885417 0.0885417), wk = 0.0023641 k( 210) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0023641 k( 211) = ( 0.0989583 0.0989583 0.0989583), wk = 0.0023641 k( 212) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0023641 k( 213) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0023641 k( 214) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0023641 k( 215) = ( 0.1197917 0.1197917 0.1197917), wk = 0.0023641 k( 216) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0023641 k( 217) = ( 0.1302083 0.1302083 0.1302083), wk = 0.0023641 k( 218) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0023641 k( 219) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0023641 k( 220) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0023641 k( 221) = ( 0.1510417 0.1510417 0.1510417), wk = 0.0023641 k( 222) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0023641 k( 223) = ( 0.1614583 0.1614583 0.1614583), wk = 0.0023641 k( 224) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0023641 k( 225) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0023641 k( 226) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0023641 k( 227) = ( 0.1822917 0.1822917 0.1822917), wk = 0.0023641 k( 228) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0023641 k( 229) = ( 0.1927083 0.1927083 0.1927083), wk = 0.0023641 k( 230) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0023641 k( 231) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0023641 k( 232) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0023641 k( 233) = ( 0.2135417 0.2135417 0.2135417), wk = 0.0023641 k( 234) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0023641 k( 235) = ( 0.2239583 0.2239583 0.2239583), wk = 0.0023641 k( 236) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0023641 k( 237) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0023641 k( 238) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0023641 k( 239) = ( 0.2447917 0.2447917 0.2447917), wk = 0.0023641 k( 240) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023641 k( 241) = ( 0.2552083 0.2552083 0.2552083), wk = 0.0023641 k( 242) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0023641 k( 243) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0023641 k( 244) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0023641 k( 245) = ( 0.2760417 0.2760417 0.2760417), wk = 0.0023641 k( 246) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0023641 k( 247) = ( 0.2864583 0.2864583 0.2864583), wk = 0.0023641 k( 248) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0023641 k( 249) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0023641 k( 250) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0023641 k( 251) = ( 0.3072917 0.3072917 0.3072917), wk = 0.0023641 k( 252) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0023641 k( 253) = ( 0.3177083 0.3177083 0.3177083), wk = 0.0023641 k( 254) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0023641 k( 255) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0023641 k( 256) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0023641 k( 257) = ( 0.3385417 0.3385417 0.3385417), wk = 0.0023641 k( 258) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0023641 k( 259) = ( 0.3489583 0.3489583 0.3489583), wk = 0.0023641 k( 260) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0023641 k( 261) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0023641 k( 262) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0023641 k( 263) = ( 0.3697917 0.3697917 0.3697917), wk = 0.0023641 k( 264) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0023641 k( 265) = ( 0.3802083 0.3802083 0.3802083), wk = 0.0023641 k( 266) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0023641 k( 267) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0023641 k( 268) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0023641 k( 269) = ( 0.4010417 0.4010417 0.4010417), wk = 0.0023641 k( 270) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0023641 k( 271) = ( 0.4114583 0.4114583 0.4114583), wk = 0.0023641 k( 272) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0023641 k( 273) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0023641 k( 274) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0023641 k( 275) = ( 0.4322917 0.4322917 0.4322917), wk = 0.0023641 k( 276) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0023641 k( 277) = ( 0.4427083 0.4427083 0.4427083), wk = 0.0023641 k( 278) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0023641 k( 279) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0023641 k( 280) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0023641 k( 281) = ( 0.4635417 0.4635417 0.4635417), wk = 0.0023641 k( 282) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0023641 k( 283) = ( 0.4739583 0.4739583 0.4739583), wk = 0.0023641 k( 284) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0023641 k( 285) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0023641 k( 286) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0023641 k( 287) = ( 0.4947917 0.4947917 0.4947917), wk = 0.0023641 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 k( 290) = ( 0.4935897 0.5000000 0.4935897), wk = 0.0023641 k( 291) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0023641 k( 292) = ( 0.4807692 0.5000000 0.4807692), wk = 0.0023641 k( 293) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0023641 k( 294) = ( 0.4679487 0.5000000 0.4679487), wk = 0.0023641 k( 295) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0023641 k( 296) = ( 0.4551282 0.5000000 0.4551282), wk = 0.0023641 k( 297) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0023641 k( 298) = ( 0.4423077 0.5000000 0.4423077), wk = 0.0023641 k( 299) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0023641 k( 300) = ( 0.4294872 0.5000000 0.4294872), wk = 0.0023641 k( 301) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0023641 k( 302) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0023641 k( 303) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0023641 k( 304) = ( 0.4038462 0.5000000 0.4038462), wk = 0.0023641 k( 305) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0023641 k( 306) = ( 0.3910256 0.5000000 0.3910256), wk = 0.0023641 k( 307) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0023641 k( 308) = ( 0.3782051 0.5000000 0.3782051), wk = 0.0023641 k( 309) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0023641 k( 310) = ( 0.3653846 0.5000000 0.3653846), wk = 0.0023641 k( 311) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0023641 k( 312) = ( 0.3525641 0.5000000 0.3525641), wk = 0.0023641 k( 313) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0023641 k( 314) = ( 0.3397436 0.5000000 0.3397436), wk = 0.0023641 k( 315) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0023641 k( 316) = ( 0.3269231 0.5000000 0.3269231), wk = 0.0023641 k( 317) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0023641 k( 318) = ( 0.3141026 0.5000000 0.3141026), wk = 0.0023641 k( 319) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0023641 k( 320) = ( 0.3012821 0.5000000 0.3012821), wk = 0.0023641 k( 321) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0023641 k( 322) = ( 0.2884615 0.5000000 0.2884615), wk = 0.0023641 k( 323) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0023641 k( 324) = ( 0.2756410 0.5000000 0.2756410), wk = 0.0023641 k( 325) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0023641 k( 326) = ( 0.2628205 0.5000000 0.2628205), wk = 0.0023641 k( 327) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0023641 k( 328) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0023641 k( 329) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0023641 k( 330) = ( 0.2371795 0.5000000 0.2371795), wk = 0.0023641 k( 331) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0023641 k( 332) = ( 0.2243590 0.5000000 0.2243590), wk = 0.0023641 k( 333) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0023641 k( 334) = ( 0.2115385 0.5000000 0.2115385), wk = 0.0023641 k( 335) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0023641 k( 336) = ( 0.1987180 0.5000000 0.1987180), wk = 0.0023641 k( 337) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0023641 k( 338) = ( 0.1858974 0.5000000 0.1858974), wk = 0.0023641 k( 339) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0023641 k( 340) = ( 0.1730769 0.5000000 0.1730769), wk = 0.0023641 k( 341) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0023641 k( 342) = ( 0.1602564 0.5000000 0.1602564), wk = 0.0023641 k( 343) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0023641 k( 344) = ( 0.1474359 0.5000000 0.1474359), wk = 0.0023641 k( 345) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0023641 k( 346) = ( 0.1346154 0.5000000 0.1346154), wk = 0.0023641 k( 347) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0023641 k( 348) = ( 0.1217949 0.5000000 0.1217949), wk = 0.0023641 k( 349) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0023641 k( 350) = ( 0.1089744 0.5000000 0.1089744), wk = 0.0023641 k( 351) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0023641 k( 352) = ( 0.0961538 0.5000000 0.0961538), wk = 0.0023641 k( 353) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0023641 k( 354) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0023641 k( 355) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0023641 k( 356) = ( 0.0705128 0.5000000 0.0705128), wk = 0.0023641 k( 357) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0023641 k( 358) = ( 0.0576923 0.5000000 0.0576923), wk = 0.0023641 k( 359) = ( 0.0512821 0.5000000 0.0512821), wk = 0.0023641 k( 360) = ( 0.0448718 0.5000000 0.0448718), wk = 0.0023641 k( 361) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0023641 k( 362) = ( 0.0320513 0.5000000 0.0320513), wk = 0.0023641 k( 363) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0023641 k( 364) = ( 0.0192308 0.5000000 0.0192308), wk = 0.0023641 k( 365) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0023641 k( 366) = ( 0.0064103 0.5000000 0.0064103), wk = 0.0023641 k( 367) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023641 k( 368) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023641 k( 369) = ( 0.5000000 0.5000000 0.0090909), wk = 0.0023641 k( 370) = ( 0.5000000 0.5000000 0.0181818), wk = 0.0023641 k( 371) = ( 0.5000000 0.5000000 0.0272727), wk = 0.0023641 k( 372) = ( 0.5000000 0.5000000 0.0363636), wk = 0.0023641 k( 373) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0023641 k( 374) = ( 0.5000000 0.5000000 0.0545455), wk = 0.0023641 k( 375) = ( 0.5000000 0.5000000 0.0636364), wk = 0.0023641 k( 376) = ( 0.5000000 0.5000000 0.0727273), wk = 0.0023641 k( 377) = ( 0.5000000 0.5000000 0.0818182), wk = 0.0023641 k( 378) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0023641 k( 379) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023641 k( 380) = ( 0.5000000 0.5000000 0.1090909), wk = 0.0023641 k( 381) = ( 0.5000000 0.5000000 0.1181818), wk = 0.0023641 k( 382) = ( 0.5000000 0.5000000 0.1272727), wk = 0.0023641 k( 383) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0023641 k( 384) = ( 0.5000000 0.5000000 0.1454545), wk = 0.0023641 k( 385) = ( 0.5000000 0.5000000 0.1545455), wk = 0.0023641 k( 386) = ( 0.5000000 0.5000000 0.1636364), wk = 0.0023641 k( 387) = ( 0.5000000 0.5000000 0.1727273), wk = 0.0023641 k( 388) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0023641 k( 389) = ( 0.5000000 0.5000000 0.1909091), wk = 0.0023641 k( 390) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023641 k( 391) = ( 0.5000000 0.5000000 0.2090909), wk = 0.0023641 k( 392) = ( 0.5000000 0.5000000 0.2181818), wk = 0.0023641 k( 393) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0023641 k( 394) = ( 0.5000000 0.5000000 0.2363636), wk = 0.0023641 k( 395) = ( 0.5000000 0.5000000 0.2454545), wk = 0.0023641 k( 396) = ( 0.5000000 0.5000000 0.2545455), wk = 0.0023641 k( 397) = ( 0.5000000 0.5000000 0.2636364), wk = 0.0023641 k( 398) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0023641 k( 399) = ( 0.5000000 0.5000000 0.2818182), wk = 0.0023641 k( 400) = ( 0.5000000 0.5000000 0.2909091), wk = 0.0023641 k( 401) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023641 k( 402) = ( 0.5000000 0.5000000 0.3090909), wk = 0.0023641 k( 403) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0023641 k( 404) = ( 0.5000000 0.5000000 0.3272727), wk = 0.0023641 k( 405) = ( 0.5000000 0.5000000 0.3363636), wk = 0.0023641 k( 406) = ( 0.5000000 0.5000000 0.3454546), wk = 0.0023641 k( 407) = ( 0.5000000 0.5000000 0.3545454), wk = 0.0023641 k( 408) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0023641 k( 409) = ( 0.5000000 0.5000000 0.3727273), wk = 0.0023641 k( 410) = ( 0.5000000 0.5000000 0.3818182), wk = 0.0023641 k( 411) = ( 0.5000000 0.5000000 0.3909091), wk = 0.0023641 k( 412) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023641 k( 413) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0023641 k( 414) = ( 0.5000000 0.5000000 0.4181818), wk = 0.0023641 k( 415) = ( 0.5000000 0.5000000 0.4272727), wk = 0.0023641 k( 416) = ( 0.5000000 0.5000000 0.4363636), wk = 0.0023641 k( 417) = ( 0.5000000 0.5000000 0.4454546), wk = 0.0023641 k( 418) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0023641 k( 419) = ( 0.5000000 0.5000000 0.4636364), wk = 0.0023641 k( 420) = ( 0.5000000 0.5000000 0.4727273), wk = 0.0023641 k( 421) = ( 0.5000000 0.5000000 0.4818182), wk = 0.0023641 k( 422) = ( 0.5000000 0.5000000 0.4909091), wk = 0.0023641 k( 423) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 Dense grid: 15515 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 11753 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 88, 24) NL pseudopotentials 0.03 Mb ( 44, 48) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 433) G-vector shells 0.00 Mb ( 116) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 88, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 48, 2, 24) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NaCl.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.9 secs Computing kpt #: 12 total cpu time spent up to now is 4.0 secs Computing kpt #: 13 total cpu time spent up to now is 4.2 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.6 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.8 secs Computing kpt #: 18 total cpu time spent up to now is 5.0 secs Computing kpt #: 19 total cpu time spent up to now is 5.1 secs Computing kpt #: 20 total cpu time spent up to now is 5.4 secs Computing kpt #: 21 total cpu time spent up to now is 5.5 secs Computing kpt #: 22 total cpu time spent up to now is 5.7 secs Computing kpt #: 23 total cpu time spent up to now is 5.8 secs Computing kpt #: 24 total cpu time spent up to now is 5.9 secs Computing kpt #: 25 total cpu time spent up to now is 6.0 secs Computing kpt #: 26 total cpu time spent up to now is 6.2 secs Computing kpt #: 27 total cpu time spent up to now is 6.3 secs Computing kpt #: 28 total cpu time spent up to now is 6.4 secs Computing kpt #: 29 total cpu time spent up to now is 6.6 secs Computing kpt #: 30 total cpu time spent up to now is 6.7 secs Computing kpt #: 31 total cpu time spent up to now is 6.8 secs Computing kpt #: 32 total cpu time spent up to now is 6.9 secs Computing kpt #: 33 total cpu time spent up to now is 6.9 secs Computing kpt #: 34 total cpu time spent up to now is 7.1 secs Computing kpt #: 35 total cpu time spent up to now is 7.1 secs Computing kpt #: 36 total cpu time spent up to now is 7.2 secs Computing kpt #: 37 total cpu time spent up to now is 7.3 secs Computing kpt #: 38 total cpu time spent up to now is 7.5 secs Computing kpt #: 39 total cpu time spent up to now is 7.6 secs Computing kpt #: 40 total cpu time spent up to now is 7.7 secs Computing kpt #: 41 total cpu time spent up to now is 7.8 secs Computing kpt #: 42 total cpu time spent up to now is 7.8 secs Computing kpt #: 43 total cpu time spent up to now is 7.9 secs Computing kpt #: 44 total cpu time spent up to now is 8.0 secs Computing kpt #: 45 total cpu time spent up to now is 8.1 secs Computing kpt #: 46 total cpu time spent up to now is 8.2 secs Computing kpt #: 47 total cpu time spent up to now is 8.2 secs Computing kpt #: 48 total cpu time spent up to now is 8.3 secs Computing kpt #: 49 total cpu time spent up to now is 8.4 secs Computing kpt #: 50 total cpu time spent up to now is 8.5 secs Computing kpt #: 51 total cpu time spent up to now is 8.5 secs Computing kpt #: 52 total cpu time spent up to now is 8.6 secs Computing kpt #: 53 total cpu time spent up to now is 8.7 secs Computing kpt #: 54 total cpu time spent up to now is 8.8 secs Computing kpt #: 55 total cpu time spent up to now is 8.8 secs Computing kpt #: 56 total cpu time spent up to now is 8.9 secs Computing kpt #: 57 total cpu time spent up to now is 9.0 secs Computing kpt #: 58 total cpu time spent up to now is 9.1 secs Computing kpt #: 59 total cpu time spent up to now is 9.2 secs Computing kpt #: 60 total cpu time spent up to now is 9.2 secs Computing kpt #: 61 total cpu time spent up to now is 9.3 secs Computing kpt #: 62 total cpu time spent up to now is 9.4 secs Computing kpt #: 63 total cpu time spent up to now is 9.5 secs Computing kpt #: 64 total cpu time spent up to now is 9.6 secs Computing kpt #: 65 total cpu time spent up to now is 9.7 secs Computing kpt #: 66 total cpu time spent up to now is 9.8 secs Computing kpt #: 67 total cpu time spent up to now is 9.9 secs Computing kpt #: 68 total cpu time spent up to now is 9.9 secs Computing kpt #: 69 total cpu time spent up to now is 10.0 secs Computing kpt #: 70 total cpu time spent up to now is 10.1 secs Computing kpt #: 71 total cpu time spent up to now is 10.2 secs Computing kpt #: 72 total cpu time spent up to now is 10.3 secs Computing kpt #: 73 total cpu time spent up to now is 10.3 secs Computing kpt #: 74 total cpu time spent up to now is 10.4 secs Computing kpt #: 75 total cpu time spent up to now is 10.5 secs Computing kpt #: 76 total cpu time spent up to now is 10.6 secs Computing kpt #: 77 total cpu time spent up to now is 10.6 secs Computing kpt #: 78 total cpu time spent up to now is 10.7 secs Computing kpt #: 79 total cpu time spent up to now is 10.8 secs Computing kpt #: 80 total cpu time spent up to now is 10.9 secs Computing kpt #: 81 total cpu time spent up to now is 11.0 secs Computing kpt #: 82 total cpu time spent up to now is 11.1 secs Computing kpt #: 83 total cpu time spent up to now is 11.1 secs Computing kpt #: 84 total cpu time spent up to now is 11.2 secs Computing kpt #: 85 total cpu time spent up to now is 11.3 secs Computing kpt #: 86 total cpu time spent up to now is 11.4 secs Computing kpt #: 87 total cpu time spent up to now is 11.5 secs Computing kpt #: 88 total cpu time spent up to now is 11.6 secs Computing kpt #: 89 total cpu time spent up to now is 11.7 secs Computing kpt #: 90 total cpu time spent up to now is 11.8 secs Computing kpt #: 91 total cpu time spent up to now is 11.9 secs Computing kpt #: 92 total cpu time spent up to now is 12.0 secs Computing kpt #: 93 total cpu time spent up to now is 12.1 secs Computing kpt #: 94 total cpu time spent up to now is 12.2 secs Computing kpt #: 95 total cpu time spent up to now is 12.3 secs Computing kpt #: 96 total cpu time spent up to now is 12.3 secs Computing kpt #: 97 total cpu time spent up to now is 12.4 secs Computing kpt #: 98 total cpu time spent up to now is 12.5 secs Computing kpt #: 99 total cpu time spent up to now is 12.6 secs Computing kpt #: 100 total cpu time spent up to now is 12.7 secs Computing kpt #: 101 total cpu time spent up to now is 12.8 secs Computing kpt #: 102 total cpu time spent up to now is 12.8 secs Computing kpt #: 103 total cpu time spent up to now is 12.9 secs Computing kpt #: 104 total cpu time spent up to now is 13.0 secs Computing kpt #: 105 total cpu time spent up to now is 13.1 secs Computing kpt #: 106 total cpu time spent up to now is 13.2 secs Computing kpt #: 107 total cpu time spent up to now is 13.2 secs Computing kpt #: 108 total cpu time spent up to now is 13.3 secs Computing kpt #: 109 total cpu time spent up to now is 13.4 secs Computing kpt #: 110 total cpu time spent up to now is 13.5 secs Computing kpt #: 111 total cpu time spent up to now is 13.5 secs Computing kpt #: 112 total cpu time spent up to now is 13.6 secs Computing kpt #: 113 total cpu time spent up to now is 13.7 secs Computing kpt #: 114 total cpu time spent up to now is 13.8 secs Computing kpt #: 115 total cpu time spent up to now is 13.9 secs Computing kpt #: 116 total cpu time spent up to now is 13.9 secs Computing kpt #: 117 total cpu time spent up to now is 14.0 secs Computing kpt #: 118 total cpu time spent up to now is 14.1 secs Computing kpt #: 119 total cpu time spent up to now is 14.2 secs Computing kpt #: 120 total cpu time spent up to now is 14.2 secs Computing kpt #: 121 total cpu time spent up to now is 14.3 secs Computing kpt #: 122 total cpu time spent up to now is 14.4 secs Computing kpt #: 123 total cpu time spent up to now is 14.5 secs Computing kpt #: 124 total cpu time spent up to now is 14.6 secs Computing kpt #: 125 total cpu time spent up to now is 14.7 secs Computing kpt #: 126 total cpu time spent up to now is 14.7 secs Computing kpt #: 127 total cpu time spent up to now is 14.8 secs Computing kpt #: 128 total cpu time spent up to now is 14.9 secs Computing kpt #: 129 total cpu time spent up to now is 15.0 secs Computing kpt #: 130 total cpu time spent up to now is 15.1 secs Computing kpt #: 131 total cpu time spent up to now is 15.2 secs Computing kpt #: 132 total cpu time spent up to now is 15.2 secs Computing kpt #: 133 total cpu time spent up to now is 15.3 secs Computing kpt #: 134 total cpu time spent up to now is 15.4 secs Computing kpt #: 135 total cpu time spent up to now is 15.5 secs Computing kpt #: 136 total cpu time spent up to now is 15.6 secs Computing kpt #: 137 total cpu time spent up to now is 15.7 secs Computing kpt #: 138 total cpu time spent up to now is 15.8 secs Computing kpt #: 139 total cpu time spent up to now is 15.9 secs Computing kpt #: 140 total cpu time spent up to now is 16.0 secs Computing kpt #: 141 total cpu time spent up to now is 16.0 secs Computing kpt #: 142 total cpu time spent up to now is 16.1 secs Computing kpt #: 143 total cpu time spent up to now is 16.2 secs Computing kpt #: 144 total cpu time spent up to now is 16.3 secs Computing kpt #: 145 total cpu time spent up to now is 16.4 secs Computing kpt #: 146 total cpu time spent up to now is 16.5 secs Computing kpt #: 147 total cpu time spent up to now is 16.6 secs Computing kpt #: 148 total cpu time spent up to now is 16.7 secs Computing kpt #: 149 total cpu time spent up to now is 16.9 secs Computing kpt #: 150 total cpu time spent up to now is 17.0 secs Computing kpt #: 151 total cpu time spent up to now is 17.1 secs Computing kpt #: 152 total cpu time spent up to now is 17.1 secs Computing kpt #: 153 total cpu time spent up to now is 17.2 secs Computing kpt #: 154 total cpu time spent up to now is 17.3 secs Computing kpt #: 155 total cpu time spent up to now is 17.4 secs Computing kpt #: 156 total cpu time spent up to now is 17.5 secs Computing kpt #: 157 total cpu time spent up to now is 17.5 secs Computing kpt #: 158 total cpu time spent up to now is 17.6 secs Computing kpt #: 159 total cpu time spent up to now is 17.7 secs Computing kpt #: 160 total cpu time spent up to now is 17.8 secs Computing kpt #: 161 total cpu time spent up to now is 17.9 secs Computing kpt #: 162 total cpu time spent up to now is 17.9 secs Computing kpt #: 163 total cpu time spent up to now is 18.0 secs Computing kpt #: 164 total cpu time spent up to now is 18.1 secs Computing kpt #: 165 total cpu time spent up to now is 18.2 secs Computing kpt #: 166 total cpu time spent up to now is 18.2 secs Computing kpt #: 167 total cpu time spent up to now is 18.3 secs Computing kpt #: 168 total cpu time spent up to now is 18.4 secs Computing kpt #: 169 total cpu time spent up to now is 18.5 secs Computing kpt #: 170 total cpu time spent up to now is 18.6 secs Computing kpt #: 171 total cpu time spent up to now is 18.7 secs Computing kpt #: 172 total cpu time spent up to now is 18.7 secs Computing kpt #: 173 total cpu time spent up to now is 18.8 secs Computing kpt #: 174 total cpu time spent up to now is 18.9 secs Computing kpt #: 175 total cpu time spent up to now is 19.0 secs Computing kpt #: 176 total cpu time spent up to now is 19.1 secs Computing kpt #: 177 total cpu time spent up to now is 19.2 secs Computing kpt #: 178 total cpu time spent up to now is 19.3 secs Computing kpt #: 179 total cpu time spent up to now is 19.4 secs Computing kpt #: 180 total cpu time spent up to now is 19.5 secs Computing kpt #: 181 total cpu time spent up to now is 19.6 secs Computing kpt #: 182 total cpu time spent up to now is 19.7 secs Computing kpt #: 183 total cpu time spent up to now is 19.8 secs Computing kpt #: 184 total cpu time spent up to now is 19.9 secs Computing kpt #: 185 total cpu time spent up to now is 20.0 secs Computing kpt #: 186 total cpu time spent up to now is 20.1 secs Computing kpt #: 187 total cpu time spent up to now is 20.3 secs Computing kpt #: 188 total cpu time spent up to now is 20.4 secs Computing kpt #: 189 total cpu time spent up to now is 20.5 secs Computing kpt #: 190 total cpu time spent up to now is 20.7 secs Computing kpt #: 191 total cpu time spent up to now is 20.8 secs Computing kpt #: 192 total cpu time spent up to now is 20.9 secs Computing kpt #: 193 total cpu time spent up to now is 21.0 secs Computing kpt #: 194 total cpu time spent up to now is 21.1 secs Computing kpt #: 195 total cpu time spent up to now is 21.2 secs Computing kpt #: 196 total cpu time spent up to now is 21.3 secs Computing kpt #: 197 total cpu time spent up to now is 21.5 secs Computing kpt #: 198 total cpu time spent up to now is 21.6 secs Computing kpt #: 199 total cpu time spent up to now is 21.7 secs Computing kpt #: 200 total cpu time spent up to now is 21.8 secs Computing kpt #: 201 total cpu time spent up to now is 21.9 secs Computing kpt #: 202 total cpu time spent up to now is 22.0 secs Computing kpt #: 203 total cpu time spent up to now is 22.1 secs Computing kpt #: 204 total cpu time spent up to now is 22.2 secs Computing kpt #: 205 total cpu time spent up to now is 22.3 secs Computing kpt #: 206 total cpu time spent up to now is 22.4 secs Computing kpt #: 207 total cpu time spent up to now is 22.5 secs Computing kpt #: 208 total cpu time spent up to now is 22.6 secs Computing kpt #: 209 total cpu time spent up to now is 22.7 secs Computing kpt #: 210 total cpu time spent up to now is 22.8 secs Computing kpt #: 211 total cpu time spent up to now is 22.9 secs Computing kpt #: 212 total cpu time spent up to now is 23.0 secs Computing kpt #: 213 total cpu time spent up to now is 23.2 secs Computing kpt #: 214 total cpu time spent up to now is 23.2 secs Computing kpt #: 215 total cpu time spent up to now is 23.4 secs Computing kpt #: 216 total cpu time spent up to now is 23.5 secs Computing kpt #: 217 total cpu time spent up to now is 23.7 secs Computing kpt #: 218 total cpu time spent up to now is 23.8 secs Computing kpt #: 219 total cpu time spent up to now is 24.0 secs Computing kpt #: 220 total cpu time spent up to now is 24.1 secs Computing kpt #: 221 total cpu time spent up to now is 24.3 secs Computing kpt #: 222 total cpu time spent up to now is 24.4 secs Computing kpt #: 223 total cpu time spent up to now is 24.6 secs Computing kpt #: 224 total cpu time spent up to now is 24.8 secs Computing kpt #: 225 total cpu time spent up to now is 24.9 secs Computing kpt #: 226 total cpu time spent up to now is 25.1 secs Computing kpt #: 227 total cpu time spent up to now is 25.2 secs Computing kpt #: 228 total cpu time spent up to now is 25.4 secs Computing kpt #: 229 total cpu time spent up to now is 25.5 secs Computing kpt #: 230 total cpu time spent up to now is 25.6 secs Computing kpt #: 231 total cpu time spent up to now is 25.7 secs Computing kpt #: 232 total cpu time spent up to now is 25.9 secs Computing kpt #: 233 total cpu time spent up to now is 26.0 secs Computing kpt #: 234 total cpu time spent up to now is 26.1 secs Computing kpt #: 235 total cpu time spent up to now is 26.2 secs Computing kpt #: 236 total cpu time spent up to now is 26.3 secs Computing kpt #: 237 total cpu time spent up to now is 26.5 secs Computing kpt #: 238 total cpu time spent up to now is 26.6 secs Computing kpt #: 239 total cpu time spent up to now is 26.7 secs Computing kpt #: 240 total cpu time spent up to now is 26.8 secs Computing kpt #: 241 total cpu time spent up to now is 26.9 secs Computing kpt #: 242 total cpu time spent up to now is 27.0 secs Computing kpt #: 243 total cpu time spent up to now is 27.1 secs Computing kpt #: 244 total cpu time spent up to now is 27.3 secs Computing kpt #: 245 total cpu time spent up to now is 27.4 secs Computing kpt #: 246 total cpu time spent up to now is 27.5 secs Computing kpt #: 247 total cpu time spent up to now is 27.7 secs Computing kpt #: 248 total cpu time spent up to now is 27.8 secs Computing kpt #: 249 total cpu time spent up to now is 28.0 secs Computing kpt #: 250 total cpu time spent up to now is 28.1 secs Computing kpt #: 251 total cpu time spent up to now is 28.3 secs Computing kpt #: 252 total cpu time spent up to now is 28.4 secs Computing kpt #: 253 total cpu time spent up to now is 28.6 secs Computing kpt #: 254 total cpu time spent up to now is 28.7 secs Computing kpt #: 255 total cpu time spent up to now is 28.9 secs Computing kpt #: 256 total cpu time spent up to now is 29.1 secs Computing kpt #: 257 total cpu time spent up to now is 29.2 secs Computing kpt #: 258 total cpu time spent up to now is 29.3 secs Computing kpt #: 259 total cpu time spent up to now is 29.5 secs Computing kpt #: 260 total cpu time spent up to now is 29.6 secs Computing kpt #: 261 total cpu time spent up to now is 29.7 secs Computing kpt #: 262 total cpu time spent up to now is 29.8 secs Computing kpt #: 263 total cpu time spent up to now is 29.9 secs Computing kpt #: 264 total cpu time spent up to now is 30.1 secs Computing kpt #: 265 total cpu time spent up to now is 30.3 secs Computing kpt #: 266 total cpu time spent up to now is 30.4 secs Computing kpt #: 267 total cpu time spent up to now is 30.6 secs Computing kpt #: 268 total cpu time spent up to now is 30.7 secs Computing kpt #: 269 total cpu time spent up to now is 30.8 secs Computing kpt #: 270 total cpu time spent up to now is 30.9 secs Computing kpt #: 271 total cpu time spent up to now is 31.0 secs Computing kpt #: 272 total cpu time spent up to now is 31.1 secs Computing kpt #: 273 total cpu time spent up to now is 31.1 secs Computing kpt #: 274 total cpu time spent up to now is 31.2 secs Computing kpt #: 275 total cpu time spent up to now is 31.3 secs Computing kpt #: 276 total cpu time spent up to now is 31.4 secs Computing kpt #: 277 total cpu time spent up to now is 31.4 secs Computing kpt #: 278 total cpu time spent up to now is 31.5 secs Computing kpt #: 279 total cpu time spent up to now is 31.6 secs Computing kpt #: 280 total cpu time spent up to now is 31.6 secs Computing kpt #: 281 total cpu time spent up to now is 31.7 secs Computing kpt #: 282 total cpu time spent up to now is 31.8 secs Computing kpt #: 283 total cpu time spent up to now is 31.8 secs Computing kpt #: 284 total cpu time spent up to now is 31.9 secs Computing kpt #: 285 total cpu time spent up to now is 32.0 secs Computing kpt #: 286 total cpu time spent up to now is 32.0 secs Computing kpt #: 287 total cpu time spent up to now is 32.1 secs Computing kpt #: 288 total cpu time spent up to now is 32.1 secs Computing kpt #: 289 total cpu time spent up to now is 32.2 secs Computing kpt #: 290 total cpu time spent up to now is 32.2 secs Computing kpt #: 291 total cpu time spent up to now is 32.3 secs Computing kpt #: 292 total cpu time spent up to now is 32.4 secs Computing kpt #: 293 total cpu time spent up to now is 32.4 secs Computing kpt #: 294 total cpu time spent up to now is 32.5 secs Computing kpt #: 295 total cpu time spent up to now is 32.5 secs Computing kpt #: 296 total cpu time spent up to now is 32.6 secs Computing kpt #: 297 total cpu time spent up to now is 32.7 secs Computing kpt #: 298 total cpu time spent up to now is 32.7 secs Computing kpt #: 299 total cpu time spent up to now is 32.8 secs Computing kpt #: 300 total cpu time spent up to now is 32.9 secs Computing kpt #: 301 total cpu time spent up to now is 33.0 secs Computing kpt #: 302 total cpu time spent up to now is 33.0 secs Computing kpt #: 303 total cpu time spent up to now is 33.1 secs Computing kpt #: 304 total cpu time spent up to now is 33.2 secs Computing kpt #: 305 total cpu time spent up to now is 33.3 secs Computing kpt #: 306 total cpu time spent up to now is 33.4 secs Computing kpt #: 307 total cpu time spent up to now is 33.5 secs Computing kpt #: 308 total cpu time spent up to now is 33.6 secs Computing kpt #: 309 total cpu time spent up to now is 33.7 secs Computing kpt #: 310 total cpu time spent up to now is 33.8 secs Computing kpt #: 311 total cpu time spent up to now is 34.0 secs Computing kpt #: 312 total cpu time spent up to now is 34.1 secs Computing kpt #: 313 total cpu time spent up to now is 34.2 secs Computing kpt #: 314 total cpu time spent up to now is 34.3 secs Computing kpt #: 315 total cpu time spent up to now is 34.4 secs Computing kpt #: 316 total cpu time spent up to now is 34.4 secs Computing kpt #: 317 total cpu time spent up to now is 34.5 secs Computing kpt #: 318 total cpu time spent up to now is 34.6 secs Computing kpt #: 319 total cpu time spent up to now is 34.7 secs Computing kpt #: 320 total cpu time spent up to now is 34.8 secs Computing kpt #: 321 total cpu time spent up to now is 34.9 secs Computing kpt #: 322 total cpu time spent up to now is 35.0 secs Computing kpt #: 323 total cpu time spent up to now is 35.1 secs Computing kpt #: 324 total cpu time spent up to now is 35.2 secs Computing kpt #: 325 total cpu time spent up to now is 35.3 secs Computing kpt #: 326 total cpu time spent up to now is 35.3 secs Computing kpt #: 327 total cpu time spent up to now is 35.4 secs Computing kpt #: 328 total cpu time spent up to now is 35.5 secs Computing kpt #: 329 total cpu time spent up to now is 35.6 secs Computing kpt #: 330 total cpu time spent up to now is 35.6 secs Computing kpt #: 331 total cpu time spent up to now is 35.7 secs Computing kpt #: 332 total cpu time spent up to now is 35.8 secs Computing kpt #: 333 total cpu time spent up to now is 35.9 secs Computing kpt #: 334 total cpu time spent up to now is 35.9 secs Computing kpt #: 335 total cpu time spent up to now is 36.0 secs Computing kpt #: 336 total cpu time spent up to now is 36.1 secs Computing kpt #: 337 total cpu time spent up to now is 36.2 secs Computing kpt #: 338 total cpu time spent up to now is 36.2 secs Computing kpt #: 339 total cpu time spent up to now is 36.3 secs Computing kpt #: 340 total cpu time spent up to now is 36.4 secs Computing kpt #: 341 total cpu time spent up to now is 36.5 secs Computing kpt #: 342 total cpu time spent up to now is 36.5 secs Computing kpt #: 343 total cpu time spent up to now is 36.6 secs Computing kpt #: 344 total cpu time spent up to now is 36.7 secs Computing kpt #: 345 total cpu time spent up to now is 36.7 secs Computing kpt #: 346 total cpu time spent up to now is 36.8 secs Computing kpt #: 347 total cpu time spent up to now is 36.9 secs Computing kpt #: 348 total cpu time spent up to now is 37.0 secs Computing kpt #: 349 total cpu time spent up to now is 37.0 secs Computing kpt #: 350 total cpu time spent up to now is 37.1 secs Computing kpt #: 351 total cpu time spent up to now is 37.2 secs Computing kpt #: 352 total cpu time spent up to now is 37.2 secs Computing kpt #: 353 total cpu time spent up to now is 37.3 secs Computing kpt #: 354 total cpu time spent up to now is 37.4 secs Computing kpt #: 355 total cpu time spent up to now is 37.4 secs Computing kpt #: 356 total cpu time spent up to now is 37.5 secs Computing kpt #: 357 total cpu time spent up to now is 37.6 secs Computing kpt #: 358 total cpu time spent up to now is 37.7 secs Computing kpt #: 359 total cpu time spent up to now is 37.7 secs Computing kpt #: 360 total cpu time spent up to now is 37.8 secs Computing kpt #: 361 total cpu time spent up to now is 37.9 secs Computing kpt #: 362 total cpu time spent up to now is 38.0 secs Computing kpt #: 363 total cpu time spent up to now is 38.0 secs Computing kpt #: 364 total cpu time spent up to now is 38.1 secs Computing kpt #: 365 total cpu time spent up to now is 38.2 secs Computing kpt #: 366 total cpu time spent up to now is 38.3 secs Computing kpt #: 367 total cpu time spent up to now is 38.4 secs Computing kpt #: 368 total cpu time spent up to now is 38.4 secs Computing kpt #: 369 total cpu time spent up to now is 38.5 secs Computing kpt #: 370 total cpu time spent up to now is 38.6 secs Computing kpt #: 371 total cpu time spent up to now is 38.7 secs Computing kpt #: 372 total cpu time spent up to now is 38.7 secs Computing kpt #: 373 total cpu time spent up to now is 38.8 secs Computing kpt #: 374 total cpu time spent up to now is 38.9 secs Computing kpt #: 375 total cpu time spent up to now is 39.0 secs Computing kpt #: 376 total cpu time spent up to now is 39.0 secs Computing kpt #: 377 total cpu time spent up to now is 39.1 secs Computing kpt #: 378 total cpu time spent up to now is 39.2 secs Computing kpt #: 379 total cpu time spent up to now is 39.3 secs Computing kpt #: 380 total cpu time spent up to now is 39.3 secs Computing kpt #: 381 total cpu time spent up to now is 39.4 secs Computing kpt #: 382 total cpu time spent up to now is 39.5 secs Computing kpt #: 383 total cpu time spent up to now is 39.5 secs Computing kpt #: 384 total cpu time spent up to now is 39.6 secs Computing kpt #: 385 total cpu time spent up to now is 39.7 secs Computing kpt #: 386 total cpu time spent up to now is 39.8 secs Computing kpt #: 387 total cpu time spent up to now is 39.8 secs Computing kpt #: 388 total cpu time spent up to now is 39.9 secs Computing kpt #: 389 total cpu time spent up to now is 40.0 secs Computing kpt #: 390 total cpu time spent up to now is 40.0 secs Computing kpt #: 391 total cpu time spent up to now is 40.1 secs Computing kpt #: 392 total cpu time spent up to now is 40.2 secs Computing kpt #: 393 total cpu time spent up to now is 40.4 secs Computing kpt #: 394 total cpu time spent up to now is 40.4 secs Computing kpt #: 395 total cpu time spent up to now is 40.5 secs Computing kpt #: 396 total cpu time spent up to now is 40.6 secs Computing kpt #: 397 total cpu time spent up to now is 40.6 secs Computing kpt #: 398 total cpu time spent up to now is 40.7 secs Computing kpt #: 399 total cpu time spent up to now is 40.8 secs Computing kpt #: 400 total cpu time spent up to now is 40.9 secs Computing kpt #: 401 total cpu time spent up to now is 40.9 secs Computing kpt #: 402 total cpu time spent up to now is 41.0 secs Computing kpt #: 403 total cpu time spent up to now is 41.1 secs Computing kpt #: 404 total cpu time spent up to now is 41.2 secs Computing kpt #: 405 total cpu time spent up to now is 41.3 secs Computing kpt #: 406 total cpu time spent up to now is 41.4 secs Computing kpt #: 407 total cpu time spent up to now is 41.5 secs Computing kpt #: 408 total cpu time spent up to now is 41.6 secs Computing kpt #: 409 total cpu time spent up to now is 41.6 secs Computing kpt #: 410 total cpu time spent up to now is 41.7 secs Computing kpt #: 411 total cpu time spent up to now is 41.8 secs Computing kpt #: 412 total cpu time spent up to now is 41.9 secs Computing kpt #: 413 total cpu time spent up to now is 41.9 secs Computing kpt #: 414 total cpu time spent up to now is 42.0 secs Computing kpt #: 415 total cpu time spent up to now is 42.1 secs Computing kpt #: 416 total cpu time spent up to now is 42.1 secs Computing kpt #: 417 total cpu time spent up to now is 42.2 secs Computing kpt #: 418 total cpu time spent up to now is 42.3 secs Computing kpt #: 419 total cpu time spent up to now is 42.3 secs Computing kpt #: 420 total cpu time spent up to now is 42.4 secs Computing kpt #: 421 total cpu time spent up to now is 42.5 secs Computing kpt #: 422 total cpu time spent up to now is 42.5 secs Computing kpt #: 423 total cpu time spent up to now is 42.6 secs ethr = 6.25E-08, avg # of iterations = 17.5 total cpu time spent up to now is 42.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1419 PWs) bands (ev): -40.8260 -40.8260 -12.8268 -12.8268 -12.6491 -12.6491 -12.6491 -12.6491 -6.9120 -6.9120 8.6808 8.6808 8.8251 8.8251 8.8251 8.8251 16.6387 16.6387 16.6387 16.6387 17.4607 17.4607 27.1276 27.1276 k = 0.0000 0.0091-0.0000 ( 1419 PWs) bands (ev): -40.8260 -40.8260 -12.8269 -12.8269 -12.6494 -12.6494 -12.6491 -12.6491 -6.9109 -6.9109 8.6785 8.6785 8.8203 8.8203 8.8255 8.8255 16.6399 16.6399 16.6454 16.6454 17.4648 17.4648 27.1205 27.1206 k = 0.0000 0.0182-0.0000 ( 1419 PWs) bands (ev): -40.8259 -40.8259 -12.8273 -12.8273 -12.6501 -12.6501 -12.6490 -12.6490 -6.9076 -6.9076 8.6704 8.6704 8.8071 8.8071 8.8265 8.8265 16.6438 16.6438 16.6654 16.6654 17.4773 17.4773 27.0993 27.0993 k = 0.0000 0.0273-0.0000 ( 1419 PWs) bands (ev): -40.8258 -40.8258 -12.8278 -12.8278 -12.6513 -12.6513 -12.6488 -12.6488 -6.9021 -6.9021 8.6527 8.6527 8.7897 8.7897 8.8283 8.8283 16.6502 16.6502 16.6977 16.6977 17.4986 17.4986 27.0647 27.0661 k = 0.0000 0.0364-0.0000 ( 1423 PWs) bands (ev): -40.8257 -40.8257 -12.8286 -12.8286 -12.6531 -12.6531 -12.6486 -12.6486 -6.8944 -6.8944 8.6199 8.6199 8.7741 8.7741 8.8308 8.8308 16.6591 16.6591 16.7408 16.7408 17.5298 17.5298 27.0164 27.0164 k = 0.0000 0.0455-0.0000 ( 1434 PWs) bands (ev): -40.8255 -40.8255 -12.8298 -12.8298 -12.6554 -12.6554 -12.6485 -12.6485 -6.8845 -6.8845 8.5688 8.5688 8.7642 8.7642 8.8339 8.8339 16.6706 16.6706 16.7926 16.7926 17.5722 17.5722 26.9561 26.9561 k = 0.0000 0.0545-0.0000 ( 1434 PWs) bands (ev): -40.8253 -40.8253 -12.8311 -12.8311 -12.6579 -12.6579 -12.6482 -12.6482 -6.8725 -6.8725 8.5004 8.5004 8.7599 8.7599 8.8378 8.8378 16.6847 16.6847 16.8506 16.8506 17.6273 17.6273 26.8851 26.8882 k = 0.0000 0.0636-0.0000 ( 1434 PWs) bands (ev): -40.8251 -40.8251 -12.8326 -12.8326 -12.6608 -12.6608 -12.6478 -12.6478 -6.8583 -6.8583 8.4175 8.4175 8.7593 8.7593 8.8423 8.8423 16.7013 16.7013 16.9121 16.9121 17.6971 17.6971 26.8025 26.8025 k = 0.0000 0.0727-0.0000 ( 1442 PWs) bands (ev): -40.8248 -40.8248 -12.8346 -12.8346 -12.6641 -12.6641 -12.6475 -12.6475 -6.8420 -6.8420 8.3223 8.3223 8.7612 8.7612 8.8475 8.8475 16.7204 16.7204 16.9744 16.9744 17.7828 17.7828 26.7113 26.7113 k = 0.0000 0.0818-0.0000 ( 1442 PWs) bands (ev): -40.8245 -40.8245 -12.8368 -12.8368 -12.6676 -12.6676 -12.6471 -12.6471 -6.8237 -6.8237 8.2166 8.2166 8.7648 8.7648 8.8534 8.8534 16.7420 16.7420 17.0355 17.0355 17.8856 17.8856 26.6119 26.6119 k = 0.0000 0.0909-0.0000 ( 1442 PWs) bands (ev): -40.8241 -40.8241 -12.8394 -12.8394 -12.6714 -12.6714 -12.6465 -12.6465 -6.8033 -6.8033 8.1018 8.1018 8.7697 8.7697 8.8599 8.8599 16.7661 16.7661 17.0942 17.0942 18.0054 18.0054 26.5054 26.5054 k = 0.0000 0.1000-0.0000 ( 1434 PWs) bands (ev): -40.8237 -40.8237 -12.8424 -12.8424 -12.6752 -12.6752 -12.6458 -12.6458 -6.7810 -6.7810 7.9792 7.9792 8.7756 8.7756 8.8670 8.8670 16.7927 16.7927 17.1501 17.1501 18.1415 18.1415 26.3928 26.3928 k = 0.0000 0.1091-0.0000 ( 1438 PWs) bands (ev): -40.8233 -40.8233 -12.8459 -12.8459 -12.6792 -12.6792 -12.6452 -12.6452 -6.7568 -6.7568 7.8498 7.8498 8.7825 8.7825 8.8747 8.8747 16.8218 16.8218 17.2035 17.2035 18.2925 18.2925 26.2750 26.2750 k = 0.0000 0.1182-0.0000 ( 1438 PWs) bands (ev): -40.8228 -40.8228 -12.8499 -12.8499 -12.6832 -12.6832 -12.6445 -12.6445 -6.7306 -6.7306 7.7146 7.7146 8.7901 8.7901 8.8830 8.8830 16.8533 16.8533 17.2550 17.2550 18.4569 18.4569 26.1529 26.1529 k = 0.0000 0.1273-0.0000 ( 1438 PWs) bands (ev): -40.8223 -40.8223 -12.8543 -12.8543 -12.6871 -12.6871 -12.6438 -12.6438 -6.7026 -6.7026 7.5746 7.5746 8.7984 8.7984 8.8919 8.8919 16.8873 16.8873 17.3051 17.3051 18.6329 18.6329 26.0274 26.0274 k = 0.0000 0.1364-0.0000 ( 1438 PWs) bands (ev): -40.8218 -40.8218 -12.8593 -12.8593 -12.6909 -12.6909 -12.6430 -12.6430 -6.6729 -6.6729 7.4305 7.4305 8.8073 8.8073 8.9013 8.9013 16.9236 16.9236 17.3546 17.3546 18.8191 18.8191 25.8992 25.8992 k = 0.0000 0.1455-0.0000 ( 1438 PWs) bands (ev): -40.8213 -40.8213 -12.8650 -12.8650 -12.6946 -12.6946 -12.6422 -12.6422 -6.6415 -6.6415 7.2831 7.2831 8.8169 8.8169 8.9112 8.9112 16.9623 16.9623 17.4038 17.4038 19.0138 19.0138 25.7689 25.7690 k = 0.0000 0.1545-0.0000 ( 1438 PWs) bands (ev): -40.8207 -40.8207 -12.8711 -12.8711 -12.6980 -12.6980 -12.6413 -12.6413 -6.6084 -6.6084 7.1331 7.1331 8.8270 8.8270 8.9216 8.9216 17.0034 17.0034 17.4532 17.4532 19.2158 19.2158 25.6373 25.6373 k = 0.0000 0.1636-0.0000 ( 1438 PWs) bands (ev): -40.8201 -40.8201 -12.8779 -12.8779 -12.7012 -12.7012 -12.6404 -12.6404 -6.5738 -6.5738 6.9811 6.9811 8.8376 8.8376 8.9325 8.9325 17.0468 17.0468 17.5032 17.5032 19.4238 19.4238 25.5047 25.5047 k = 0.0000 0.1727-0.0000 ( 1438 PWs) bands (ev): -40.8195 -40.8195 -12.8852 -12.8852 -12.7042 -12.7042 -12.6395 -12.6395 -6.5377 -6.5377 6.8276 6.8276 8.8486 8.8486 8.9438 8.9438 17.0925 17.0925 17.5539 17.5539 19.6368 19.6368 25.3718 25.3718 k = 0.0000 0.1818-0.0000 ( 1438 PWs) bands (ev): -40.8189 -40.8189 -12.8930 -12.8930 -12.7069 -12.7069 -12.6386 -12.6386 -6.5002 -6.5002 6.6732 6.6732 8.8601 8.8601 8.9556 8.9556 17.1404 17.1404 17.6054 17.6054 19.8538 19.8538 25.2390 25.2390 k = 0.0000 0.1909-0.0000 ( 1438 PWs) bands (ev): -40.8182 -40.8182 -12.9013 -12.9013 -12.7092 -12.7092 -12.6376 -12.6376 -6.4614 -6.4614 6.5184 6.5184 8.8720 8.8720 8.9676 8.9676 17.1905 17.1905 17.6580 17.6580 20.0736 20.0736 25.1067 25.1067 k = 0.0000 0.2000-0.0000 ( 1434 PWs) bands (ev): -40.8176 -40.8176 -12.9100 -12.9100 -12.7113 -12.7113 -12.6366 -12.6366 -6.4214 -6.4214 6.3636 6.3636 8.8842 8.8842 8.9801 8.9801 17.2428 17.2428 17.7116 17.7116 20.2954 20.2954 24.9753 24.9754 k = 0.0000 0.2091-0.0000 ( 1438 PWs) bands (ev): -40.8169 -40.8169 -12.9193 -12.9193 -12.7132 -12.7132 -12.6356 -12.6356 -6.3803 -6.3803 6.2092 6.2092 8.8967 8.8967 8.9928 8.9928 17.2971 17.2971 17.7662 17.7662 20.5183 20.5183 24.8451 24.8451 k = 0.0000 0.2182-0.0000 ( 1438 PWs) bands (ev): -40.8162 -40.8162 -12.9289 -12.9289 -12.7147 -12.7147 -12.6346 -12.6346 -6.3381 -6.3381 6.0555 6.0555 8.9095 8.9095 9.0058 9.0058 17.3535 17.3535 17.8219 17.8219 20.7413 20.7413 24.7165 24.7166 k = 0.0000 0.2273-0.0000 ( 1438 PWs) bands (ev): -40.8155 -40.8155 -12.9388 -12.9388 -12.7160 -12.7160 -12.6336 -12.6336 -6.2950 -6.2950 5.9030 5.9030 8.9226 8.9226 9.0190 9.0190 17.4118 17.4118 17.8787 17.8787 20.9634 20.9634 24.5898 24.5898 k = 0.0000 0.2364-0.0000 ( 1438 PWs) bands (ev): -40.8148 -40.8148 -12.9489 -12.9489 -12.7171 -12.7171 -12.6326 -12.6326 -6.2511 -6.2511 5.7519 5.7519 8.9358 8.9358 9.0323 9.0323 17.4720 17.4720 17.9363 17.9363 21.1836 21.1836 24.4651 24.4653 k = 0.0000 0.2455-0.0000 ( 1442 PWs) bands (ev): -40.8141 -40.8141 -12.9592 -12.9592 -12.7181 -12.7181 -12.6316 -12.6316 -6.2065 -6.2065 5.6027 5.6027 8.9492 8.9492 9.0459 9.0459 17.5341 17.5341 17.9949 17.9949 21.4010 21.4010 24.3428 24.3428 k = 0.0000 0.2545-0.0000 ( 1446 PWs) bands (ev): -40.8135 -40.8135 -12.9698 -12.9698 -12.7188 -12.7188 -12.6306 -12.6306 -6.1614 -6.1614 5.4554 5.4554 8.9627 8.9627 9.0595 9.0595 17.5978 17.5978 18.0542 18.0542 21.6146 21.6146 24.2231 24.2231 k = 0.0000 0.2636-0.0000 ( 1446 PWs) bands (ev): -40.8128 -40.8128 -12.9803 -12.9803 -12.7194 -12.7194 -12.6295 -12.6295 -6.1157 -6.1157 5.3106 5.3106 8.9762 8.9762 9.0731 9.0731 17.6632 17.6632 18.1143 18.1143 21.8231 21.8231 24.1061 24.1061 k = 0.0000 0.2727-0.0000 ( 1446 PWs) bands (ev): -40.8121 -40.8121 -12.9908 -12.9908 -12.7198 -12.7198 -12.6285 -12.6285 -6.0698 -6.0698 5.1683 5.1683 8.9898 8.9898 9.0868 9.0868 17.7300 17.7300 18.1749 18.1749 22.0257 22.0257 23.9922 23.9922 k = 0.0000 0.2818-0.0000 ( 1446 PWs) bands (ev): -40.8114 -40.8114 -13.0014 -13.0014 -12.7201 -12.7201 -12.6275 -12.6275 -6.0237 -6.0237 5.0290 5.0290 9.0033 9.0033 9.1005 9.1005 17.7983 17.7983 18.2359 18.2359 22.2210 22.2210 23.8814 23.8814 k = 0.0000 0.2909-0.0000 ( 1438 PWs) bands (ev): -40.8107 -40.8107 -13.0116 -13.0116 -12.7202 -12.7202 -12.6264 -12.6264 -5.9775 -5.9775 4.8928 4.8928 9.0167 9.0167 9.1140 9.1140 17.8678 17.8678 18.2972 18.2972 22.4081 22.4081 23.7739 23.7739 k = 0.0000 0.3000-0.0000 ( 1446 PWs) bands (ev): -40.8100 -40.8100 -13.0222 -13.0222 -12.7204 -12.7204 -12.6255 -12.6255 -5.9315 -5.9315 4.7600 4.7600 9.0300 9.0300 9.1275 9.1275 17.9383 17.9383 18.3586 18.3586 22.5857 22.5857 23.6699 23.6700 k = 0.0000 0.3091-0.0000 ( 1446 PWs) bands (ev): -40.8093 -40.8093 -13.0323 -13.0323 -12.7204 -12.7204 -12.6245 -12.6245 -5.8857 -5.8857 4.6308 4.6308 9.0432 9.0432 9.1408 9.1408 18.0098 18.0098 18.4199 18.4199 22.7530 22.7530 23.5695 23.5695 k = 0.0000 0.3182-0.0000 ( 1450 PWs) bands (ev): -40.8087 -40.8087 -13.0424 -13.0424 -12.7204 -12.7204 -12.6236 -12.6236 -5.8404 -5.8404 4.5055 4.5055 9.0561 9.0561 9.1538 9.1538 18.0820 18.0820 18.4810 18.4810 22.9090 22.9090 23.4730 23.4730 k = 0.0000 0.3273-0.0000 ( 1458 PWs) bands (ev): -40.8081 -40.8081 -13.0523 -13.0523 -12.7203 -12.7203 -12.6227 -12.6227 -5.7956 -5.7956 4.3844 4.3844 9.0688 9.0688 9.1666 9.1666 18.1547 18.1547 18.5415 18.5415 23.0529 23.0529 23.3803 23.3804 k = 0.0000 0.3364-0.0000 ( 1458 PWs) bands (ev): -40.8075 -40.8075 -13.0618 -13.0618 -12.7201 -12.7201 -12.6218 -12.6218 -5.7516 -5.7516 4.2676 4.2676 9.0812 9.0812 9.1790 9.1790 18.2277 18.2277 18.6015 18.6015 23.1839 23.1839 23.2919 23.2919 k = 0.0000 0.3455-0.0000 ( 1458 PWs) bands (ev): -40.8069 -40.8069 -13.0709 -13.0709 -12.7199 -12.7199 -12.6209 -12.6209 -5.7085 -5.7085 4.1553 4.1553 9.0932 9.0932 9.1912 9.1912 18.3006 18.3006 18.6604 18.6604 23.2066 23.2066 23.2181 23.2181 k = 0.0000 0.3545-0.0000 ( 1458 PWs) bands (ev): -40.8063 -40.8063 -13.0797 -13.0797 -12.7196 -12.7196 -12.6200 -12.6200 -5.6666 -5.6666 4.0479 4.0479 9.1048 9.1048 9.2029 9.2029 18.3733 18.3733 18.7183 18.7183 23.1266 23.1266 23.1378 23.1378 k = 0.0000 0.3636-0.0000 ( 1458 PWs) bands (ev): -40.8058 -40.8058 -13.0881 -13.0881 -12.7194 -12.7194 -12.6192 -12.6192 -5.6259 -5.6259 3.9456 3.9456 9.1159 9.1159 9.2141 9.2141 18.4453 18.4453 18.7747 18.7747 23.0507 23.0507 23.0619 23.0619 k = 0.0000 0.3727-0.0000 ( 1454 PWs) bands (ev): -40.8053 -40.8053 -13.0960 -13.0960 -12.7191 -12.7191 -12.6184 -12.6184 -5.5867 -5.5867 3.8485 3.8485 9.1266 9.1266 9.2249 9.2249 18.5163 18.5163 18.8294 18.8294 22.9793 22.9793 22.9904 22.9904 k = 0.0000 0.3818-0.0000 ( 1458 PWs) bands (ev): -40.8048 -40.8048 -13.1036 -13.1036 -12.7188 -12.7188 -12.6177 -12.6177 -5.5492 -5.5492 3.7570 3.7570 9.1367 9.1367 9.2351 9.2351 18.5860 18.5860 18.8821 18.8821 22.9124 22.9124 22.9234 22.9234 k = 0.0000 0.3909-0.0000 ( 1458 PWs) bands (ev): -40.8043 -40.8043 -13.1107 -13.1107 -12.7186 -12.7186 -12.6171 -12.6171 -5.5135 -5.5135 3.6712 3.6712 9.1463 9.1463 9.2447 9.2447 18.6537 18.6537 18.9326 18.9326 22.8501 22.8501 22.8611 22.8611 k = 0.0000 0.4000-0.0000 ( 1458 PWs) bands (ev): -40.8039 -40.8039 -13.1174 -13.1174 -12.7183 -12.7183 -12.6164 -12.6164 -5.4799 -5.4799 3.5913 3.5913 9.1552 9.1552 9.2537 9.2537 18.7192 18.7192 18.9805 18.9805 22.7925 22.7925 22.8035 22.8035 k = 0.0000 0.4091-0.0000 ( 1458 PWs) bands (ev): -40.8035 -40.8035 -13.1235 -13.1235 -12.7180 -12.7180 -12.6158 -12.6158 -5.4484 -5.4484 3.5175 3.5175 9.1635 9.1635 9.2621 9.2621 18.7818 18.7818 19.0256 19.0256 22.7397 22.7397 22.7506 22.7506 k = 0.0000 0.4182-0.0000 ( 1458 PWs) bands (ev): -40.8031 -40.8031 -13.1291 -13.1291 -12.7178 -12.7178 -12.6153 -12.6153 -5.4194 -5.4194 3.4501 3.4501 9.1712 9.1712 9.2698 9.2698 18.8411 18.8411 19.0675 19.0675 22.6917 22.6917 22.7026 22.7026 k = 0.0000 0.4273-0.0000 ( 1458 PWs) bands (ev): -40.8028 -40.8028 -13.1341 -13.1341 -12.7175 -12.7175 -12.6148 -12.6148 -5.3929 -5.3929 3.3893 3.3893 9.1781 9.1781 9.2768 9.2768 18.8964 18.8964 19.1060 19.1060 22.6486 22.6486 22.6595 22.6595 k = 0.0000 0.4364-0.0000 ( 1458 PWs) bands (ev): -40.8025 -40.8025 -13.1386 -13.1386 -12.7173 -12.7173 -12.6144 -12.6144 -5.3691 -5.3691 3.3351 3.3351 9.1843 9.1843 9.2830 9.2830 18.9471 18.9471 19.1407 19.1407 22.6104 22.6104 22.6213 22.6213 k = 0.0000 0.4455-0.0000 ( 1450 PWs) bands (ev): -40.8022 -40.8022 -13.1423 -13.1423 -12.7171 -12.7171 -12.6139 -12.6139 -5.3482 -5.3482 3.2878 3.2878 9.1897 9.1897 9.2885 9.2885 18.9926 18.9926 19.1714 19.1714 22.5773 22.5773 22.5881 22.5881 k = 0.0000 0.4545-0.0000 ( 1454 PWs) bands (ev): -40.8020 -40.8020 -13.1456 -13.1456 -12.7170 -12.7170 -12.6137 -12.6137 -5.3302 -5.3302 3.2476 3.2476 9.1943 9.1943 9.2931 9.2931 19.0323 19.0323 19.1979 19.1979 22.5491 22.5491 22.5599 22.5599 k = 0.0000 0.4636-0.0000 ( 1454 PWs) bands (ev): -40.8018 -40.8018 -13.1484 -13.1484 -12.7168 -12.7168 -12.6134 -12.6134 -5.3154 -5.3154 3.2144 3.2144 9.1981 9.1981 9.2969 9.2969 19.0657 19.0657 19.2199 19.2199 22.5260 22.5260 22.5369 22.5369 k = 0.0000 0.4727-0.0000 ( 1462 PWs) bands (ev): -40.8017 -40.8017 -13.1506 -13.1506 -12.7168 -12.7168 -12.6133 -12.6133 -5.3037 -5.3037 3.1885 3.1885 9.2010 9.2010 9.2999 9.2999 19.0923 19.0923 19.2372 19.2372 22.5080 22.5080 22.5189 22.5189 k = 0.0000 0.4818-0.0000 ( 1462 PWs) bands (ev): -40.8016 -40.8016 -13.1521 -13.1521 -12.7167 -12.7167 -12.6132 -12.6132 -5.2953 -5.2953 3.1700 3.1700 9.2032 9.2032 9.3021 9.3021 19.1116 19.1116 19.2497 19.2497 22.4952 22.4952 22.5060 22.5060 k = 0.0000 0.4909-0.0000 ( 1462 PWs) bands (ev): -40.8016 -40.8016 -13.1531 -13.1531 -12.7167 -12.7167 -12.6131 -12.6131 -5.2903 -5.2903 3.1588 3.1588 9.2045 9.2045 9.3034 9.3034 19.1233 19.1233 19.2572 19.2572 22.4875 22.4875 22.4983 22.4983 k = 0.0000 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.8015 -40.8015 -13.1534 -13.1534 -12.7167 -12.7167 -12.6131 -12.6131 -5.2886 -5.2886 3.1551 3.1551 9.2049 9.2049 9.3038 9.3038 19.1273 19.1273 19.2598 19.2598 22.4849 22.4849 22.4957 22.4957 k = 0.0000 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.8015 -40.8015 -13.1534 -13.1534 -12.7167 -12.7167 -12.6131 -12.6131 -5.2886 -5.2886 3.1551 3.1551 9.2049 9.2049 9.3038 9.3038 19.1273 19.1273 19.2598 19.2598 22.4849 22.4849 22.4957 22.4957 k = 0.0091 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.8015 -40.8015 -13.1532 -13.1532 -12.7168 -12.7168 -12.6132 -12.6132 -5.2881 -5.2881 3.1562 3.1562 9.2023 9.2023 9.3014 9.3014 19.1318 19.1318 19.2641 19.2641 22.4473 22.4473 22.4910 22.4910 k = 0.0182 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.8015 -40.8015 -13.1528 -13.1528 -12.7171 -12.7171 -12.6135 -12.6135 -5.2866 -5.2866 3.1592 3.1592 9.1934 9.1934 9.2952 9.2952 19.1443 19.1443 19.2783 19.2783 22.3330 22.3330 22.4906 22.4906 k = 0.0273 0.5000-0.0000 ( 1456 PWs) bands (ev): -40.8014 -40.8014 -13.1522 -13.1522 -12.7175 -12.7175 -12.6140 -12.6140 -5.2841 -5.2841 3.1644 3.1644 9.1755 9.1755 9.2883 9.2883 19.1613 19.1613 19.3055 19.3055 22.1700 22.1700 22.4908 22.4908 k = 0.0364 0.5000-0.0000 ( 1452 PWs) bands (ev): -40.8012 -40.8012 -13.1512 -13.1512 -12.7182 -12.7182 -12.6147 -12.6147 -5.2806 -5.2806 3.1716 3.1716 9.1456 9.1456 9.2838 9.2838 19.1789 19.1789 19.3492 19.3492 21.9783 21.9783 22.4911 22.4911 k = 0.0455 0.5000-0.0000 ( 1452 PWs) bands (ev): -40.8011 -40.8011 -13.1500 -13.1500 -12.7191 -12.7191 -12.6156 -12.6156 -5.2761 -5.2761 3.1808 3.1808 9.1032 9.1032 9.2828 9.2828 19.1953 19.1953 19.4110 19.4110 21.7704 21.7704 22.4914 22.4914 k = 0.0545 0.5000-0.0000 ( 1456 PWs) bands (ev): -40.8009 -40.8009 -13.1486 -13.1486 -12.7204 -12.7204 -12.6167 -12.6167 -5.2707 -5.2707 3.1920 3.1920 9.0489 9.0489 9.2849 9.2849 19.2105 19.2105 19.4903 19.4903 21.5532 21.5532 22.4919 22.4919 k = 0.0636 0.5000-0.0000 ( 1456 PWs) bands (ev): -40.8006 -40.8006 -13.1469 -13.1469 -12.7218 -12.7218 -12.6180 -12.6180 -5.2643 -5.2643 3.2052 3.2052 8.9842 8.9842 9.2894 9.2894 19.2253 19.2253 19.5855 19.5855 21.3308 21.3308 22.4925 22.4925 k = 0.0727 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.8004 -40.8004 -13.1450 -13.1450 -12.7236 -12.7236 -12.6194 -12.6194 -5.2569 -5.2569 3.2204 3.2204 8.9101 8.9101 9.2959 9.2959 19.2405 19.2405 19.6954 19.6954 21.1058 21.1058 22.4931 22.4931 k = 0.0818 0.5000-0.0000 ( 1456 PWs) bands (ev): -40.8001 -40.8001 -13.1428 -13.1428 -12.7255 -12.7255 -12.6208 -12.6208 -5.2486 -5.2486 3.2375 3.2375 8.8276 8.8276 9.3039 9.3039 19.2564 19.2564 19.8187 19.8187 20.8797 20.8797 22.4939 22.4939 k = 0.0909 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7998 -40.7998 -13.1405 -13.1405 -12.7279 -12.7279 -12.6223 -12.6223 -5.2394 -5.2394 3.2565 3.2565 8.7375 8.7375 9.3132 9.3132 19.2734 19.2734 19.9544 19.9544 20.6536 20.6536 22.4947 22.4947 k = 0.1000 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7994 -40.7994 -13.1379 -13.1379 -12.7305 -12.7305 -12.6238 -12.6238 -5.2292 -5.2292 3.2774 3.2774 8.6408 8.6408 9.3238 9.3238 19.2917 19.2917 20.1015 20.1015 20.4284 20.4284 22.4955 22.4955 k = 0.1091 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7990 -40.7990 -13.1351 -13.1351 -12.7335 -12.7335 -12.6253 -12.6253 -5.2181 -5.2181 3.3002 3.3002 8.5380 8.5380 9.3356 9.3356 19.3112 19.3112 20.2031 20.2031 20.2604 20.2604 22.4965 22.4965 k = 0.1182 0.5000-0.0000 ( 1458 PWs) bands (ev): -40.7986 -40.7986 -13.1321 -13.1321 -12.7367 -12.7367 -12.6267 -12.6267 -5.2062 -5.2062 3.3247 3.3247 8.4301 8.4301 9.3484 9.3484 19.3321 19.3321 19.9816 19.9816 20.4271 20.4271 22.4975 22.4975 k = 0.1273 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7981 -40.7981 -13.1290 -13.1290 -12.7404 -12.7404 -12.6281 -12.6281 -5.1934 -5.1934 3.3509 3.3509 8.3175 8.3175 9.3621 9.3621 19.3544 19.3544 19.7612 19.7612 20.6035 20.6035 22.4986 22.4986 k = 0.1364 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7977 -40.7977 -13.1256 -13.1256 -12.7445 -12.7445 -12.6294 -12.6294 -5.1798 -5.1798 3.3788 3.3788 8.2011 8.2011 9.3769 9.3769 19.3780 19.3780 19.5431 19.5431 20.7881 20.7881 22.4997 22.4997 k = 0.1455 0.5000-0.0000 ( 1464 PWs) bands (ev): -40.7972 -40.7972 -13.1222 -13.1222 -12.7489 -12.7489 -12.6306 -12.6306 -5.1653 -5.1653 3.4084 3.4084 8.0814 8.0814 9.3925 9.3925 19.3272 19.3272 19.4032 19.4032 20.9801 20.9801 22.5009 22.5009 k = 0.1545 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7966 -40.7966 -13.1185 -13.1185 -12.7536 -12.7536 -12.6316 -12.6316 -5.1501 -5.1501 3.4395 3.4395 7.9590 7.9590 9.4089 9.4089 19.1142 19.1142 19.4296 19.4296 21.1787 21.1787 22.5022 22.5022 k = 0.1636 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7961 -40.7961 -13.1147 -13.1147 -12.7587 -12.7587 -12.6326 -12.6326 -5.1342 -5.1342 3.4721 3.4721 7.8344 7.8344 9.4262 9.4262 18.9040 18.9040 19.4573 19.4573 21.3832 21.3832 22.5035 22.5035 k = 0.1727 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7955 -40.7955 -13.1109 -13.1109 -12.7640 -12.7640 -12.6334 -12.6334 -5.1175 -5.1175 3.5062 3.5062 7.7082 7.7082 9.4441 9.4441 18.6968 18.6968 19.4863 19.4863 21.5928 21.5928 22.5049 22.5049 k = 0.1818 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7950 -40.7950 -13.1071 -13.1071 -12.7697 -12.7697 -12.6341 -12.6341 -5.1002 -5.1002 3.5416 3.5416 7.5808 7.5808 9.4628 9.4628 18.4927 18.4927 19.5165 19.5165 21.8068 21.8068 22.5063 22.5063 k = 0.1909 0.5000-0.0000 ( 1464 PWs) bands (ev): -40.7944 -40.7944 -13.1031 -13.1031 -12.7755 -12.7755 -12.6347 -12.6347 -5.0822 -5.0822 3.5782 3.5782 7.4527 7.4527 9.4821 9.4821 18.2918 18.2918 19.5480 19.5480 22.0245 22.0245 22.5077 22.5077 k = 0.2000 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7938 -40.7938 -13.0990 -13.0990 -12.7817 -12.7817 -12.6351 -12.6351 -5.0637 -5.0637 3.6161 3.6161 7.3244 7.3244 9.5020 9.5020 18.0943 18.0943 19.5807 19.5807 22.2449 22.2449 22.5092 22.5092 k = 0.2091 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7932 -40.7932 -13.0948 -13.0948 -12.7880 -12.7880 -12.6354 -12.6354 -5.0445 -5.0445 3.6550 3.6550 7.1961 7.1961 9.5224 9.5224 17.9004 17.9004 19.6144 19.6144 22.4673 22.4673 22.5109 22.5109 k = 0.2182 0.5000-0.0000 ( 1464 PWs) bands (ev): -40.7925 -40.7925 -13.0906 -13.0906 -12.7944 -12.7944 -12.6356 -12.6356 -5.0249 -5.0249 3.6950 3.6950 7.0683 7.0683 9.5433 9.5433 17.7101 17.7101 19.6492 19.6492 22.5122 22.5122 22.6913 22.6913 k = 0.2273 0.5000-0.0000 ( 1460 PWs) bands (ev): -40.7919 -40.7919 -13.0864 -13.0864 -12.8009 -12.8009 -12.6357 -12.6357 -5.0048 -5.0048 3.7359 3.7359 6.9414 6.9414 9.5646 9.5646 17.5236 17.5236 19.6850 19.6850 22.5138 22.5138 22.9153 22.9153 k = 0.2364 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7913 -40.7913 -13.0824 -13.0824 -12.8077 -12.8077 -12.6358 -12.6358 -4.9844 -4.9844 3.7775 3.7775 6.8155 6.8155 9.5862 9.5862 17.3409 17.3409 19.7216 19.7216 22.5153 22.5153 23.1387 23.1387 k = 0.2455 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7906 -40.7906 -13.0783 -13.0783 -12.8144 -12.8144 -12.6357 -12.6357 -4.9636 -4.9636 3.8198 3.8198 6.6912 6.6912 9.6081 9.6081 17.1623 17.1623 19.7591 19.7591 22.5169 22.5169 23.3603 23.3603 k = 0.2545 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7900 -40.7900 -13.0743 -13.0743 -12.8211 -12.8211 -12.6356 -12.6356 -4.9425 -4.9425 3.8627 3.8627 6.5686 6.5686 9.6302 9.6302 16.9879 16.9879 19.7974 19.7974 22.5185 22.5185 23.5792 23.5792 k = 0.2636 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7893 -40.7893 -13.0704 -13.0704 -12.8277 -12.8277 -12.6354 -12.6354 -4.9212 -4.9212 3.9060 3.9060 6.4481 6.4481 9.6525 9.6525 16.8178 16.8178 19.8363 19.8363 22.5200 22.5200 23.7939 23.7939 k = 0.2727 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7887 -40.7887 -13.0665 -13.0665 -12.8342 -12.8342 -12.6351 -12.6351 -4.8997 -4.8997 3.9497 3.9497 6.3298 6.3298 9.6748 9.6748 16.6521 16.6521 19.8757 19.8757 22.5216 22.5216 24.0032 24.0032 k = 0.2818 0.5000-0.0000 ( 1464 PWs) bands (ev): -40.7880 -40.7880 -13.0628 -13.0628 -12.8406 -12.8406 -12.6348 -12.6348 -4.8782 -4.8782 3.9935 3.9935 6.2141 6.2141 9.6971 9.6971 16.4911 16.4911 19.9156 19.9156 22.5231 22.5231 24.2032 24.2032 k = 0.2909 0.5000-0.0000 ( 1464 PWs) bands (ev): -40.7874 -40.7874 -13.0593 -13.0593 -12.8468 -12.8468 -12.6344 -12.6344 -4.8566 -4.8566 4.0374 4.0374 6.1012 6.1012 9.7193 9.7193 16.3347 16.3347 19.9558 19.9558 22.5247 22.5247 24.0852 24.0852 k = 0.3000 0.5000-0.0000 ( 1470 PWs) bands (ev): -40.7868 -40.7868 -13.0561 -13.0561 -12.8529 -12.8529 -12.6342 -12.6342 -4.8351 -4.8351 4.0811 4.0811 5.9913 5.9913 9.7414 9.7414 16.1832 16.1832 19.9962 19.9962 22.5262 22.5262 23.9611 23.9611 k = 0.3091 0.5000-0.0000 ( 1470 PWs) bands (ev): -40.7862 -40.7862 -13.0530 -13.0530 -12.8587 -12.8587 -12.6337 -12.6337 -4.8137 -4.8137 4.1246 4.1246 5.8846 5.8846 9.7632 9.7632 16.0368 16.0368 20.0366 20.0366 22.5277 22.5277 23.8413 23.8413 k = 0.3182 0.5000-0.0000 ( 1470 PWs) bands (ev): -40.7856 -40.7856 -13.0501 -13.0501 -12.8642 -12.8642 -12.6333 -12.6333 -4.7926 -4.7926 4.1677 4.1677 5.7814 5.7814 9.7847 9.7847 15.8956 15.8956 20.0770 20.0770 22.5291 22.5291 23.7261 23.7261 k = 0.3273 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.7850 -40.7850 -13.0474 -13.0474 -12.8693 -12.8693 -12.6328 -12.6328 -4.7717 -4.7717 4.2102 4.2102 5.6818 5.6818 9.8059 9.8059 15.7597 15.7597 20.1172 20.1172 22.5305 22.5305 23.6156 23.6156 k = 0.3364 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.7845 -40.7845 -13.0451 -13.0451 -12.8742 -12.8742 -12.6324 -12.6324 -4.7512 -4.7512 4.2519 4.2519 5.5861 5.5861 9.8265 9.8265 15.6294 15.6294 20.1570 20.1570 22.5319 22.5319 23.5098 23.5098 k = 0.3455 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.7839 -40.7839 -13.0430 -13.0430 -12.8787 -12.8787 -12.6319 -12.6319 -4.7312 -4.7312 4.2927 4.2927 5.4944 5.4944 9.8466 9.8466 15.5048 15.5048 20.1963 20.1963 22.5332 22.5332 23.4090 23.4090 k = 0.3545 0.5000-0.0000 ( 1466 PWs) bands (ev): -40.7834 -40.7834 -13.0413 -13.0413 -12.8829 -12.8829 -12.6316 -12.6316 -4.7118 -4.7118 4.3325 4.3325 5.4069 5.4069 9.8661 9.8661 15.3860 15.3860 20.2348 20.2348 22.5345 22.5345 23.3132 23.3132 k = 0.3636 0.5000-0.0000 ( 1466 PWs) bands (ev): -40.7829 -40.7829 -13.0398 -13.0398 -12.8866 -12.8866 -12.6311 -12.6311 -4.6929 -4.6929 4.3709 4.3709 5.3237 5.3237 9.8848 9.8848 15.2733 15.2733 20.2724 20.2724 22.5357 22.5357 23.2225 23.2225 k = 0.3727 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.7824 -40.7824 -13.0386 -13.0386 -12.8900 -12.8900 -12.6306 -12.6306 -4.6748 -4.6748 4.4079 4.4079 5.2452 5.2452 9.9028 9.9028 15.1668 15.1668 20.3089 20.3089 22.5369 22.5369 23.1372 23.1372 k = 0.3818 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.7820 -40.7820 -13.0377 -13.0377 -12.8929 -12.8929 -12.6301 -12.6301 -4.6575 -4.6575 4.4433 4.4433 5.1713 5.1713 9.9199 9.9199 15.0667 15.0667 20.3442 20.3442 22.5380 22.5380 23.0573 23.0573 k = 0.3909 0.5000-0.0000 ( 1466 PWs) bands (ev): -40.7816 -40.7816 -13.0371 -13.0371 -12.8956 -12.8956 -12.6298 -12.6298 -4.6411 -4.6411 4.4769 4.4769 5.1024 5.1024 9.9361 9.9361 14.9731 14.9731 20.3779 20.3779 22.5391 22.5391 22.9828 22.9828 k = 0.4000 0.5000-0.0000 ( 1464 PWs) bands (ev): -40.7812 -40.7812 -13.0367 -13.0367 -12.8978 -12.8978 -12.6294 -12.6294 -4.6256 -4.6256 4.5085 4.5085 5.0384 5.0384 9.9512 9.9512 14.8863 14.8863 20.4099 20.4099 22.5400 22.5400 22.9139 22.9139 k = 0.4091 0.5000-0.0000 ( 1468 PWs) bands (ev): -40.7808 -40.7808 -13.0365 -13.0365 -12.8997 -12.8997 -12.6290 -12.6290 -4.6112 -4.6112 4.5379 4.5379 4.9796 4.9796 9.9653 9.9653 14.8064 14.8064 20.4401 20.4401 22.5409 22.5409 22.8507 22.8507 k = 0.4182 0.5000-0.0000 ( 1472 PWs) bands (ev): -40.7805 -40.7805 -13.0365 -13.0365 -12.9014 -12.9014 -12.6287 -12.6287 -4.5979 -4.5979 4.5649 4.5649 4.9262 4.9262 9.9783 9.9783 14.7336 14.7336 20.4681 20.4681 22.5417 22.5417 22.7932 22.7932 k = 0.4273 0.5000-0.0000 ( 1472 PWs) bands (ev): -40.7802 -40.7802 -13.0366 -13.0366 -12.9027 -12.9027 -12.6284 -12.6284 -4.5858 -4.5858 4.5893 4.5893 4.8783 4.8783 9.9901 9.9901 14.6680 14.6680 20.4938 20.4938 22.5425 22.5425 22.7416 22.7416 k = 0.4364 0.5000-0.0000 ( 1476 PWs) bands (ev): -40.7799 -40.7799 -13.0369 -13.0369 -12.9037 -12.9037 -12.6282 -12.6282 -4.5750 -4.5750 4.6110 4.6110 4.8360 4.8360 10.0006 10.0006 14.6097 14.6097 20.5170 20.5170 22.5431 22.5431 22.6958 22.6958 k = 0.4455 0.5000-0.0000 ( 1476 PWs) bands (ev): -40.7797 -40.7797 -13.0371 -13.0371 -12.9045 -12.9045 -12.6280 -12.6280 -4.5655 -4.5655 4.6295 4.6295 4.7997 4.7997 10.0098 10.0098 14.5589 14.5589 20.5375 20.5375 22.5437 22.5437 22.6561 22.6561 k = 0.4545 0.5000-0.0000 ( 1476 PWs) bands (ev): -40.7795 -40.7795 -13.0374 -13.0374 -12.9052 -12.9052 -12.6278 -12.6278 -4.5573 -4.5573 4.6445 4.6445 4.7697 4.7697 10.0177 10.0177 14.5157 14.5157 20.5552 20.5552 22.5442 22.5442 22.6223 22.6223 k = 0.4636 0.5000-0.0000 ( 1476 PWs) bands (ev): -40.7793 -40.7793 -13.0377 -13.0377 -12.9057 -12.9057 -12.6276 -12.6276 -4.5506 -4.5506 4.6555 4.6555 4.7465 4.7465 10.0242 10.0242 14.4802 14.4802 20.5699 20.5699 22.5446 22.5446 22.5947 22.5947 k = 0.4727 0.5000-0.0000 ( 1476 PWs) bands (ev): -40.7792 -40.7792 -13.0379 -13.0379 -12.9060 -12.9060 -12.6274 -12.6274 -4.5453 -4.5453 4.6618 4.6618 4.7308 4.7308 10.0292 10.0292 14.4525 14.4525 20.5814 20.5814 22.5449 22.5449 22.5731 22.5731 k = 0.4818 0.5000-0.0000 ( 1476 PWs) bands (ev): -40.7791 -40.7791 -13.0381 -13.0381 -12.9062 -12.9062 -12.6273 -12.6273 -4.5415 -4.5415 4.6637 4.6637 4.7222 4.7222 10.0329 10.0329 14.4327 14.4327 20.5897 20.5897 22.5451 22.5451 22.5577 22.5577 k = 0.4909 0.5000-0.0000 ( 1484 PWs) bands (ev): -40.7791 -40.7791 -13.0384 -13.0384 -12.9065 -12.9065 -12.6274 -12.6274 -4.5392 -4.5392 4.6630 4.6630 4.7189 4.7189 10.0351 10.0351 14.4208 14.4208 20.5948 20.5948 22.5451 22.5451 22.5486 22.5486 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): -40.7791 -40.7791 -13.0385 -13.0385 -12.9066 -12.9066 -12.6274 -12.6274 -4.5385 -4.5385 4.6624 4.6624 4.7181 4.7181 10.0358 10.0358 14.4168 14.4168 20.5964 20.5964 22.5445 22.5445 22.5462 22.5462 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): -40.7791 -40.7791 -13.0385 -13.0385 -12.9066 -12.9066 -12.6274 -12.6274 -4.5385 -4.5385 4.6624 4.6624 4.7181 4.7181 10.0358 10.0358 14.4168 14.4168 20.5964 20.5964 22.5445 22.5445 22.5462 22.5462 k = 0.4936 0.4936-0.0000 ( 1484 PWs) bands (ev): -40.7791 -40.7791 -13.0384 -13.0384 -12.9065 -12.9065 -12.6273 -12.6273 -4.5392 -4.5392 4.6631 4.6631 4.7188 4.7188 10.0351 10.0351 14.4208 14.4208 20.5948 20.5948 22.5459 22.5459 22.5478 22.5478 k = 0.4872 0.4872-0.0000 ( 1480 PWs) bands (ev): -40.7791 -40.7791 -13.0382 -13.0382 -12.9063 -12.9063 -12.6274 -12.6274 -4.5415 -4.5415 4.6650 4.6650 4.7208 4.7208 10.0329 10.0329 14.4326 14.4326 20.5898 20.5898 22.5499 22.5499 22.5528 22.5528 k = 0.4808 0.4808-0.0000 ( 1480 PWs) bands (ev): -40.7792 -40.7792 -13.0380 -13.0380 -12.9061 -12.9061 -12.6275 -12.6275 -4.5453 -4.5453 4.6682 4.6682 4.7243 4.7243 10.0293 10.0293 14.4523 14.4523 20.5814 20.5814 22.5562 22.5562 22.5617 22.5617 k = 0.4744 0.4744-0.0000 ( 1480 PWs) bands (ev): -40.7794 -40.7794 -13.0377 -13.0377 -12.9058 -12.9058 -12.6276 -12.6276 -4.5506 -4.5506 4.6726 4.6726 4.7294 4.7294 10.0242 10.0242 14.4799 14.4799 20.5697 20.5697 22.5648 22.5648 22.5742 22.5742 k = 0.4679 0.4679-0.0000 ( 1480 PWs) bands (ev): -40.7795 -40.7795 -13.0373 -13.0373 -12.9053 -12.9053 -12.6278 -12.6278 -4.5575 -4.5575 4.6780 4.6780 4.7363 4.7363 10.0177 10.0177 14.5152 14.5152 20.5547 20.5547 22.5758 22.5758 22.5903 22.5903 k = 0.4615 0.4615-0.0000 ( 1478 PWs) bands (ev): -40.7797 -40.7797 -13.0369 -13.0369 -12.9048 -12.9048 -12.6280 -12.6280 -4.5659 -4.5659 4.6842 4.6842 4.7451 4.7451 10.0098 10.0098 14.5582 14.5582 20.5365 20.5365 22.5892 22.5892 22.6099 22.6099 k = 0.4551 0.4551-0.0000 ( 1478 PWs) bands (ev): -40.7799 -40.7799 -13.0363 -13.0363 -12.9042 -12.9042 -12.6282 -12.6282 -4.5758 -4.5758 4.6913 4.6913 4.7561 4.7561 10.0006 10.0006 14.6089 14.6089 20.5149 20.5149 22.6050 22.6050 22.6330 22.6330 k = 0.4487 0.4487-0.0000 ( 1480 PWs) bands (ev): -40.7802 -40.7802 -13.0358 -13.0358 -12.9035 -12.9035 -12.6285 -12.6285 -4.5872 -4.5872 4.6991 4.6991 4.7692 4.7692 9.9900 9.9900 14.6670 14.6670 20.4901 20.4901 22.6233 22.6233 22.6594 22.6594 k = 0.4423 0.4423-0.0000 ( 1480 PWs) bands (ev): -40.7805 -40.7805 -13.0351 -13.0351 -12.9027 -12.9027 -12.6289 -12.6289 -4.6002 -4.6002 4.7078 4.7078 4.7846 4.7846 9.9782 9.9782 14.7325 14.7325 20.4621 20.4621 22.6440 22.6440 22.6892 22.6892 k = 0.4359 0.4359-0.0000 ( 1478 PWs) bands (ev): -40.7809 -40.7809 -13.0343 -13.0343 -12.9017 -12.9017 -12.6292 -12.6292 -4.6147 -4.6147 4.7174 4.7174 4.8023 4.8023 9.9651 9.9651 14.8052 14.8052 20.4310 20.4310 22.6670 22.6670 22.7223 22.7223 k = 0.4295 0.4295-0.0000 ( 1470 PWs) bands (ev): -40.7812 -40.7812 -13.0334 -13.0334 -12.9005 -12.9005 -12.6296 -12.6296 -4.6308 -4.6308 4.7280 4.7280 4.8222 4.8222 9.9507 9.9507 14.8851 14.8851 20.3968 20.3968 22.6925 22.6925 22.7586 22.7586 k = 0.4231 0.4231-0.0000 ( 1466 PWs) bands (ev): -40.7816 -40.7816 -13.0324 -13.0324 -12.8992 -12.8992 -12.6300 -12.6300 -4.6484 -4.6484 4.7397 4.7397 4.8444 4.8444 9.9353 9.9353 14.9719 14.9719 20.3595 20.3595 22.7204 22.7204 22.7980 22.7980 k = 0.4167 0.4167-0.0000 ( 1466 PWs) bands (ev): -40.7820 -40.7820 -13.0314 -13.0314 -12.8979 -12.8979 -12.6305 -12.6305 -4.6676 -4.6676 4.7528 4.7528 4.8688 4.8688 9.9187 9.9187 15.0655 15.0655 20.3192 20.3192 22.7506 22.7506 22.8404 22.8404 k = 0.4103 0.4103-0.0000 ( 1466 PWs) bands (ev): -40.7825 -40.7825 -13.0304 -13.0304 -12.8964 -12.8964 -12.6310 -12.6310 -4.6883 -4.6883 4.7673 4.7673 4.8953 4.8953 9.9011 9.9011 15.1657 15.1657 20.2761 20.2761 22.7832 22.7832 22.8857 22.8857 k = 0.4038 0.4038-0.0000 ( 1470 PWs) bands (ev): -40.7830 -40.7830 -13.0293 -13.0293 -12.8947 -12.8947 -12.6316 -12.6316 -4.7106 -4.7106 4.7834 4.7834 4.9239 4.9239 9.8824 9.8824 15.2724 15.2724 20.2301 20.2301 22.8182 22.8182 22.9338 22.9338 k = 0.3974 0.3974-0.0000 ( 1474 PWs) bands (ev): -40.7836 -40.7836 -13.0282 -13.0282 -12.8930 -12.8930 -12.6322 -12.6322 -4.7344 -4.7344 4.8013 4.8013 4.9547 4.9547 9.8629 9.8629 15.3853 15.3853 20.1814 20.1814 22.8555 22.8555 22.9847 22.9847 k = 0.3910 0.3910-0.0000 ( 1472 PWs) bands (ev): -40.7841 -40.7841 -13.0269 -13.0269 -12.8910 -12.8910 -12.6328 -12.6328 -4.7597 -4.7597 4.8210 4.8210 4.9874 4.9874 9.8424 9.8424 15.5043 15.5043 20.1301 20.1301 22.8952 22.8952 23.0382 23.0382 k = 0.3846 0.3846-0.0000 ( 1472 PWs) bands (ev): -40.7847 -40.7847 -13.0255 -13.0255 -12.8888 -12.8888 -12.6334 -12.6334 -4.7865 -4.7865 4.8427 4.8427 5.0223 5.0223 9.8212 9.8212 15.6291 15.6291 20.0762 20.0762 22.9371 22.9371 23.0942 23.0942 k = 0.3782 0.3782-0.0000 ( 1472 PWs) bands (ev): -40.7854 -40.7854 -13.0241 -13.0241 -12.8865 -12.8865 -12.6341 -12.6341 -4.8148 -4.8148 4.8664 4.8664 5.0591 5.0591 9.7992 9.7992 15.7596 15.7596 20.0200 20.0200 22.9813 22.9813 23.1526 23.1526 k = 0.3718 0.3718-0.0000 ( 1472 PWs) bands (ev): -40.7860 -40.7860 -13.0225 -13.0225 -12.8840 -12.8840 -12.6347 -12.6347 -4.8445 -4.8445 4.8924 4.8924 5.0979 5.0979 9.7765 9.7765 15.8956 15.8956 19.9615 19.9615 23.0279 23.0279 23.2132 23.2132 k = 0.3654 0.3654-0.0000 ( 1462 PWs) bands (ev): -40.7867 -40.7867 -13.0208 -13.0208 -12.8812 -12.8812 -12.6353 -12.6353 -4.8757 -4.8757 4.9207 4.9207 5.1388 5.1388 9.7532 9.7532 16.0368 16.0368 19.9008 19.9008 23.0767 23.0767 23.2761 23.2761 k = 0.3590 0.3590-0.0000 ( 1470 PWs) bands (ev): -40.7874 -40.7874 -13.0192 -13.0192 -12.8785 -12.8785 -12.6361 -12.6361 -4.9083 -4.9083 4.9514 4.9514 5.1815 5.1815 9.7293 9.7293 16.1831 16.1831 19.8381 19.8381 23.1277 23.1277 23.3410 23.3410 k = 0.3526 0.3526-0.0000 ( 1470 PWs) bands (ev): -40.7881 -40.7881 -13.0173 -13.0173 -12.8755 -12.8755 -12.6369 -12.6369 -4.9424 -4.9424 4.9845 4.9845 5.2263 5.2263 9.7050 9.7050 16.3340 16.3340 19.7736 19.7736 23.1809 23.1809 23.4078 23.4078 k = 0.3462 0.3462-0.0000 ( 1470 PWs) bands (ev): -40.7889 -40.7889 -13.0154 -13.0154 -12.8724 -12.8724 -12.6376 -12.6376 -4.9777 -4.9777 5.0201 5.0201 5.2729 5.2729 9.6802 9.6802 16.4896 16.4896 19.7073 19.7073 23.2363 23.2363 23.4765 23.4765 k = 0.3397 0.3397-0.0000 ( 1470 PWs) bands (ev): -40.7896 -40.7896 -13.0133 -13.0133 -12.8691 -12.8691 -12.6384 -12.6384 -5.0143 -5.0143 5.0583 5.0583 5.3215 5.3215 9.6550 9.6550 16.6494 16.6494 19.6395 19.6395 23.2938 23.2938 23.5469 23.5469 k = 0.3333 0.3333-0.0000 ( 1478 PWs) bands (ev): -40.7905 -40.7905 -13.0112 -13.0112 -12.8657 -12.8657 -12.6393 -12.6393 -5.0522 -5.0522 5.0991 5.0991 5.3720 5.3720 9.6295 9.6295 16.8131 16.8131 19.5702 19.5702 23.3535 23.3535 23.6188 23.6188 k = 0.3269 0.3269-0.0000 ( 1466 PWs) bands (ev): -40.7912 -40.7912 -13.0087 -13.0087 -12.8620 -12.8620 -12.6399 -12.6399 -5.0913 -5.0913 5.1426 5.1426 5.4243 5.4243 9.6038 9.6038 16.9806 16.9806 19.4997 19.4997 23.4153 23.4153 23.6923 23.6923 k = 0.3205 0.3205-0.0000 ( 1466 PWs) bands (ev): -40.7921 -40.7921 -13.0062 -13.0062 -12.8582 -12.8582 -12.6407 -12.6407 -5.1316 -5.1316 5.1888 5.1888 5.4785 5.4785 9.5779 9.5779 17.1514 17.1514 19.4282 19.4282 23.4791 23.4791 23.7670 23.7670 k = 0.3141 0.3141-0.0000 ( 1466 PWs) bands (ev): -40.7929 -40.7929 -13.0035 -13.0035 -12.8543 -12.8543 -12.6415 -12.6415 -5.1730 -5.1730 5.2377 5.2377 5.5345 5.5345 9.5518 9.5518 17.3252 17.3252 19.3558 19.3558 23.5450 23.5450 23.8386 23.8386 k = 0.3077 0.3077-0.0000 ( 1458 PWs) bands (ev): -40.7938 -40.7938 -13.0007 -13.0007 -12.8502 -12.8502 -12.6422 -12.6422 -5.2153 -5.2153 5.2893 5.2893 5.5923 5.5923 9.5257 9.5257 17.5015 17.5015 19.2828 19.2828 23.6129 23.6129 23.6924 23.6924 k = 0.3013 0.3013-0.0000 ( 1458 PWs) bands (ev): -40.7947 -40.7947 -12.9977 -12.9977 -12.8460 -12.8460 -12.6430 -12.6430 -5.2587 -5.2587 5.3436 5.3436 5.6519 5.6519 9.4995 9.4995 17.6798 17.6798 19.2093 19.2093 23.5223 23.5223 23.6827 23.6828 k = 0.2949 0.2949-0.0000 ( 1458 PWs) bands (ev): -40.7955 -40.7955 -12.9946 -12.9946 -12.8417 -12.8417 -12.6438 -12.6438 -5.3030 -5.3030 5.4006 5.4006 5.7132 5.7132 9.4733 9.4733 17.8594 17.8594 19.1359 19.1359 23.3472 23.3472 23.7545 23.7545 k = 0.2885 0.2885-0.0000 ( 1458 PWs) bands (ev): -40.7965 -40.7965 -12.9913 -12.9913 -12.8373 -12.8373 -12.6447 -12.6447 -5.3480 -5.3480 5.4602 5.4602 5.7763 5.7763 9.4472 9.4472 18.0394 18.0394 19.0632 19.0632 23.1679 23.1679 23.8281 23.8281 k = 0.2821 0.2821-0.0000 ( 1454 PWs) bands (ev): -40.7974 -40.7974 -12.9877 -12.9877 -12.8328 -12.8328 -12.6455 -12.6455 -5.3939 -5.3939 5.5226 5.5226 5.8411 5.8411 9.4213 9.4213 18.2179 18.2179 18.9922 18.9922 22.9849 22.9849 23.9035 23.9035 k = 0.2756 0.2756-0.0000 ( 1454 PWs) bands (ev): -40.7983 -40.7983 -12.9841 -12.9841 -12.8282 -12.8282 -12.6463 -12.6463 -5.4404 -5.4404 5.5875 5.5875 5.9075 5.9075 9.3955 9.3955 18.3912 18.3912 18.9263 18.9263 22.7987 22.7987 23.9807 23.9807 k = 0.2692 0.2692-0.0000 ( 1454 PWs) bands (ev): -40.7992 -40.7992 -12.9802 -12.9802 -12.8235 -12.8235 -12.6471 -12.6471 -5.4875 -5.4875 5.6549 5.6549 5.9755 5.9755 9.3698 9.3698 18.5469 18.5469 18.8773 18.8773 22.6097 22.6097 24.0596 24.0596 k = 0.2628 0.2628-0.0000 ( 1454 PWs) bands (ev): -40.8002 -40.8002 -12.9762 -12.9762 -12.8187 -12.8187 -12.6479 -12.6479 -5.5351 -5.5351 5.7249 5.7249 6.0451 6.0451 9.3445 9.3445 18.6352 18.6352 18.8937 18.8937 22.4184 22.4184 23.9912 23.9912 k = 0.2564 0.2564-0.0000 ( 1454 PWs) bands (ev): -40.8011 -40.8011 -12.9720 -12.9720 -12.8139 -12.8139 -12.6486 -12.6486 -5.5832 -5.5832 5.7973 5.7973 6.1163 6.1163 9.3194 9.3194 18.6182 18.6182 19.0125 19.0125 22.2253 22.2253 23.8500 23.8500 k = 0.2500 0.2500-0.0000 ( 1438 PWs) bands (ev): -40.8020 -40.8020 -12.9674 -12.9674 -12.8088 -12.8088 -12.6493 -12.6493 -5.6316 -5.6316 5.8721 5.8721 6.1889 6.1889 9.2946 9.2946 18.5607 18.5607 19.1673 19.1673 22.0308 22.0308 23.7123 23.7123 k = 0.2436 0.2436-0.0000 ( 1448 PWs) bands (ev): -40.8030 -40.8030 -12.9632 -12.9632 -12.8039 -12.8039 -12.6500 -12.6500 -5.6803 -5.6803 5.9491 5.9491 6.2630 6.2630 9.2702 9.2702 18.4931 18.4931 19.3259 19.3259 21.8352 21.8352 23.5805 23.5805 k = 0.2372 0.2372-0.0000 ( 1448 PWs) bands (ev): -40.8039 -40.8039 -12.9585 -12.9585 -12.7989 -12.7989 -12.6507 -12.6507 -5.7292 -5.7292 6.0284 6.0284 6.3384 6.3384 9.2462 9.2462 18.4223 18.4223 19.4789 19.4789 21.6388 21.6388 23.4578 23.4578 k = 0.2308 0.2308-0.0000 ( 1452 PWs) bands (ev): -40.8049 -40.8049 -12.9537 -12.9537 -12.7939 -12.7939 -12.6515 -12.6515 -5.7782 -5.7782 6.1097 6.1097 6.4152 6.4152 9.2226 9.2226 18.3505 18.3505 19.6214 19.6214 21.4421 21.4421 23.3474 23.3474 k = 0.2244 0.2244-0.0000 ( 1450 PWs) bands (ev): -40.8058 -40.8058 -12.9488 -12.9488 -12.7887 -12.7887 -12.6521 -12.6521 -5.8271 -5.8271 6.1930 6.1930 6.4932 6.4932 9.1995 9.1995 18.2786 18.2786 19.7491 19.7491 21.2454 21.2454 23.2535 23.2535 k = 0.2179 0.2179-0.0000 ( 1450 PWs) bands (ev): -40.8068 -40.8068 -12.9438 -12.9438 -12.7836 -12.7836 -12.6526 -12.6526 -5.8760 -5.8760 6.2782 6.2782 6.5724 6.5724 9.1768 9.1768 18.2070 18.2070 19.8576 19.8576 21.0490 21.0490 23.1802 23.1802 k = 0.2115 0.2115-0.0000 ( 1450 PWs) bands (ev): -40.8077 -40.8077 -12.9386 -12.9386 -12.7784 -12.7784 -12.6532 -12.6532 -5.9247 -5.9247 6.3652 6.3652 6.6528 6.6528 9.1546 9.1546 18.1359 18.1359 19.9428 19.9428 20.8531 20.8531 23.1319 23.1319 k = 0.2051 0.2051-0.0000 ( 1446 PWs) bands (ev): -40.8086 -40.8086 -12.9334 -12.9334 -12.7732 -12.7732 -12.6536 -12.6536 -5.9732 -5.9732 6.4537 6.4537 6.7341 6.7341 9.1330 9.1330 18.0657 18.0657 20.0010 20.0010 20.6581 20.6581 23.1123 23.1123 k = 0.1987 0.1987-0.0000 ( 1446 PWs) bands (ev): -40.8095 -40.8095 -12.9281 -12.9281 -12.7680 -12.7680 -12.6541 -12.6541 -6.0213 -6.0213 6.5438 6.5438 6.8164 6.8164 9.1119 9.1119 17.9963 17.9963 20.0298 20.0298 20.4644 20.4644 23.1240 23.1240 k = 0.1923 0.1923-0.0000 ( 1448 PWs) bands (ev): -40.8105 -40.8105 -12.9229 -12.9229 -12.7628 -12.7628 -12.6545 -12.6545 -6.0690 -6.0690 6.6351 6.6351 6.8995 6.8995 9.0913 9.0913 17.9280 17.9280 20.0285 20.0285 20.2722 20.2722 23.1676 23.1676 k = 0.1859 0.1859-0.0000 ( 1444 PWs) bands (ev): -40.8113 -40.8113 -12.9175 -12.9175 -12.7575 -12.7575 -12.6547 -12.6547 -6.1161 -6.1161 6.7277 6.7277 6.9834 6.9834 9.0713 9.0713 17.8609 17.8609 19.9974 19.9974 20.0830 20.0830 23.2417 23.2417 k = 0.1795 0.1795-0.0000 ( 1444 PWs) bands (ev): -40.8122 -40.8122 -12.9121 -12.9121 -12.7523 -12.7523 -12.6550 -12.6550 -6.1627 -6.1627 6.8212 6.8212 7.0678 7.0678 9.0520 9.0520 17.7949 17.7949 19.8881 19.8881 19.9484 19.9484 23.3435 23.3435 k = 0.1731 0.1731-0.0000 ( 1440 PWs) bands (ev): -40.8131 -40.8131 -12.9067 -12.9067 -12.7470 -12.7470 -12.6552 -12.6552 -6.2085 -6.2085 6.9155 6.9155 7.1528 7.1528 9.0332 9.0332 17.7303 17.7303 19.7038 19.7038 19.8694 19.8694 23.4690 23.4690 k = 0.1667 0.1667-0.0000 ( 1440 PWs) bands (ev): -40.8139 -40.8139 -12.9015 -12.9015 -12.7418 -12.7418 -12.6554 -12.6554 -6.2536 -6.2536 7.0104 7.0104 7.2382 7.2382 9.0151 9.0151 17.6670 17.6670 19.5200 19.5200 19.7749 19.7749 23.6141 23.6141 k = 0.1603 0.1603-0.0000 ( 1440 PWs) bands (ev): -40.8148 -40.8148 -12.8962 -12.8962 -12.7366 -12.7366 -12.6555 -12.6555 -6.2978 -6.2978 7.1058 7.1058 7.3237 7.3237 8.9976 8.9976 17.6052 17.6052 19.3387 19.3387 19.6671 19.6671 23.7746 23.7746 k = 0.1538 0.1538-0.0000 ( 1440 PWs) bands (ev): -40.8156 -40.8156 -12.8911 -12.8911 -12.7314 -12.7314 -12.6555 -12.6555 -6.3410 -6.3410 7.2013 7.2013 7.4093 7.4093 8.9808 8.9808 17.5448 17.5448 19.1604 19.1604 19.5493 19.5493 23.9472 23.9472 k = 0.1474 0.1474-0.0000 ( 1440 PWs) bands (ev): -40.8164 -40.8164 -12.8861 -12.8861 -12.7262 -12.7262 -12.6555 -12.6555 -6.3833 -6.3833 7.2967 7.2967 7.4949 7.4949 8.9647 8.9647 17.4859 17.4859 18.9853 18.9853 19.4243 19.4243 24.1286 24.1286 k = 0.1410 0.1410-0.0000 ( 1440 PWs) bands (ev): -40.8171 -40.8171 -12.8812 -12.8812 -12.7211 -12.7211 -12.6555 -12.6555 -6.4244 -6.4244 7.3918 7.3918 7.5801 7.5801 8.9492 8.9492 17.4285 17.4285 18.8138 18.8138 19.2946 19.2946 24.3164 24.3164 k = 0.1346 0.1346-0.0000 ( 1440 PWs) bands (ev): -40.8179 -40.8179 -12.8764 -12.8764 -12.7161 -12.7161 -12.6553 -12.6553 -6.4643 -6.4643 7.4863 7.4863 7.6649 7.6649 8.9345 8.9345 17.3727 17.3727 18.6461 18.6461 19.1622 19.1622 24.5082 24.5082 k = 0.1282 0.1282-0.0000 ( 1440 PWs) bands (ev): -40.8186 -40.8186 -12.8719 -12.8719 -12.7110 -12.7110 -12.6552 -12.6552 -6.5029 -6.5029 7.5799 7.5799 7.7490 7.7490 8.9204 8.9204 17.3184 17.3184 18.4827 18.4827 19.0287 19.0287 24.7022 24.7022 k = 0.1218 0.1218-0.0000 ( 1438 PWs) bands (ev): -40.8193 -40.8193 -12.8674 -12.8674 -12.7061 -12.7061 -12.6549 -12.6549 -6.5402 -6.5402 7.6722 7.6722 7.8322 7.8322 8.9071 8.9071 17.2656 17.2656 18.3237 18.3237 18.8956 18.8956 24.8965 24.8966 k = 0.1154 0.1154-0.0000 ( 1430 PWs) bands (ev): -40.8199 -40.8199 -12.8632 -12.8632 -12.7011 -12.7011 -12.6546 -12.6546 -6.5761 -6.5761 7.7630 7.7630 7.9143 7.9143 8.8945 8.8945 17.2144 17.2144 18.1695 18.1695 18.7641 18.7641 25.0898 25.0898 k = 0.1090 0.1090-0.0000 ( 1426 PWs) bands (ev): -40.8205 -40.8205 -12.8591 -12.8591 -12.6963 -12.6963 -12.6542 -12.6542 -6.6105 -6.6105 7.8519 7.8519 7.9950 7.9950 8.8826 8.8826 17.1647 17.1647 18.0205 18.0205 18.6352 18.6352 25.2804 25.2804 k = 0.1026 0.1026-0.0000 ( 1426 PWs) bands (ev): -40.8211 -40.8211 -12.8554 -12.8554 -12.6917 -12.6917 -12.6539 -12.6539 -6.6433 -6.6433 7.9385 7.9385 8.0740 8.0740 8.8715 8.8715 17.1166 17.1166 17.8771 17.8771 18.5099 18.5099 25.4672 25.4672 k = 0.0962 0.0962-0.0000 ( 1428 PWs) bands (ev): -40.8217 -40.8217 -12.8519 -12.8519 -12.6872 -12.6872 -12.6535 -12.6535 -6.6745 -6.6745 8.0224 8.0224 8.1511 8.1511 8.8612 8.8612 17.0699 17.0699 17.7394 17.7394 18.3892 18.3892 25.6488 25.6488 k = 0.0897 0.0897-0.0000 ( 1428 PWs) bands (ev): -40.8222 -40.8222 -12.8486 -12.8486 -12.6828 -12.6828 -12.6532 -12.6532 -6.7040 -6.7040 8.1032 8.1032 8.2260 8.2260 8.8517 8.8517 17.0248 17.0248 17.6080 17.6080 18.2737 18.2737 25.8240 25.8240 k = 0.0833 0.0833-0.0000 ( 1428 PWs) bands (ev): -40.8228 -40.8228 -12.8455 -12.8455 -12.6786 -12.6786 -12.6527 -12.6527 -6.7318 -6.7318 8.1804 8.1804 8.2983 8.2983 8.8430 8.8430 16.9811 16.9811 17.4833 17.4833 18.1641 18.1641 25.9917 25.9917 k = 0.0769 0.0769-0.0000 ( 1428 PWs) bands (ev): -40.8232 -40.8232 -12.8427 -12.8427 -12.6746 -12.6746 -12.6523 -12.6523 -6.7578 -6.7578 8.2536 8.2536 8.3677 8.3677 8.8352 8.8352 16.9390 16.9390 17.3656 17.3656 18.0612 18.0612 26.1508 26.1508 k = 0.0705 0.0705-0.0000 ( 1426 PWs) bands (ev): -40.8237 -40.8237 -12.8401 -12.8401 -12.6708 -12.6708 -12.6519 -12.6519 -6.7819 -6.7819 8.3223 8.3223 8.4338 8.4338 8.8284 8.8284 16.8985 16.8985 17.2553 17.2553 17.9655 17.9655 26.3004 26.3004 k = 0.0641 0.0641-0.0000 ( 1430 PWs) bands (ev): -40.8241 -40.8241 -12.8378 -12.8378 -12.6674 -12.6674 -12.6516 -12.6516 -6.8040 -6.8040 8.3862 8.3862 8.4962 8.4962 8.8226 8.8226 16.8598 16.8598 17.1528 17.1528 17.8775 17.8775 26.4395 26.4395 k = 0.0577 0.0577-0.0000 ( 1430 PWs) bands (ev): -40.8244 -40.8244 -12.8357 -12.8357 -12.6641 -12.6641 -12.6512 -12.6512 -6.8242 -6.8242 8.4446 8.4446 8.5544 8.5544 8.8179 8.8179 16.8230 16.8230 17.0586 17.0586 17.7976 17.7976 26.5673 26.5673 k = 0.0513 0.0513-0.0000 ( 1434 PWs) bands (ev): -40.8248 -40.8248 -12.8339 -12.8339 -12.6611 -12.6611 -12.6509 -12.6509 -6.8425 -6.8425 8.4972 8.4972 8.6081 8.6081 8.8144 8.8144 16.7884 16.7884 16.9730 16.9730 17.7261 17.7261 26.6831 26.6831 k = 0.0449 0.0449-0.0000 ( 1434 PWs) bands (ev): -40.8251 -40.8251 -12.8323 -12.8323 -12.6584 -12.6584 -12.6505 -12.6505 -6.8586 -6.8586 8.5435 8.5435 8.6568 8.6568 8.8123 8.8123 16.7563 16.7563 16.8964 16.8964 17.6631 17.6631 26.7863 26.7863 k = 0.0385 0.0385-0.0000 ( 1432 PWs) bands (ev): -40.8253 -40.8253 -12.8308 -12.8308 -12.6561 -12.6561 -12.6501 -12.6501 -6.8727 -6.8727 8.5830 8.5830 8.7000 8.7000 8.8117 8.8117 16.7272 16.7272 16.8291 16.8291 17.6088 17.6088 26.8765 26.8765 k = 0.0321 0.0321-0.0000 ( 1434 PWs) bands (ev): -40.8255 -40.8255 -12.8297 -12.8297 -12.6541 -12.6541 -12.6499 -12.6499 -6.8847 -6.8847 8.6155 8.6155 8.7374 8.7374 8.8127 8.8127 16.7014 16.7014 16.7716 16.7716 17.5631 17.5631 26.9532 26.9532 k = 0.0256 0.0256-0.0000 ( 1424 PWs) bands (ev): -40.8257 -40.8257 -12.8286 -12.8286 -12.6522 -12.6522 -12.6496 -12.6496 -6.8945 -6.8945 8.6408 8.6408 8.7685 8.7685 8.8150 8.8150 16.6796 16.6796 16.7241 16.7241 17.5260 17.5260 27.0162 27.0162 k = 0.0192 0.0192-0.0000 ( 1419 PWs) bands (ev): -40.8258 -40.8258 -12.8278 -12.8278 -12.6508 -12.6508 -12.6493 -12.6493 -6.9022 -6.9022 8.6593 8.6593 8.7931 8.7931 8.8183 8.8183 16.6620 16.6620 16.6869 16.6869 17.4973 17.4973 27.0654 27.0654 k = 0.0128 0.0128-0.0000 ( 1419 PWs) bands (ev): -40.8259 -40.8259 -12.8273 -12.8273 -12.6499 -12.6499 -12.6492 -12.6492 -6.9076 -6.9076 8.6716 8.6716 8.8108 8.8108 8.8217 8.8217 16.6491 16.6491 16.6602 16.6602 17.4770 17.4770 27.1005 27.1006 k = 0.0064 0.0064-0.0000 ( 1419 PWs) bands (ev): -40.8260 -40.8260 -12.8269 -12.8269 -12.6493 -12.6493 -12.6491 -12.6491 -6.9109 -6.9109 8.6786 8.6786 8.8215 8.8215 8.8242 8.8242 16.6413 16.6413 16.6440 16.6440 17.4648 17.4648 27.1213 27.1215 k = 0.0000 0.0000 0.0000 ( 1419 PWs) bands (ev): -40.8260 -40.8260 -12.8268 -12.8268 -12.6491 -12.6491 -12.6491 -12.6491 -6.9120 -6.9120 8.6808 8.6808 8.8251 8.8251 8.8251 8.8251 16.6387 16.6387 16.6387 16.6387 17.4607 17.4607 27.1276 27.1276 k = 0.0000 0.0000 0.0000 ( 1419 PWs) bands (ev): -40.8260 -40.8260 -12.8268 -12.8268 -12.6491 -12.6491 -12.6491 -12.6491 -6.9120 -6.9120 8.6808 8.6808 8.8251 8.8251 8.8251 8.8251 16.6387 16.6387 16.6387 16.6387 17.4607 17.4607 27.1276 27.1276 k = 0.0052 0.0052 0.0052 ( 1419 PWs) bands (ev): -40.8260 -40.8260 -12.8269 -12.8269 -12.6493 -12.6493 -12.6492 -12.6492 -6.9110 -6.9110 8.6786 8.6786 8.8227 8.8227 8.8230 8.8230 16.6426 16.6426 16.6427 16.6427 17.4647 17.4647 27.1233 27.1243 k = 0.0104 0.0104 0.0104 ( 1419 PWs) bands (ev): -40.8259 -40.8259 -12.8273 -12.8273 -12.6497 -12.6497 -12.6493 -12.6493 -6.9077 -6.9077 8.6721 8.6721 8.8155 8.8155 8.8168 8.8168 16.6545 16.6545 16.6546 16.6546 17.4767 17.4767 27.1102 27.1105 k = 0.0156 0.0156 0.0156 ( 1419 PWs) bands (ev): -40.8258 -40.8258 -12.8278 -12.8278 -12.6505 -12.6505 -12.6496 -12.6496 -6.9023 -6.9023 8.6612 8.6612 8.8036 8.8036 8.8064 8.8064 16.6742 16.6742 16.6745 16.6745 17.4966 17.4966 27.0880 27.0881 k = 0.0208 0.0208 0.0208 ( 1425 PWs) bands (ev): -40.8257 -40.8257 -12.8286 -12.8286 -12.6518 -12.6518 -12.6500 -12.6500 -6.8947 -6.8947 8.6460 8.6460 8.7870 8.7870 8.7920 8.7920 16.7016 16.7016 16.7022 16.7022 17.5243 17.5243 27.0563 27.0565 k = 0.0260 0.0260 0.0260 ( 1422 PWs) bands (ev): -40.8255 -40.8255 -12.8295 -12.8295 -12.6531 -12.6531 -12.6505 -12.6505 -6.8849 -6.8849 8.6267 8.6267 8.7660 8.7660 8.7736 8.7736 16.7367 16.7367 16.7377 16.7377 17.5597 17.5597 27.0144 27.0158 k = 0.0312 0.0312 0.0312 ( 1428 PWs) bands (ev): -40.8253 -40.8253 -12.8307 -12.8307 -12.6549 -12.6549 -12.6512 -12.6512 -6.8731 -6.8731 8.6033 8.6033 8.7407 8.7407 8.7514 8.7514 16.7794 16.7794 16.7807 16.7807 17.6025 17.6025 26.9650 26.9655 k = 0.0365 0.0365 0.0365 ( 1440 PWs) bands (ev): -40.8251 -40.8251 -12.8322 -12.8322 -12.6569 -12.6569 -12.6521 -12.6521 -6.8591 -6.8591 8.5758 8.5758 8.7113 8.7113 8.7255 8.7255 16.8293 16.8293 16.8312 16.8312 17.6526 17.6526 26.9055 26.9059 k = 0.0417 0.0417 0.0417 ( 1431 PWs) bands (ev): -40.8248 -40.8248 -12.8336 -12.8336 -12.6591 -12.6591 -12.6529 -12.6529 -6.8431 -6.8431 8.5445 8.5445 8.6781 8.6781 8.6961 8.6961 16.8865 16.8865 16.8890 16.8890 17.7097 17.7097 26.8364 26.8371 k = 0.0469 0.0469 0.0469 ( 1431 PWs) bands (ev): -40.8245 -40.8245 -12.8353 -12.8353 -12.6615 -12.6615 -12.6539 -12.6539 -6.8251 -6.8251 8.5096 8.5096 8.6414 8.6414 8.6633 8.6633 16.9507 16.9507 16.9537 16.9537 17.7734 17.7734 26.7583 26.7590 k = 0.0521 0.0521 0.0521 ( 1431 PWs) bands (ev): -40.8241 -40.8241 -12.8373 -12.8373 -12.6642 -12.6642 -12.6549 -12.6549 -6.8051 -6.8051 8.4710 8.4710 8.6014 8.6014 8.6273 8.6273 17.0217 17.0217 17.0253 17.0253 17.8436 17.8436 26.6716 26.6719 k = 0.0573 0.0573 0.0573 ( 1431 PWs) bands (ev): -40.8237 -40.8237 -12.8394 -12.8394 -12.6671 -12.6671 -12.6561 -12.6561 -6.7831 -6.7831 8.4291 8.4291 8.5584 8.5584 8.5884 8.5884 17.0992 17.0992 17.1035 17.1035 17.9198 17.9198 26.5758 26.5758 k = 0.0625 0.0625 0.0625 ( 1431 PWs) bands (ev): -40.8232 -40.8232 -12.8417 -12.8417 -12.6702 -12.6702 -12.6574 -12.6574 -6.7593 -6.7593 8.3840 8.3840 8.5127 8.5127 8.5467 8.5467 17.1830 17.1830 17.1880 17.1880 18.0017 18.0017 26.4712 26.4715 k = 0.0677 0.0677 0.0677 ( 1433 PWs) bands (ev): -40.8228 -40.8228 -12.8442 -12.8442 -12.6735 -12.6735 -12.6588 -12.6588 -6.7336 -6.7336 8.3358 8.3358 8.4646 8.4646 8.5024 8.5024 17.2728 17.2728 17.2787 17.2787 18.0889 18.0889 26.3583 26.3589 k = 0.0729 0.0729 0.0729 ( 1433 PWs) bands (ev): -40.8223 -40.8223 -12.8469 -12.8469 -12.6770 -12.6770 -12.6603 -12.6603 -6.7061 -6.7061 8.2850 8.2850 8.4144 8.4144 8.4558 8.4558 17.3685 17.3685 17.3751 17.3751 18.1811 18.1811 26.2375 26.2383 k = 0.0781 0.0781 0.0781 ( 1433 PWs) bands (ev): -40.8217 -40.8217 -12.8497 -12.8497 -12.6805 -12.6805 -12.6619 -12.6619 -6.6768 -6.6768 8.2315 8.2315 8.3623 8.3623 8.4070 8.4070 17.4696 17.4696 17.4771 17.4771 18.2778 18.2778 26.1098 26.1103 k = 0.0833 0.0833 0.0833 ( 1439 PWs) bands (ev): -40.8212 -40.8212 -12.8528 -12.8528 -12.6843 -12.6843 -12.6636 -12.6636 -6.6459 -6.6459 8.1758 8.1758 8.3085 8.3085 8.3563 8.3563 17.5761 17.5761 17.5843 17.5843 18.3787 18.3787 25.9741 25.9751 k = 0.0885 0.0885 0.0885 ( 1439 PWs) bands (ev): -40.8206 -40.8206 -12.8559 -12.8559 -12.6881 -12.6881 -12.6654 -12.6654 -6.6133 -6.6133 8.1181 8.1181 8.2533 8.2533 8.3037 8.3037 17.6875 17.6875 17.6966 17.6966 18.4832 18.4832 25.8328 25.8343 k = 0.0938 0.0937 0.0937 ( 1439 PWs) bands (ev): -40.8199 -40.8199 -12.8592 -12.8592 -12.6919 -12.6919 -12.6673 -12.6673 -6.5792 -6.5792 8.0586 8.0586 8.1969 8.1969 8.2497 8.2497 17.8035 17.8035 17.8135 17.8135 18.5909 18.5909 25.6863 25.6867 k = 0.0990 0.0990 0.0990 ( 1439 PWs) bands (ev): -40.8192 -40.8192 -12.8626 -12.8626 -12.6958 -12.6958 -12.6693 -12.6693 -6.5436 -6.5436 7.9976 7.9976 8.1393 8.1393 8.1942 8.1942 17.9240 17.9240 17.9349 17.9349 18.7014 18.7014 25.5342 25.5357 k = 0.1042 0.1042 0.1042 ( 1439 PWs) bands (ev): -40.8185 -40.8185 -12.8661 -12.8661 -12.6998 -12.6998 -12.6713 -12.6713 -6.5065 -6.5065 7.9353 7.9353 8.0809 8.0809 8.1375 8.1375 18.0487 18.0487 18.0604 18.0604 18.8141 18.8141 25.3774 25.3774 k = 0.1094 0.1094 0.1094 ( 1445 PWs) bands (ev): -40.8178 -40.8178 -12.8698 -12.8698 -12.7038 -12.7038 -12.6735 -12.6735 -6.4681 -6.4681 7.8721 7.8721 8.0216 8.0216 8.0798 8.0798 18.1771 18.1771 18.1898 18.1898 18.9285 18.9285 25.2179 25.2207 k = 0.1146 0.1146 0.1146 ( 1445 PWs) bands (ev): -40.8170 -40.8170 -12.8735 -12.8735 -12.7078 -12.7078 -12.6757 -12.6757 -6.4284 -6.4284 7.8082 7.8082 7.9617 7.9617 8.0211 8.0211 18.3090 18.3090 18.3226 18.3226 19.0440 19.0440 25.0549 25.0554 k = 0.1198 0.1198 0.1198 ( 1451 PWs) bands (ev): -40.8163 -40.8163 -12.8774 -12.8774 -12.7119 -12.7119 -12.6781 -12.6781 -6.3874 -6.3874 7.7438 7.7438 7.9013 7.9013 7.9618 7.9618 18.4441 18.4441 18.4586 18.4586 19.1600 19.1600 24.8894 24.8894 k = 0.1250 0.1250 0.1250 ( 1457 PWs) bands (ev): -40.8155 -40.8155 -12.8813 -12.8813 -12.7160 -12.7160 -12.6805 -12.6805 -6.3453 -6.3453 7.6791 7.6791 7.8405 7.8405 7.9018 7.9018 18.5819 18.5819 18.5974 18.5974 19.2757 19.2757 24.7231 24.7264 k = 0.1302 0.1302 0.1302 ( 1457 PWs) bands (ev): -40.8146 -40.8146 -12.8852 -12.8852 -12.7199 -12.7199 -12.6829 -12.6829 -6.3020 -6.3020 7.6143 7.6143 7.7794 7.7794 7.8414 7.8414 18.7222 18.7222 18.7386 18.7386 19.3904 19.3904 24.5550 24.5589 k = 0.1354 0.1354 0.1354 ( 1457 PWs) bands (ev): -40.8138 -40.8138 -12.8891 -12.8891 -12.7239 -12.7239 -12.6854 -12.6854 -6.2577 -6.2577 7.5497 7.5497 7.7180 7.7180 7.7806 7.7806 18.8645 18.8645 18.8818 18.8818 19.5033 19.5033 24.3874 24.3911 k = 0.1406 0.1406 0.1406 ( 1457 PWs) bands (ev): -40.8129 -40.8129 -12.8930 -12.8930 -12.7278 -12.7278 -12.6880 -12.6880 -6.2124 -6.2124 7.4855 7.4855 7.6566 7.6566 7.7196 7.7196 19.0082 19.0082 19.0265 19.0265 19.6132 19.6132 24.2198 24.2198 k = 0.1458 0.1458 0.1458 ( 1457 PWs) bands (ev): -40.8120 -40.8120 -12.8969 -12.8969 -12.7317 -12.7317 -12.6906 -12.6906 -6.1663 -6.1663 7.4217 7.4217 7.5953 7.5953 7.6585 7.6585 19.1528 19.1528 19.1720 19.1720 19.7193 19.7193 24.0539 24.0539 k = 0.1510 0.1510 0.1510 ( 1460 PWs) bands (ev): -40.8110 -40.8110 -12.9009 -12.9009 -12.7356 -12.7356 -12.6933 -12.6933 -6.1193 -6.1193 7.3586 7.3586 7.5339 7.5339 7.5973 7.5973 19.2976 19.2976 19.3179 19.3179 19.8201 19.8201 23.8902 23.8902 k = 0.1562 0.1562 0.1562 ( 1460 PWs) bands (ev): -40.8101 -40.8101 -12.9047 -12.9047 -12.7393 -12.7393 -12.6960 -12.6960 -6.0715 -6.0715 7.2962 7.2962 7.4728 7.4728 7.5362 7.5362 19.4418 19.4418 19.4631 19.4631 19.9145 19.9145 23.7298 23.7342 k = 0.1615 0.1615 0.1615 ( 1466 PWs) bands (ev): -40.8091 -40.8091 -12.9087 -12.9087 -12.7431 -12.7431 -12.6988 -12.6988 -6.0230 -6.0230 7.2348 7.2348 7.4119 7.4119 7.4753 7.4753 19.5845 19.5845 19.6068 19.6068 20.0009 20.0009 23.5738 23.5738 k = 0.1667 0.1667 0.1667 ( 1466 PWs) bands (ev): -40.8081 -40.8081 -12.9125 -12.9125 -12.7468 -12.7468 -12.7017 -12.7017 -5.9738 -5.9738 7.1744 7.1744 7.3514 7.3514 7.4146 7.4146 19.7242 19.7242 19.7476 19.7476 20.0777 20.0777 23.4235 23.4235 k = 0.1719 0.1719 0.1719 ( 1466 PWs) bands (ev): -40.8071 -40.8071 -12.9162 -12.9162 -12.7504 -12.7504 -12.7045 -12.7045 -5.9240 -5.9240 7.1150 7.1150 7.2912 7.2912 7.3543 7.3543 19.8594 19.8594 19.8840 19.8840 20.1435 20.1435 23.2807 23.2807 k = 0.1771 0.1771 0.1771 ( 1460 PWs) bands (ev): -40.8061 -40.8061 -12.9197 -12.9197 -12.7538 -12.7538 -12.7074 -12.7074 -5.8737 -5.8737 7.0569 7.0569 7.2315 7.2315 7.2943 7.2943 19.9879 19.9879 20.0139 20.0139 20.1967 20.1967 23.1476 23.1476 k = 0.1823 0.1823 0.1823 ( 1460 PWs) bands (ev): -40.8050 -40.8050 -12.9233 -12.9233 -12.7573 -12.7573 -12.7103 -12.7103 -5.8229 -5.8229 7.0000 7.0000 7.1723 7.1723 7.2347 7.2347 20.1067 20.1067 20.1348 20.1348 20.2363 20.2363 23.0266 23.0266 k = 0.1875 0.1875 0.1875 ( 1457 PWs) bands (ev): -40.8040 -40.8040 -12.9267 -12.9267 -12.7606 -12.7606 -12.7132 -12.7132 -5.7716 -5.7716 6.9445 6.9445 7.1137 7.1137 7.1756 7.1756 20.2086 20.2086 20.2434 20.2434 20.2652 20.2652 22.9210 22.9210 k = 0.1927 0.1927 0.1927 ( 1463 PWs) bands (ev): -40.8029 -40.8029 -12.9302 -12.9302 -12.7640 -12.7640 -12.7162 -12.7162 -5.7200 -5.7200 6.8903 6.8903 7.0558 7.0558 7.1171 7.1171 20.2539 20.2539 20.3186 20.3186 20.3359 20.3359 22.8347 22.8349 k = 0.1979 0.1979 0.1979 ( 1475 PWs) bands (ev): -40.8019 -40.8019 -12.9336 -12.9336 -12.7674 -12.7674 -12.7193 -12.7193 -5.6681 -5.6681 6.8374 6.8374 6.9985 6.9985 7.0592 7.0592 20.2484 20.2484 20.3861 20.3861 20.4082 20.4082 22.7718 22.7718 k = 0.2031 0.2031 0.2031 ( 1469 PWs) bands (ev): -40.8008 -40.8008 -12.9366 -12.9366 -12.7704 -12.7704 -12.7223 -12.7223 -5.6159 -5.6159 6.7860 6.7860 6.9420 6.9420 7.0019 7.0019 20.2230 20.2230 20.4331 20.4331 20.4561 20.4561 22.7363 22.7363 k = 0.2083 0.2083 0.2083 ( 1469 PWs) bands (ev): -40.7997 -40.7997 -12.9397 -12.9397 -12.7735 -12.7735 -12.7253 -12.7253 -5.5634 -5.5634 6.7360 6.7360 6.8863 6.8863 6.9452 6.9452 20.1812 20.1812 20.4540 20.4540 20.4770 20.4770 22.7310 22.7310 k = 0.2135 0.2135 0.2135 ( 1469 PWs) bands (ev): -40.7986 -40.7986 -12.9426 -12.9426 -12.7765 -12.7765 -12.7284 -12.7284 -5.5107 -5.5107 6.6873 6.6873 6.8315 6.8315 6.8893 6.8893 20.1246 20.1246 20.4475 20.4475 20.4698 20.4698 22.7569 22.7569 k = 0.2188 0.2187 0.2187 ( 1457 PWs) bands (ev): -40.7974 -40.7974 -12.9452 -12.9452 -12.7792 -12.7792 -12.7313 -12.7313 -5.4579 -5.4579 6.6400 6.6400 6.7777 6.7777 6.8342 6.8342 20.0547 20.0547 20.4146 20.4146 20.4361 20.4361 22.8126 22.8126 k = 0.2240 0.2240 0.2240 ( 1457 PWs) bands (ev): -40.7963 -40.7963 -12.9479 -12.9479 -12.7820 -12.7820 -12.7343 -12.7343 -5.4049 -5.4049 6.5940 6.5940 6.7248 6.7248 6.7798 6.7798 19.9729 19.9729 20.3586 20.3586 20.3791 20.3791 22.8951 22.8951 k = 0.2292 0.2292 0.2292 ( 1457 PWs) bands (ev): -40.7952 -40.7952 -12.9505 -12.9505 -12.7848 -12.7848 -12.7374 -12.7374 -5.3519 -5.3519 6.5492 6.5492 6.6731 6.6731 6.7262 6.7262 19.8811 19.8811 20.2834 20.2834 20.3029 20.3029 23.0002 23.0002 k = 0.2344 0.2344 0.2344 ( 1463 PWs) bands (ev): -40.7941 -40.7941 -12.9530 -12.9530 -12.7875 -12.7875 -12.7404 -12.7404 -5.2988 -5.2988 6.5055 6.5055 6.6225 6.6225 6.6734 6.6734 19.7807 19.7807 20.1930 20.1930 20.2116 20.2116 23.1239 23.1239 k = 0.2396 0.2396 0.2396 ( 1463 PWs) bands (ev): -40.7930 -40.7930 -12.9554 -12.9554 -12.7900 -12.7900 -12.7435 -12.7435 -5.2456 -5.2456 6.4628 6.4628 6.5733 6.5733 6.6215 6.6215 19.6733 19.6733 20.0912 20.0912 20.1091 20.1091 23.2624 23.2624 k = 0.2448 0.2448 0.2448 ( 1457 PWs) bands (ev): -40.7919 -40.7919 -12.9575 -12.9575 -12.7923 -12.7923 -12.7464 -12.7464 -5.1925 -5.1925 6.4209 6.4209 6.5255 6.5255 6.5705 6.5705 19.5602 19.5602 19.9811 19.9811 19.9983 19.9983 23.4127 23.4128 k = 0.2500 0.2500 0.2500 ( 1457 PWs) bands (ev): -40.7907 -40.7907 -12.9597 -12.9597 -12.7947 -12.7947 -12.7494 -12.7494 -5.1395 -5.1395 6.3796 6.3796 6.4793 6.4793 6.5203 6.5203 19.4426 19.4426 19.8650 19.8650 19.8816 19.8816 23.5723 23.5723 k = 0.2552 0.2552 0.2552 ( 1457 PWs) bands (ev): -40.7896 -40.7896 -12.9617 -12.9617 -12.7969 -12.7969 -12.7524 -12.7524 -5.0865 -5.0865 6.3388 6.3388 6.4348 6.4348 6.4710 6.4710 19.3217 19.3217 19.7447 19.7447 19.7609 19.7609 23.7393 23.7393 k = 0.2604 0.2604 0.2604 ( 1457 PWs) bands (ev): -40.7885 -40.7885 -12.9637 -12.9637 -12.7991 -12.7991 -12.7554 -12.7554 -5.0336 -5.0336 6.2982 6.2982 6.3922 6.3922 6.4227 6.4227 19.1983 19.1983 19.6219 19.6219 19.6377 19.6377 23.9122 23.9122 k = 0.2656 0.2656 0.2656 ( 1457 PWs) bands (ev): -40.7874 -40.7874 -12.9656 -12.9656 -12.8011 -12.8011 -12.7583 -12.7583 -4.9808 -4.9808 6.2578 6.2578 6.3516 6.3516 6.3753 6.3753 19.0734 19.0734 19.4975 19.4975 19.5130 19.5130 24.0898 24.0898 k = 0.2708 0.2708 0.2708 ( 1454 PWs) bands (ev): -40.7863 -40.7863 -12.9673 -12.9673 -12.8031 -12.8031 -12.7612 -12.7612 -4.9281 -4.9281 6.2174 6.2174 6.3129 6.3129 6.3288 6.3288 18.9478 18.9478 19.3724 19.3724 19.3878 19.3878 24.2713 24.2713 k = 0.2760 0.2760 0.2760 ( 1454 PWs) bands (ev): -40.7852 -40.7852 -12.9690 -12.9690 -12.8049 -12.8049 -12.7641 -12.7641 -4.8756 -4.8756 6.1770 6.1770 6.2761 6.2761 6.2833 6.2833 18.8220 18.8220 19.2474 19.2474 19.2626 19.2626 24.4558 24.4558 k = 0.2812 0.2812 0.2812 ( 1460 PWs) bands (ev): -40.7842 -40.7842 -12.9708 -12.9708 -12.8068 -12.8068 -12.7669 -12.7669 -4.8232 -4.8232 6.1368 6.1368 6.2388 6.2388 6.2410 6.2410 18.6966 18.6966 19.1230 19.1230 19.1380 19.1380 24.6428 24.6428 k = 0.2865 0.2865 0.2865 ( 1460 PWs) bands (ev): -40.7831 -40.7831 -12.9723 -12.9723 -12.8085 -12.8085 -12.7697 -12.7697 -4.7711 -4.7711 6.0968 6.0968 6.1952 6.1952 6.2075 6.2075 18.5722 18.5722 18.9996 18.9996 19.0144 19.0144 24.8318 24.8318 k = 0.2917 0.2917 0.2917 ( 1457 PWs) bands (ev): -40.7820 -40.7820 -12.9738 -12.9738 -12.8100 -12.8100 -12.7725 -12.7725 -4.7192 -4.7192 6.0571 6.0571 6.1526 6.1526 6.1754 6.1754 18.4493 18.4493 18.8776 18.8776 18.8923 18.8923 25.0225 25.0225 k = 0.2969 0.2969 0.2969 ( 1469 PWs) bands (ev): -40.7810 -40.7810 -12.9754 -12.9754 -12.8117 -12.8117 -12.7753 -12.7753 -4.6675 -4.6675 6.0179 6.0179 6.1110 6.1110 6.1443 6.1443 18.3283 18.3283 18.7572 18.7572 18.7718 18.7718 25.2143 25.2143 k = 0.3021 0.3021 0.3021 ( 1469 PWs) bands (ev): -40.7800 -40.7800 -12.9768 -12.9768 -12.8131 -12.8131 -12.7780 -12.7780 -4.6161 -4.6161 5.9793 5.9793 6.0704 6.0704 6.1142 6.1142 18.2096 18.2096 18.6387 18.6387 18.6533 18.6533 25.4072 25.4072 k = 0.3073 0.3073 0.3073 ( 1463 PWs) bands (ev): -40.7789 -40.7789 -12.9781 -12.9781 -12.8143 -12.8143 -12.7805 -12.7805 -4.5650 -4.5650 5.9414 5.9414 6.0308 6.0308 6.0849 6.0849 18.0934 18.0934 18.5223 18.5223 18.5368 18.5368 25.6009 25.6009 k = 0.3125 0.3125 0.3125 ( 1463 PWs) bands (ev): -40.7779 -40.7779 -12.9794 -12.9794 -12.8156 -12.8156 -12.7831 -12.7831 -4.5142 -4.5142 5.9042 5.9042 5.9922 5.9922 6.0562 6.0562 17.9801 17.9801 18.4081 18.4081 18.4226 18.4226 25.7951 25.7951 k = 0.3177 0.3177 0.3177 ( 1463 PWs) bands (ev): -40.7769 -40.7769 -12.9807 -12.9807 -12.8168 -12.8168 -12.7856 -12.7856 -4.4637 -4.4637 5.8677 5.8677 5.9546 5.9546 6.0281 6.0281 17.8700 17.8700 18.2963 18.2963 18.3108 18.3108 25.9896 25.9896 k = 0.3229 0.3229 0.3229 ( 1463 PWs) bands (ev): -40.7759 -40.7759 -12.9820 -12.9820 -12.8179 -12.8179 -12.7881 -12.7881 -4.4136 -4.4136 5.8321 5.8321 5.9180 5.9180 6.0003 6.0003 17.7632 17.7632 18.1870 18.1870 18.2015 18.2015 26.1843 26.1843 k = 0.3281 0.3281 0.3281 ( 1463 PWs) bands (ev): -40.7750 -40.7750 -12.9832 -12.9832 -12.8189 -12.8189 -12.7905 -12.7905 -4.3639 -4.3639 5.7974 5.7974 5.8824 5.8824 5.9727 5.9727 17.6600 17.6600 18.0803 18.0803 18.0949 18.0949 26.3791 26.3791 k = 0.3333 0.3333 0.3333 ( 1463 PWs) bands (ev): -40.7740 -40.7740 -12.9844 -12.9844 -12.8199 -12.8199 -12.7929 -12.7929 -4.3147 -4.3147 5.7635 5.7635 5.8479 5.8479 5.9454 5.9454 17.5605 17.5605 17.9764 17.9764 17.9909 17.9909 26.5738 26.5738 k = 0.3385 0.3385 0.3385 ( 1463 PWs) bands (ev): -40.7731 -40.7731 -12.9856 -12.9856 -12.8208 -12.8208 -12.7952 -12.7952 -4.2659 -4.2659 5.7306 5.7306 5.8144 5.8144 5.9182 5.9182 17.4650 17.4650 17.8752 17.8752 17.8897 17.8897 26.7683 26.7683 k = 0.3438 0.3437 0.3437 ( 1463 PWs) bands (ev): -40.7722 -40.7722 -12.9867 -12.9867 -12.8216 -12.8216 -12.7974 -12.7974 -4.2176 -4.2176 5.6986 5.6986 5.7819 5.7819 5.8910 5.8910 17.3734 17.3734 17.7768 17.7768 17.7914 17.7914 26.9625 26.9625 k = 0.3490 0.3490 0.3490 ( 1463 PWs) bands (ev): -40.7713 -40.7713 -12.9878 -12.9878 -12.8224 -12.8224 -12.7996 -12.7996 -4.1699 -4.1699 5.6675 5.6675 5.7504 5.7504 5.8639 5.8639 17.2859 17.2859 17.6814 17.6814 17.6959 17.6959 27.1563 27.1563 k = 0.3542 0.3542 0.3542 ( 1463 PWs) bands (ev): -40.7705 -40.7705 -12.9889 -12.9889 -12.8231 -12.8231 -12.8017 -12.8017 -4.1227 -4.1227 5.6374 5.6374 5.7200 5.7200 5.8367 5.8367 17.2027 17.2027 17.5889 17.5889 17.6035 17.6035 27.3496 27.3496 k = 0.3594 0.3594 0.3594 ( 1460 PWs) bands (ev): -40.7696 -40.7696 -12.9899 -12.9899 -12.8237 -12.8237 -12.8037 -12.8037 -4.0762 -4.0762 5.6082 5.6082 5.6906 5.6906 5.8095 5.8095 17.1237 17.1237 17.4993 17.4993 17.5140 17.5140 27.5423 27.5423 k = 0.3646 0.3646 0.3646 ( 1460 PWs) bands (ev): -40.7688 -40.7688 -12.9909 -12.9909 -12.8243 -12.8243 -12.8057 -12.8057 -4.0304 -4.0304 5.5800 5.5800 5.6623 5.6623 5.7822 5.7822 17.0489 17.0489 17.4129 17.4129 17.4275 17.4275 27.7344 27.7344 k = 0.3698 0.3698 0.3698 ( 1460 PWs) bands (ev): -40.7680 -40.7680 -12.9919 -12.9919 -12.8249 -12.8249 -12.8076 -12.8076 -3.9854 -3.9854 5.5528 5.5528 5.6350 5.6350 5.7549 5.7549 16.9784 16.9784 17.3295 17.3295 17.3442 17.3442 27.9258 27.9258 k = 0.3750 0.3750 0.3750 ( 1457 PWs) bands (ev): -40.7673 -40.7673 -12.9929 -12.9929 -12.8254 -12.8254 -12.8095 -12.8095 -3.9412 -3.9412 5.5266 5.5266 5.6087 5.6087 5.7276 5.7276 16.9121 16.9121 17.2492 17.2492 17.2639 17.2639 28.1164 28.1164 k = 0.3802 0.3802 0.3802 ( 1460 PWs) bands (ev): -40.7665 -40.7665 -12.9939 -12.9939 -12.8260 -12.8260 -12.8112 -12.8112 -3.8979 -3.8979 5.5013 5.5013 5.5835 5.5835 5.7003 5.7003 16.8501 16.8501 17.1720 17.1720 17.1868 17.1868 28.3062 28.3062 k = 0.3854 0.3854 0.3854 ( 1460 PWs) bands (ev): -40.7658 -40.7658 -12.9948 -12.9948 -12.8265 -12.8265 -12.8129 -12.8129 -3.8555 -3.8555 5.4770 5.4770 5.5594 5.5594 5.6730 5.6730 16.7922 16.7922 17.0980 17.0980 17.1128 17.1128 28.4951 28.4951 k = 0.3906 0.3906 0.3906 ( 1460 PWs) bands (ev): -40.7651 -40.7651 -12.9957 -12.9957 -12.8270 -12.8270 -12.8146 -12.8146 -3.8141 -3.8141 5.4537 5.4537 5.5363 5.5363 5.6459 5.6459 16.7383 16.7383 17.0272 17.0272 17.0420 17.0420 28.6830 28.6830 k = 0.3958 0.3958 0.3958 ( 1460 PWs) bands (ev): -40.7645 -40.7645 -12.9966 -12.9966 -12.8274 -12.8274 -12.8161 -12.8161 -3.7739 -3.7739 5.4313 5.4313 5.5142 5.5142 5.6191 5.6191 16.6885 16.6885 16.9596 16.9596 16.9745 16.9745 28.7269 28.7269 k = 0.4010 0.4010 0.4010 ( 1460 PWs) bands (ev): -40.7639 -40.7639 -12.9974 -12.9974 -12.8278 -12.8278 -12.8176 -12.8176 -3.7349 -3.7349 5.4099 5.4099 5.4933 5.4933 5.5925 5.5925 16.6425 16.6425 16.8952 16.8952 16.9101 16.9101 28.5924 28.5924 k = 0.4062 0.4062 0.4062 ( 1460 PWs) bands (ev): -40.7633 -40.7633 -12.9982 -12.9982 -12.8282 -12.8282 -12.8190 -12.8190 -3.6971 -3.6971 5.3895 5.3895 5.4733 5.4733 5.5664 5.5664 16.6002 16.6002 16.8341 16.8341 16.8489 16.8489 28.4635 28.4635 k = 0.4115 0.4115 0.4115 ( 1472 PWs) bands (ev): -40.7627 -40.7627 -12.9991 -12.9991 -12.8286 -12.8286 -12.8205 -12.8205 -3.6607 -3.6607 5.3701 5.3701 5.4545 5.4545 5.5408 5.5408 16.5616 16.5616 16.7762 16.7762 16.7910 16.7910 28.3401 28.3401 k = 0.4167 0.4167 0.4167 ( 1472 PWs) bands (ev): -40.7622 -40.7622 -12.9999 -12.9999 -12.8290 -12.8290 -12.8218 -12.8218 -3.6257 -3.6257 5.3516 5.3516 5.4367 5.4367 5.5159 5.5159 16.5263 16.5263 16.7215 16.7215 16.7364 16.7364 28.2226 28.2226 k = 0.4219 0.4219 0.4219 ( 1466 PWs) bands (ev): -40.7617 -40.7617 -13.0005 -13.0005 -12.8292 -12.8292 -12.8229 -12.8229 -3.5922 -3.5922 5.3341 5.3341 5.4199 5.4199 5.4917 5.4917 16.4944 16.4944 16.6702 16.6702 16.6850 16.6850 28.1112 28.1112 k = 0.4271 0.4271 0.4271 ( 1466 PWs) bands (ev): -40.7612 -40.7612 -13.0012 -13.0012 -12.8295 -12.8295 -12.8240 -12.8240 -3.5604 -3.5604 5.3175 5.3175 5.4043 5.4043 5.4685 5.4685 16.4656 16.4656 16.6221 16.6221 16.6369 16.6369 28.0059 28.0059 k = 0.4323 0.4323 0.4323 ( 1466 PWs) bands (ev): -40.7607 -40.7607 -13.0018 -13.0018 -12.8298 -12.8298 -12.8251 -12.8251 -3.5303 -3.5303 5.3018 5.3018 5.3897 5.3897 5.4463 5.4463 16.4397 16.4397 16.5774 16.5774 16.5921 16.5921 27.9070 27.9070 k = 0.4375 0.4375 0.4375 ( 1460 PWs) bands (ev): -40.7603 -40.7603 -13.0023 -13.0023 -12.8300 -12.8300 -12.8260 -12.8260 -3.5020 -3.5020 5.2871 5.2871 5.3762 5.3762 5.4253 5.4253 16.4166 16.4166 16.5360 16.5360 16.5506 16.5506 27.8146 27.8146 k = 0.4427 0.4427 0.4427 ( 1466 PWs) bands (ev): -40.7599 -40.7599 -13.0029 -13.0029 -12.8303 -12.8303 -12.8269 -12.8269 -3.4756 -3.4756 5.2734 5.2734 5.3637 5.3637 5.4056 5.4056 16.3961 16.3961 16.4979 16.4979 16.5124 16.5124 27.7289 27.7289 k = 0.4479 0.4479 0.4479 ( 1454 PWs) bands (ev): -40.7595 -40.7595 -13.0033 -13.0033 -12.8303 -12.8303 -12.8277 -12.8277 -3.4511 -3.4511 5.2606 5.2606 5.3523 5.3523 5.3873 5.3873 16.3779 16.3779 16.4632 16.4632 16.4775 16.4775 27.6501 27.6501 k = 0.4531 0.4531 0.4531 ( 1460 PWs) bands (ev): -40.7592 -40.7592 -13.0038 -13.0038 -12.8305 -12.8305 -12.8285 -12.8285 -3.4287 -3.4287 5.2488 5.2488 5.3420 5.3420 5.3706 5.3706 16.3620 16.3620 16.4319 16.4319 16.4459 16.4459 27.5782 27.5782 k = 0.4583 0.4583 0.4583 ( 1466 PWs) bands (ev): -40.7590 -40.7590 -13.0043 -13.0043 -12.8308 -12.8308 -12.8292 -12.8292 -3.4084 -3.4084 5.2380 5.2380 5.3328 5.3328 5.3555 5.3555 16.3480 16.3480 16.4040 16.4040 16.4176 16.4176 27.5135 27.5135 k = 0.4635 0.4635 0.4635 ( 1466 PWs) bands (ev): -40.7587 -40.7587 -13.0047 -13.0047 -12.8310 -12.8310 -12.8297 -12.8297 -3.3903 -3.3903 5.2283 5.2283 5.3247 5.3247 5.3421 5.3421 16.3358 16.3358 16.3797 16.3797 16.3926 16.3926 27.4561 27.4561 k = 0.4688 0.4687 0.4687 ( 1472 PWs) bands (ev): -40.7585 -40.7585 -13.0050 -13.0050 -12.8313 -12.8313 -12.8303 -12.8303 -3.3745 -3.3745 5.2196 5.2196 5.3177 5.3177 5.3304 5.3304 16.3250 16.3250 16.3591 16.3591 16.3710 16.3710 27.4061 27.4061 k = 0.4740 0.4740 0.4740 ( 1472 PWs) bands (ev): -40.7583 -40.7583 -13.0053 -13.0053 -12.8314 -12.8314 -12.8307 -12.8307 -3.3611 -3.3611 5.2122 5.2122 5.3117 5.3117 5.3205 5.3205 16.3154 16.3154 16.3423 16.3423 16.3526 16.3526 27.3636 27.3636 k = 0.4792 0.4792 0.4792 ( 1472 PWs) bands (ev): -40.7582 -40.7582 -13.0055 -13.0055 -12.8315 -12.8315 -12.8310 -12.8310 -3.3499 -3.3499 5.2059 5.2059 5.3068 5.3068 5.3124 5.3124 16.3067 16.3067 16.3296 16.3296 16.3377 16.3377 27.3287 27.3287 k = 0.4844 0.4844 0.4844 ( 1472 PWs) bands (ev): -40.7581 -40.7581 -13.0057 -13.0057 -12.8315 -12.8315 -12.8313 -12.8313 -3.3413 -3.3413 5.2010 5.2010 5.3030 5.3030 5.3062 5.3062 16.2990 16.2990 16.3208 16.3208 16.3260 16.3260 27.3015 27.3015 k = 0.4896 0.4896 0.4896 ( 1472 PWs) bands (ev): -40.7580 -40.7580 -13.0058 -13.0058 -12.8316 -12.8316 -12.8315 -12.8315 -3.3350 -3.3350 5.1975 5.1975 5.3003 5.3003 5.3017 5.3017 16.2929 16.2929 16.3151 16.3151 16.3177 16.3177 27.2820 27.2820 k = 0.4948 0.4948 0.4948 ( 1472 PWs) bands (ev): -40.7579 -40.7579 -13.0059 -13.0059 -12.8316 -12.8316 -12.8316 -12.8316 -3.3313 -3.3313 5.1953 5.1953 5.2987 5.2987 5.2990 5.2990 16.2890 16.2890 16.3120 16.3120 16.3127 16.3127 27.2702 27.2702 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): -40.7579 -40.7579 -13.0059 -13.0059 -12.8316 -12.8316 -12.8316 -12.8316 -3.3300 -3.3300 5.1946 5.1946 5.2981 5.2981 5.2981 5.2981 16.2877 16.2877 16.3110 16.3110 16.3110 16.3110 27.2663 27.2663 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): -40.7579 -40.7579 -13.0059 -13.0059 -12.8316 -12.8316 -12.8316 -12.8316 -3.3300 -3.3300 5.1946 5.1946 5.2981 5.2981 5.2981 5.2981 16.2877 16.2877 16.3110 16.3110 16.3110 16.3110 27.2663 27.2663 k = 0.4936 0.5000 0.4936 ( 1472 PWs) bands (ev): -40.7579 -40.7579 -13.0059 -13.0059 -12.8317 -12.8317 -12.8316 -12.8316 -3.3313 -3.3313 5.1953 5.1953 5.2982 5.2982 5.2995 5.2995 16.2890 16.2890 16.3115 16.3115 16.3133 16.3133 27.2703 27.2703 k = 0.4872 0.5000 0.4872 ( 1472 PWs) bands (ev): -40.7580 -40.7580 -13.0058 -13.0058 -12.8317 -12.8317 -12.8314 -12.8314 -3.3351 -3.3351 5.1974 5.1974 5.2985 5.2985 5.3036 5.3036 16.2922 16.2922 16.3132 16.3132 16.3205 16.3205 27.2821 27.2821 k = 0.4808 0.5000 0.4808 ( 1472 PWs) bands (ev): -40.7581 -40.7581 -13.0057 -13.0057 -12.8318 -12.8318 -12.8310 -12.8310 -3.3414 -3.3414 5.2005 5.2005 5.2993 5.2993 5.3106 5.3106 16.2959 16.2959 16.3166 16.3166 16.3337 16.3337 27.3018 27.3018 k = 0.4744 0.5000 0.4744 ( 1472 PWs) bands (ev): -40.7582 -40.7582 -13.0055 -13.0055 -12.8320 -12.8320 -12.8305 -12.8305 -3.3501 -3.3501 5.2040 5.2040 5.3012 5.3012 5.3204 5.3204 16.2990 16.2990 16.3224 16.3224 16.3533 16.3533 27.3293 27.3293 k = 0.4679 0.5000 0.4679 ( 1472 PWs) bands (ev): -40.7583 -40.7583 -13.0053 -13.0053 -12.8321 -12.8321 -12.8299 -12.8299 -3.3613 -3.3613 5.2072 5.2072 5.3047 5.3047 5.3331 5.3331 16.3013 16.3013 16.3308 16.3308 16.3793 16.3793 27.3645 27.3645 k = 0.4615 0.5000 0.4615 ( 1472 PWs) bands (ev): -40.7585 -40.7585 -13.0051 -13.0051 -12.8323 -12.8323 -12.8291 -12.8291 -3.3749 -3.3749 5.2091 5.2091 5.3107 5.3107 5.3487 5.3487 16.3033 16.3033 16.3416 16.3416 16.4114 16.4114 27.4074 27.4074 k = 0.4551 0.5000 0.4551 ( 1472 PWs) bands (ev): -40.7587 -40.7587 -13.0048 -13.0048 -12.8326 -12.8326 -12.8282 -12.8282 -3.3908 -3.3908 5.2090 5.2090 5.3199 5.3199 5.3673 5.3673 16.3053 16.3053 16.3548 16.3548 16.4497 16.4497 27.4578 27.4578 k = 0.4487 0.5000 0.4487 ( 1460 PWs) bands (ev): -40.7590 -40.7590 -13.0043 -13.0043 -12.8327 -12.8327 -12.8270 -12.8270 -3.4089 -3.4089 5.2064 5.2064 5.3326 5.3326 5.3889 5.3889 16.3076 16.3076 16.3702 16.3702 16.4939 16.4939 27.5157 27.5157 k = 0.4423 0.5000 0.4423 ( 1460 PWs) bands (ev): -40.7592 -40.7592 -13.0039 -13.0039 -12.8330 -12.8330 -12.8258 -12.8258 -3.4292 -3.4292 5.2013 5.2013 5.3487 5.3487 5.4136 5.4136 16.3105 16.3105 16.3878 16.3878 16.5440 16.5440 27.5809 27.5809 k = 0.4359 0.5000 0.4359 ( 1460 PWs) bands (ev): -40.7596 -40.7596 -13.0035 -13.0035 -12.8333 -12.8333 -12.8245 -12.8245 -3.4516 -3.4516 5.1940 5.1940 5.3678 5.3678 5.4412 5.4412 16.3140 16.3140 16.4075 16.4075 16.6000 16.6000 27.6533 27.6533 k = 0.4295 0.5000 0.4295 ( 1456 PWs) bands (ev): -40.7599 -40.7599 -13.0031 -13.0031 -12.8336 -12.8336 -12.8230 -12.8230 -3.4760 -3.4760 5.1846 5.1846 5.3898 5.3898 5.4717 5.4717 16.3186 16.3186 16.4293 16.4293 16.6618 16.6618 27.7327 27.7327 k = 0.4231 0.5000 0.4231 ( 1460 PWs) bands (ev): -40.7603 -40.7603 -13.0027 -13.0027 -12.8340 -12.8340 -12.8215 -12.8215 -3.5022 -3.5022 5.1734 5.1734 5.4143 5.4143 5.5051 5.5051 16.3242 16.3242 16.4532 16.4532 16.7294 16.7294 27.8189 27.8189 k = 0.4167 0.5000 0.4167 ( 1460 PWs) bands (ev): -40.7607 -40.7607 -13.0023 -13.0023 -12.8343 -12.8343 -12.8197 -12.8197 -3.5303 -3.5303 5.1605 5.1605 5.4412 5.4412 5.5413 5.5413 16.3311 16.3311 16.4793 16.4793 16.8027 16.8027 27.9117 27.9117 k = 0.4103 0.5000 0.4103 ( 1460 PWs) bands (ev): -40.7612 -40.7612 -13.0019 -13.0019 -12.8347 -12.8347 -12.8179 -12.8179 -3.5600 -3.5600 5.1460 5.1460 5.4703 5.4703 5.5802 5.5802 16.3395 16.3395 16.5075 16.5075 16.8817 16.8817 28.0111 28.0111 k = 0.4038 0.5000 0.4038 ( 1460 PWs) bands (ev): -40.7616 -40.7616 -13.0015 -13.0015 -12.8351 -12.8351 -12.8159 -12.8159 -3.5913 -3.5913 5.1299 5.1299 5.5016 5.5016 5.6216 5.6216 16.3495 16.3495 16.5378 16.5378 16.9664 16.9664 28.1168 28.1168 k = 0.3974 0.5000 0.3974 ( 1460 PWs) bands (ev): -40.7621 -40.7621 -13.0011 -13.0011 -12.8354 -12.8354 -12.8137 -12.8137 -3.6240 -3.6240 5.1124 5.1124 5.5351 5.5351 5.6654 5.6654 16.3614 16.3614 16.5703 16.5703 17.0566 17.0566 28.2286 28.2286 k = 0.3910 0.5000 0.3910 ( 1460 PWs) bands (ev): -40.7627 -40.7627 -13.0008 -13.0008 -12.8358 -12.8358 -12.8114 -12.8114 -3.6581 -3.6581 5.0933 5.0933 5.5707 5.5707 5.7116 5.7116 16.3752 16.3752 16.6049 16.6049 17.1524 17.1524 28.3463 28.3463 k = 0.3846 0.5000 0.3846 ( 1460 PWs) bands (ev): -40.7632 -40.7632 -13.0005 -13.0005 -12.8361 -12.8361 -12.8090 -12.8090 -3.6934 -3.6934 5.0729 5.0729 5.6083 5.6083 5.7599 5.7599 16.3913 16.3913 16.6416 16.6416 17.2537 17.2537 28.4697 28.4697 k = 0.3782 0.5000 0.3782 ( 1472 PWs) bands (ev): -40.7638 -40.7638 -13.0004 -13.0004 -12.8365 -12.8365 -12.8066 -12.8066 -3.7298 -3.7298 5.0510 5.0510 5.6479 5.6479 5.8104 5.8104 16.4096 16.4096 16.6805 16.6805 17.3603 17.3603 28.4409 28.4409 k = 0.3718 0.5000 0.3718 ( 1472 PWs) bands (ev): -40.7644 -40.7644 -13.0003 -13.0003 -12.8367 -12.8367 -12.8039 -12.8039 -3.7672 -3.7672 5.0276 5.0276 5.6895 5.6895 5.8628 5.8628 16.4306 16.4306 16.7216 16.7216 17.4722 17.4722 28.2276 28.2276 k = 0.3654 0.5000 0.3654 ( 1464 PWs) bands (ev): -40.7651 -40.7651 -13.0001 -13.0001 -12.8367 -12.8367 -12.8011 -12.8011 -3.8054 -3.8054 5.0029 5.0029 5.7331 5.7331 5.9171 5.9171 16.4542 16.4542 16.7649 16.7649 17.5894 17.5894 28.0140 28.0140 k = 0.3590 0.5000 0.3590 ( 1464 PWs) bands (ev): -40.7657 -40.7657 -13.0002 -13.0002 -12.8368 -12.8368 -12.7981 -12.7981 -3.8445 -3.8445 4.9767 4.9767 5.7787 5.7787 5.9731 5.9731 16.4806 16.4806 16.8103 16.8103 17.7118 17.7118 27.8002 27.8002 k = 0.3526 0.5000 0.3526 ( 1464 PWs) bands (ev): -40.7664 -40.7664 -13.0003 -13.0003 -12.8367 -12.8367 -12.7951 -12.7951 -3.8841 -3.8841 4.9492 4.9492 5.8262 5.8262 6.0308 6.0308 16.5100 16.5100 16.8579 16.8579 17.8392 17.8392 27.5864 27.5864 k = 0.3462 0.5000 0.3462 ( 1476 PWs) bands (ev): -40.7671 -40.7671 -13.0007 -13.0007 -12.8367 -12.8367 -12.7921 -12.7921 -3.9243 -3.9243 4.9203 4.9203 5.8756 5.8756 6.0901 6.0901 16.5425 16.5425 16.9077 16.9077 17.9715 17.9715 27.3725 27.3725 k = 0.3397 0.5000 0.3397 ( 1474 PWs) bands (ev): -40.7678 -40.7678 -13.0011 -13.0011 -12.8365 -12.8365 -12.7888 -12.7888 -3.9650 -3.9650 4.8900 4.8900 5.9269 5.9269 6.1509 6.1509 16.5782 16.5782 16.9598 16.9598 18.1087 18.1087 27.1587 27.1587 k = 0.3333 0.5000 0.3333 ( 1478 PWs) bands (ev): -40.7686 -40.7686 -13.0018 -13.0018 -12.8362 -12.8362 -12.7854 -12.7854 -4.0059 -4.0059 4.8584 4.8584 5.9800 5.9800 6.2130 6.2130 16.6172 16.6172 17.0140 17.0140 18.2506 18.2506 26.9451 26.9451 k = 0.3269 0.5000 0.3269 ( 1474 PWs) bands (ev): -40.7693 -40.7693 -13.0025 -13.0025 -12.8356 -12.8356 -12.7819 -12.7819 -4.0471 -4.0471 4.8256 4.8256 6.0349 6.0349 6.2765 6.2765 16.6597 16.6597 17.0705 17.0705 18.3971 18.3971 26.7317 26.7317 k = 0.3205 0.5000 0.3205 ( 1474 PWs) bands (ev): -40.7701 -40.7701 -13.0034 -13.0034 -12.8349 -12.8349 -12.7783 -12.7783 -4.0885 -4.0885 4.7915 4.7915 6.0917 6.0917 6.3412 6.3412 16.7057 16.7057 17.1292 17.1292 18.5480 18.5480 26.5187 26.5187 k = 0.3141 0.5000 0.3141 ( 1476 PWs) bands (ev): -40.7709 -40.7709 -13.0046 -13.0046 -12.8342 -12.8342 -12.7747 -12.7747 -4.1299 -4.1299 4.7562 4.7562 6.1502 6.1502 6.4070 6.4070 16.7553 16.7553 17.1902 17.1902 18.7031 18.7031 26.3060 26.3060 k = 0.3077 0.5000 0.3077 ( 1468 PWs) bands (ev): -40.7717 -40.7717 -13.0058 -13.0058 -12.8331 -12.8331 -12.7708 -12.7708 -4.1713 -4.1713 4.7197 4.7197 6.2104 6.2104 6.4739 6.4739 16.8086 16.8086 17.2535 17.2535 18.8623 18.8623 26.0937 26.0937 k = 0.3013 0.5000 0.3013 ( 1464 PWs) bands (ev): -40.7725 -40.7725 -13.0072 -13.0072 -12.8319 -12.8319 -12.7669 -12.7669 -4.2125 -4.2125 4.6821 4.6821 6.2723 6.2723 6.5418 6.5418 16.8656 16.8656 17.3190 17.3190 19.0253 19.0253 25.8821 25.8821 k = 0.2949 0.5000 0.2949 ( 1468 PWs) bands (ev): -40.7734 -40.7734 -13.0090 -13.0090 -12.8306 -12.8306 -12.7630 -12.7630 -4.2536 -4.2536 4.6435 4.6435 6.3359 6.3359 6.6106 6.6106 16.9264 16.9264 17.3868 17.3868 19.1920 19.1920 25.6710 25.6710 k = 0.2885 0.5000 0.2885 ( 1468 PWs) bands (ev): -40.7742 -40.7742 -13.0110 -13.0110 -12.8291 -12.8291 -12.7590 -12.7590 -4.2944 -4.2944 4.6039 4.6039 6.4010 6.4010 6.6803 6.6803 16.9909 16.9909 17.4569 17.4569 19.3620 19.3620 25.4607 25.4607 k = 0.2821 0.5000 0.2821 ( 1468 PWs) bands (ev): -40.7751 -40.7751 -13.0132 -13.0132 -12.8274 -12.8274 -12.7549 -12.7549 -4.3348 -4.3348 4.5634 4.5634 6.4677 6.4677 6.7508 6.7508 17.0593 17.0593 17.5293 17.5293 19.5349 19.5349 25.2511 25.2511 k = 0.2756 0.5000 0.2756 ( 1468 PWs) bands (ev): -40.7759 -40.7759 -13.0156 -13.0156 -12.8255 -12.8255 -12.7507 -12.7507 -4.3749 -4.3749 4.5220 4.5220 6.5359 6.5359 6.8220 6.8220 17.1315 17.1315 17.6040 17.6040 19.7104 19.7104 25.0425 25.0425 k = 0.2692 0.5000 0.2692 ( 1468 PWs) bands (ev): -40.7768 -40.7768 -13.0182 -13.0182 -12.8235 -12.8235 -12.7465 -12.7465 -4.4145 -4.4145 4.4798 4.4798 6.6055 6.6055 6.8939 6.8939 17.2075 17.2075 17.6811 17.6811 19.8881 19.8881 24.8349 24.8349 k = 0.2628 0.5000 0.2628 ( 1472 PWs) bands (ev): -40.7777 -40.7777 -13.0210 -13.0210 -12.8213 -12.8213 -12.7423 -12.7423 -4.4535 -4.4535 4.4370 4.4370 6.6765 6.6765 6.9664 6.9664 17.2874 17.2874 17.7604 17.7604 20.0673 20.0673 24.6283 24.6283 k = 0.2564 0.5000 0.2564 ( 1472 PWs) bands (ev): -40.7785 -40.7785 -13.0240 -13.0240 -12.8189 -12.8189 -12.7380 -12.7380 -4.4920 -4.4920 4.3936 4.3936 6.7488 6.7488 7.0394 7.0394 17.3711 17.3711 17.8422 17.8422 20.2472 20.2472 24.4229 24.4229 k = 0.2500 0.5000 0.2500 ( 1472 PWs) bands (ev): -40.7794 -40.7794 -13.0272 -13.0272 -12.8164 -12.8164 -12.7336 -12.7336 -4.5299 -4.5299 4.3496 4.3496 6.8224 6.8224 7.1130 7.1130 17.4585 17.4585 17.9263 17.9263 20.4270 20.4270 24.2189 24.2189 k = 0.2436 0.5000 0.2436 ( 1472 PWs) bands (ev): -40.7803 -40.7803 -13.0306 -13.0306 -12.8137 -12.8137 -12.7292 -12.7292 -4.5671 -4.5671 4.3052 4.3052 6.8971 6.8971 7.1869 7.1869 17.5497 17.5497 18.0127 18.0127 20.6055 20.6055 24.0163 24.0163 k = 0.2372 0.5000 0.2372 ( 1468 PWs) bands (ev): -40.7812 -40.7812 -13.0342 -13.0342 -12.8107 -12.8107 -12.7248 -12.7248 -4.6036 -4.6036 4.2604 4.2604 6.9730 6.9730 7.2612 7.2612 17.6447 17.6447 18.1016 18.1016 20.7810 20.7810 23.8152 23.8152 k = 0.2308 0.5000 0.2308 ( 1468 PWs) bands (ev): -40.7820 -40.7820 -13.0379 -13.0379 -12.8078 -12.8078 -12.7204 -12.7204 -4.6393 -4.6393 4.2154 4.2154 7.0498 7.0498 7.3358 7.3358 17.7432 17.7432 18.1928 18.1928 20.9514 20.9514 23.6158 23.6158 k = 0.2244 0.5000 0.2244 ( 1468 PWs) bands (ev): -40.7829 -40.7829 -13.0417 -13.0417 -12.8047 -12.8047 -12.7159 -12.7159 -4.6743 -4.6743 4.1703 4.1703 7.1276 7.1276 7.4106 7.4106 17.8454 17.8454 18.2864 18.2864 21.1137 21.1137 23.4181 23.4181 k = 0.2179 0.5000 0.2179 ( 1472 PWs) bands (ev): -40.7838 -40.7838 -13.0458 -13.0458 -12.8015 -12.8015 -12.7115 -12.7115 -4.7084 -4.7084 4.1251 4.1251 7.2063 7.2063 7.4856 7.4856 17.9512 17.9512 18.3824 18.3824 21.2642 21.2642 23.2224 23.2224 k = 0.2115 0.5000 0.2115 ( 1472 PWs) bands (ev): -40.7847 -40.7847 -13.0499 -13.0499 -12.7982 -12.7982 -12.7071 -12.7071 -4.7417 -4.7417 4.0799 4.0799 7.2857 7.2857 7.5606 7.5606 18.0604 18.0604 18.4808 18.4808 21.3976 21.3976 23.0287 23.0287 k = 0.2051 0.5000 0.2051 ( 1464 PWs) bands (ev): -40.7855 -40.7855 -13.0540 -13.0540 -12.7947 -12.7947 -12.7025 -12.7025 -4.7741 -4.7741 4.0348 4.0348 7.3657 7.3657 7.6356 7.6356 18.1731 18.1731 18.5816 18.5816 21.5078 21.5078 22.8373 22.8373 k = 0.1987 0.5000 0.1987 ( 1472 PWs) bands (ev): -40.7864 -40.7864 -13.0584 -13.0584 -12.7914 -12.7914 -12.6982 -12.6982 -4.8056 -4.8056 3.9900 3.9900 7.4463 7.4463 7.7106 7.7106 18.2890 18.2890 18.6848 18.6848 21.5879 21.5879 22.6482 22.6482 k = 0.1923 0.5000 0.1923 ( 1472 PWs) bands (ev): -40.7872 -40.7872 -13.0627 -13.0627 -12.7879 -12.7879 -12.6939 -12.6939 -4.8362 -4.8362 3.9455 3.9455 7.5273 7.5273 7.7854 7.7854 18.4083 18.4083 18.7905 18.7905 21.6325 21.6325 22.4616 22.4616 k = 0.1859 0.5000 0.1859 ( 1468 PWs) bands (ev): -40.7880 -40.7880 -13.0670 -13.0670 -12.7844 -12.7844 -12.6895 -12.6895 -4.8658 -4.8658 3.9014 3.9014 7.6085 7.6085 7.8599 7.8599 18.5307 18.5307 18.8985 18.8985 21.6388 21.6388 22.2778 22.2778 k = 0.1795 0.5000 0.1795 ( 1468 PWs) bands (ev): -40.7888 -40.7888 -13.0715 -13.0715 -12.7808 -12.7808 -12.6852 -12.6852 -4.8945 -4.8945 3.8578 3.8578 7.6899 7.6899 7.9341 7.9341 18.6562 18.6562 19.0090 19.0090 21.6090 21.6090 22.0967 22.0967 k = 0.1731 0.5000 0.1731 ( 1468 PWs) bands (ev): -40.7896 -40.7896 -13.0760 -13.0760 -12.7772 -12.7772 -12.6809 -12.6809 -4.9222 -4.9222 3.8148 3.8148 7.7713 7.7713 8.0079 8.0079 18.7847 18.7847 19.1219 19.1219 21.5482 21.5482 21.9188 21.9188 k = 0.1667 0.5000 0.1667 ( 1458 PWs) bands (ev): -40.7904 -40.7904 -13.0804 -13.0804 -12.7735 -12.7735 -12.6766 -12.6766 -4.9489 -4.9489 3.7725 3.7725 7.8526 7.8526 8.0811 8.0811 18.9162 18.9162 19.2372 19.2372 21.4636 21.4636 21.7441 21.7441 k = 0.1603 0.5000 0.1603 ( 1458 PWs) bands (ev): -40.7911 -40.7911 -13.0848 -13.0848 -12.7700 -12.7700 -12.6725 -12.6725 -4.9747 -4.9747 3.7310 3.7310 7.9335 7.9335 8.1537 8.1537 19.0504 19.0504 19.3549 19.3549 21.3617 21.3617 21.5728 21.5728 k = 0.1538 0.5000 0.1538 ( 1458 PWs) bands (ev): -40.7919 -40.7919 -13.0893 -13.0893 -12.7664 -12.7664 -12.6684 -12.6684 -4.9994 -4.9994 3.6904 3.6904 8.0139 8.0139 8.2254 8.2254 19.1872 19.1872 19.4749 19.4749 21.2480 21.2480 21.4051 21.4051 k = 0.1474 0.5000 0.1474 ( 1458 PWs) bands (ev): -40.7926 -40.7926 -13.0937 -13.0937 -12.7629 -12.7629 -12.6644 -12.6644 -5.0231 -5.0231 3.6507 3.6507 8.0936 8.0936 8.2963 8.2963 19.3267 19.3267 19.5974 19.5974 21.1267 21.1267 21.2414 21.2414 k = 0.1410 0.5000 0.1410 ( 1458 PWs) bands (ev): -40.7933 -40.7933 -13.0980 -13.0980 -12.7595 -12.7595 -12.6605 -12.6605 -5.0458 -5.0458 3.6121 3.6121 8.1724 8.1724 8.3661 8.3661 19.4686 19.4686 19.7221 19.7221 21.0012 21.0012 21.0817 21.0817 k = 0.1346 0.5000 0.1346 ( 1452 PWs) bands (ev): -40.7940 -40.7940 -13.1023 -13.1023 -12.7560 -12.7560 -12.6567 -12.6567 -5.0675 -5.0675 3.5745 3.5745 8.2502 8.2502 8.4348 8.4348 19.6128 19.6128 19.8493 19.8493 20.8735 20.8735 20.9265 20.9265 k = 0.1282 0.5000 0.1282 ( 1452 PWs) bands (ev): -40.7946 -40.7946 -13.1064 -13.1064 -12.7527 -12.7527 -12.6530 -12.6530 -5.0882 -5.0882 3.5382 3.5382 8.3266 8.3266 8.5022 8.5022 19.7592 19.7592 19.9786 19.9786 20.7455 20.7455 20.7762 20.7762 k = 0.1218 0.5000 0.1218 ( 1456 PWs) bands (ev): -40.7953 -40.7953 -13.1105 -13.1105 -12.7496 -12.7496 -12.6495 -12.6495 -5.1079 -5.1079 3.5032 3.5032 8.4015 8.4015 8.5681 8.5681 19.9077 19.9077 20.1103 20.1103 20.6172 20.6172 20.6322 20.6322 k = 0.1154 0.5000 0.1154 ( 1456 PWs) bands (ev): -40.7959 -40.7959 -13.1145 -13.1145 -12.7465 -12.7465 -12.6460 -12.6460 -5.1265 -5.1265 3.4695 3.4695 8.4746 8.4746 8.6324 8.6324 20.0580 20.0580 20.2441 20.2441 20.4845 20.4845 20.5001 20.5001 k = 0.1090 0.5000 0.1090 ( 1456 PWs) bands (ev): -40.7965 -40.7965 -13.1183 -13.1183 -12.7435 -12.7435 -12.6427 -12.6427 -5.1441 -5.1441 3.4372 3.4372 8.5456 8.5456 8.6950 8.6950 20.2097 20.2097 20.3507 20.3507 20.3748 20.3748 20.3832 20.3832 k = 0.1026 0.5000 0.1026 ( 1462 PWs) bands (ev): -40.7970 -40.7970 -13.1221 -13.1221 -12.7407 -12.7407 -12.6396 -12.6396 -5.1607 -5.1607 3.4064 3.4064 8.6143 8.6143 8.7557 8.7557 20.2203 20.2203 20.2594 20.2594 20.3654 20.3654 20.5181 20.5181 k = 0.0962 0.5000 0.0962 ( 1462 PWs) bands (ev): -40.7976 -40.7976 -13.1256 -13.1256 -12.7380 -12.7380 -12.6365 -12.6365 -5.1763 -5.1763 3.3771 3.3771 8.6804 8.6804 8.8142 8.8142 20.0966 20.0966 20.1474 20.1474 20.5198 20.5198 20.6580 20.6580 k = 0.0897 0.5000 0.0897 ( 1458 PWs) bands (ev): -40.7981 -40.7981 -13.1290 -13.1290 -12.7353 -12.7353 -12.6336 -12.6336 -5.1908 -5.1908 3.3494 3.3494 8.7437 8.7437 8.8705 8.8705 19.9788 19.9788 20.0401 20.0401 20.6761 20.6761 20.7996 20.7996 k = 0.0833 0.5000 0.0833 ( 1456 PWs) bands (ev): -40.7985 -40.7985 -13.1321 -13.1321 -12.7328 -12.7328 -12.6309 -12.6309 -5.2043 -5.2043 3.3234 3.3234 8.8038 8.8038 8.9244 8.9244 19.8673 19.8673 19.9383 19.9383 20.8333 20.8333 20.9429 20.9429 k = 0.0769 0.5000 0.0769 ( 1456 PWs) bands (ev): -40.7990 -40.7990 -13.1351 -13.1351 -12.7305 -12.7305 -12.6283 -12.6283 -5.2168 -5.2168 3.2991 3.2991 8.8605 8.8605 8.9756 8.9756 19.7626 19.7626 19.8425 19.8425 20.9911 20.9911 21.0875 21.0875 k = 0.0705 0.5000 0.0705 ( 1456 PWs) bands (ev): -40.7994 -40.7994 -13.1379 -13.1379 -12.7283 -12.7283 -12.6260 -12.6260 -5.2283 -5.2283 3.2766 3.2766 8.9135 8.9135 9.0240 9.0240 19.6649 19.6649 19.7530 19.7530 21.1492 21.1492 21.2332 21.2332 k = 0.0641 0.5000 0.0641 ( 1456 PWs) bands (ev): -40.7997 -40.7997 -13.1405 -13.1405 -12.7263 -12.7263 -12.6238 -12.6238 -5.2388 -5.2388 3.2559 3.2559 8.9627 8.9627 9.0694 9.0694 19.5745 19.5745 19.6700 19.6700 21.3070 21.3070 21.3794 21.3794 k = 0.0577 0.5000 0.0577 ( 1456 PWs) bands (ev): -40.8001 -40.8001 -13.1429 -13.1429 -12.7245 -12.7245 -12.6218 -12.6218 -5.2483 -5.2483 3.2370 3.2370 9.0077 9.0077 9.1114 9.1114 19.4917 19.4917 19.5941 19.5941 21.4640 21.4640 21.5257 21.5257 k = 0.0513 0.5000 0.0513 ( 1452 PWs) bands (ev): -40.8004 -40.8004 -13.1450 -13.1450 -12.7228 -12.7228 -12.6199 -12.6199 -5.2568 -5.2568 3.2200 3.2200 9.0484 9.0484 9.1500 9.1500 19.4168 19.4168 19.5253 19.5253 21.6194 21.6194 21.6713 21.6713 k = 0.0449 0.5000 0.0449 ( 1452 PWs) bands (ev): -40.8006 -40.8006 -13.1469 -13.1469 -12.7214 -12.7214 -12.6183 -12.6183 -5.2642 -5.2642 3.2049 3.2049 9.0846 9.0846 9.1847 9.1847 19.3500 19.3500 19.4641 19.4641 21.7720 21.7720 21.8149 21.8149 k = 0.0385 0.5000 0.0385 ( 1448 PWs) bands (ev): -40.8008 -40.8008 -13.1486 -13.1486 -12.7200 -12.7200 -12.6168 -12.6168 -5.2707 -5.2707 3.1918 3.1918 9.1162 9.1162 9.2155 9.2155 19.2917 19.2917 19.4105 19.4105 21.9203 21.9203 21.9551 21.9551 k = 0.0321 0.5000 0.0321 ( 1450 PWs) bands (ev): -40.8011 -40.8011 -13.1500 -13.1500 -12.7190 -12.7190 -12.6156 -12.6156 -5.2762 -5.2762 3.1806 3.1806 9.1432 9.1432 9.2419 9.2419 19.2419 19.2419 19.3648 19.3648 22.0619 22.0619 22.0893 22.0893 k = 0.0256 0.5000 0.0256 ( 1450 PWs) bands (ev): -40.8012 -40.8012 -13.1512 -13.1512 -12.7181 -12.7181 -12.6147 -12.6147 -5.2806 -5.2806 3.1715 3.1715 9.1653 9.1653 9.2639 9.2639 19.2008 19.2008 19.3272 19.3272 22.1933 22.1933 22.2142 22.2142 k = 0.0192 0.5000 0.0192 ( 1462 PWs) bands (ev): -40.8014 -40.8014 -13.1522 -13.1522 -12.7176 -12.7176 -12.6140 -12.6140 -5.2841 -5.2841 3.1643 3.1643 9.1826 9.1826 9.2813 9.2813 19.1687 19.1687 19.2978 19.2978 22.3094 22.3094 22.3248 22.3248 k = 0.0128 0.5000 0.0128 ( 1462 PWs) bands (ev): -40.8015 -40.8015 -13.1529 -13.1529 -12.7171 -12.7171 -12.6135 -12.6135 -5.2866 -5.2866 3.1592 3.1592 9.1950 9.1950 9.2937 9.2937 19.1457 19.1457 19.2767 19.2767 22.4025 22.4025 22.4144 22.4144 k = 0.0064 0.5000 0.0064 ( 1462 PWs) bands (ev): -40.8015 -40.8015 -13.1532 -13.1532 -12.7168 -12.7168 -12.6132 -12.6132 -5.2881 -5.2881 3.1561 3.1561 9.2024 9.2024 9.3013 9.3013 19.1319 19.1319 19.2640 19.2640 22.4636 22.4636 22.4743 22.4743 k = 0.0000 0.5000-0.0000 ( 1462 PWs) bands (ev): -40.8015 -40.8015 -13.1534 -13.1534 -12.7167 -12.7167 -12.6131 -12.6131 -5.2886 -5.2886 3.1551 3.1551 9.2049 9.2049 9.3038 9.3038 19.1273 19.1273 19.2598 19.2598 22.4849 22.4849 22.4957 22.4957 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): -40.7791 -40.7791 -13.0385 -13.0385 -12.9066 -12.9066 -12.6274 -12.6274 -4.5385 -4.5385 4.6624 4.6624 4.7181 4.7181 10.0358 10.0358 14.4168 14.4168 20.5964 20.5964 22.5445 22.5445 22.5462 22.5462 k = 0.5000 0.5000 0.0091 ( 1484 PWs) bands (ev): -40.7791 -40.7791 -13.0384 -13.0384 -12.9066 -12.9066 -12.6274 -12.6274 -4.5377 -4.5377 4.6628 4.6628 4.7185 4.7185 10.0303 10.0303 14.4181 14.4181 20.6044 20.6044 22.5275 22.5275 22.5293 22.5293 k = 0.5000 0.5000 0.0182 ( 1480 PWs) bands (ev): -40.7790 -40.7790 -13.0382 -13.0382 -12.9063 -12.9063 -12.6279 -12.6279 -4.5353 -4.5353 4.6640 4.6640 4.7197 4.7197 10.0139 10.0139 14.4219 14.4219 20.6282 20.6282 22.4779 22.4779 22.4798 22.4798 k = 0.5000 0.5000 0.0273 ( 1480 PWs) bands (ev): -40.7789 -40.7789 -13.0380 -13.0380 -12.9060 -12.9060 -12.6289 -12.6289 -4.5313 -4.5313 4.6660 4.6660 4.7218 4.7218 9.9866 9.9866 14.4284 14.4284 20.6677 20.6677 22.3988 22.3988 22.4008 22.4008 k = 0.5000 0.5000 0.0364 ( 1472 PWs) bands (ev): -40.7788 -40.7788 -13.0375 -13.0375 -12.9055 -12.9055 -12.6302 -12.6302 -4.5258 -4.5258 4.6688 4.6688 4.7246 4.7246 9.9489 9.9489 14.4373 14.4373 20.7226 20.7226 22.2946 22.2946 22.2968 22.2968 k = 0.5000 0.5000 0.0455 ( 1472 PWs) bands (ev): -40.7786 -40.7786 -13.0371 -13.0371 -12.9049 -12.9049 -12.6319 -12.6319 -4.5187 -4.5187 4.6723 4.6723 4.7283 4.7283 9.9010 9.9010 14.4488 14.4488 20.7925 20.7925 22.1701 22.1701 22.1723 22.1723 k = 0.5000 0.5000 0.0545 ( 1472 PWs) bands (ev): -40.7784 -40.7784 -13.0366 -13.0366 -12.9043 -12.9043 -12.6340 -12.6340 -4.5101 -4.5101 4.6767 4.6767 4.7327 4.7327 9.8434 9.8434 14.4628 14.4628 20.8770 20.8770 22.0295 22.0295 22.0318 22.0318 k = 0.5000 0.5000 0.0636 ( 1472 PWs) bands (ev): -40.7782 -40.7782 -13.0360 -13.0360 -12.9035 -12.9035 -12.6364 -12.6364 -4.4999 -4.4999 4.6818 4.6818 4.7380 4.7380 9.7767 9.7767 14.4793 14.4793 20.9756 20.9756 21.8767 21.8767 21.8789 21.8789 k = 0.5000 0.5000 0.0727 ( 1472 PWs) bands (ev): -40.7780 -40.7780 -13.0353 -13.0353 -12.9026 -12.9026 -12.6392 -12.6392 -4.4882 -4.4882 4.6877 4.6877 4.7440 4.7440 9.7013 9.7013 14.4982 14.4982 21.0877 21.0877 21.7147 21.7147 21.7168 21.7168 k = 0.5000 0.5000 0.0818 ( 1480 PWs) bands (ev): -40.7777 -40.7777 -13.0346 -13.0346 -12.9017 -12.9017 -12.6425 -12.6425 -4.4750 -4.4750 4.6943 4.6943 4.7508 4.7508 9.6179 9.6179 14.5195 14.5195 21.2127 21.2127 21.5460 21.5460 21.5479 21.5479 k = 0.5000 0.5000 0.0909 ( 1468 PWs) bands (ev): -40.7773 -40.7773 -13.0336 -13.0336 -12.9005 -12.9005 -12.6457 -12.6457 -4.4603 -4.4603 4.7017 4.7017 4.7583 4.7583 9.5272 9.5272 14.5432 14.5432 21.3496 21.3496 21.3730 21.3730 21.3743 21.3743 k = 0.5000 0.5000 0.1000 ( 1468 PWs) bands (ev): -40.7770 -40.7770 -13.0327 -13.0327 -12.8993 -12.8993 -12.6494 -12.6494 -4.4441 -4.4441 4.7097 4.7097 4.7665 4.7665 9.4297 9.4297 14.5692 14.5692 21.1959 21.1959 21.1974 21.1974 21.4990 21.4990 k = 0.5000 0.5000 0.1091 ( 1468 PWs) bands (ev): -40.7766 -40.7766 -13.0317 -13.0317 -12.8980 -12.8980 -12.6535 -12.6535 -4.4266 -4.4266 4.7185 4.7185 4.7755 4.7755 9.3261 9.3261 14.5975 14.5975 21.0173 21.0173 21.0185 21.0185 21.6588 21.6588 k = 0.5000 0.5000 0.1182 ( 1468 PWs) bands (ev): -40.7762 -40.7762 -13.0307 -13.0307 -12.8966 -12.8966 -12.6578 -12.6578 -4.4076 -4.4076 4.7279 4.7279 4.7852 4.7852 9.2172 9.2172 14.6280 14.6280 20.8377 20.8377 20.8385 20.8385 21.8290 21.8290 k = 0.5000 0.5000 0.1273 ( 1468 PWs) bands (ev): -40.7758 -40.7758 -13.0295 -13.0295 -12.8951 -12.8951 -12.6624 -12.6624 -4.3873 -4.3873 4.7380 4.7380 4.7955 4.7955 9.1034 9.1034 14.6607 14.6607 20.6578 20.6578 20.6583 20.6583 22.0088 22.0088 k = 0.5000 0.5000 0.1364 ( 1452 PWs) bands (ev): -40.7753 -40.7753 -13.0282 -13.0282 -12.8934 -12.8934 -12.6671 -12.6671 -4.3656 -4.3656 4.7488 4.7488 4.8065 4.8065 8.9854 8.9854 14.6954 14.6954 20.4784 20.4784 20.4785 20.4785 22.1978 22.1978 k = 0.5000 0.5000 0.1455 ( 1460 PWs) bands (ev): -40.7749 -40.7749 -13.0270 -13.0270 -12.8917 -12.8917 -12.6724 -12.6724 -4.3427 -4.3427 4.7601 4.7601 4.8181 4.8181 8.8638 8.8638 14.7321 14.7321 20.2996 20.2996 20.3000 20.3000 22.3952 22.3952 k = 0.5000 0.5000 0.1545 ( 1460 PWs) bands (ev): -40.7744 -40.7744 -13.0257 -13.0257 -12.8900 -12.8900 -12.6777 -12.6777 -4.3185 -4.3185 4.7720 4.7720 4.8304 4.8304 8.7391 8.7391 14.7708 14.7708 20.1222 20.1222 20.1230 20.1230 22.6005 22.6005 k = 0.5000 0.5000 0.1636 ( 1460 PWs) bands (ev): -40.7739 -40.7739 -13.0245 -13.0245 -12.8882 -12.8882 -12.6832 -12.6832 -4.2931 -4.2931 4.7845 4.7845 4.8431 4.8431 8.6119 8.6119 14.8113 14.8113 19.9465 19.9465 19.9478 19.9478 22.8133 22.8133 k = 0.5000 0.5000 0.1727 ( 1460 PWs) bands (ev): -40.7734 -40.7734 -13.0231 -13.0231 -12.8864 -12.8864 -12.6888 -12.6888 -4.2666 -4.2666 4.7975 4.7975 4.8565 4.8565 8.4827 8.4827 14.8535 14.8535 19.7730 19.7730 19.7747 19.7747 23.0329 23.0329 k = 0.5000 0.5000 0.1818 ( 1460 PWs) bands (ev): -40.7728 -40.7728 -13.0218 -13.0218 -12.8845 -12.8845 -12.6946 -12.6946 -4.2390 -4.2390 4.8110 4.8110 4.8703 4.8703 8.3519 8.3519 14.8974 14.8974 19.6018 19.6018 19.6040 19.6040 23.2590 23.2590 k = 0.5000 0.5000 0.1909 ( 1460 PWs) bands (ev): -40.7723 -40.7723 -13.0205 -13.0205 -12.8825 -12.8825 -12.7005 -12.7005 -4.2104 -4.2104 4.8250 4.8250 4.8846 4.8846 8.2200 8.2200 14.9428 14.9428 19.4333 19.4333 19.4360 19.4360 23.4910 23.4910 k = 0.5000 0.5000 0.2000 ( 1468 PWs) bands (ev): -40.7717 -40.7717 -13.0192 -13.0192 -12.8806 -12.8806 -12.7067 -12.7067 -4.1808 -4.1808 4.8393 4.8393 4.8993 4.8993 8.0875 8.0875 14.9897 14.9897 19.2677 19.2677 19.2709 19.2709 23.7285 23.7285 k = 0.5000 0.5000 0.2091 ( 1460 PWs) bands (ev): -40.7711 -40.7711 -13.0178 -13.0178 -12.8785 -12.8785 -12.7126 -12.7126 -4.1504 -4.1504 4.8541 4.8541 4.9145 4.9145 7.9546 7.9546 15.0379 15.0379 19.1052 19.1052 19.1089 19.1089 23.9711 23.9711 k = 0.5000 0.5000 0.2182 ( 1460 PWs) bands (ev): -40.7705 -40.7705 -13.0165 -13.0165 -12.8764 -12.8764 -12.7187 -12.7187 -4.1191 -4.1191 4.8691 4.8691 4.9299 4.9299 7.8219 7.8219 15.0873 15.0873 18.9459 18.9459 18.9501 18.9501 24.2184 24.2184 k = 0.5000 0.5000 0.2273 ( 1460 PWs) bands (ev): -40.7700 -40.7700 -13.0152 -13.0152 -12.8743 -12.8743 -12.7249 -12.7249 -4.0870 -4.0870 4.8845 4.8845 4.9457 4.9457 7.6897 7.6897 15.1378 15.1378 18.7901 18.7901 18.7948 18.7948 24.4700 24.4700 k = 0.5000 0.5000 0.2364 ( 1460 PWs) bands (ev): -40.7694 -40.7694 -13.0140 -13.0140 -12.8722 -12.8722 -12.7310 -12.7310 -4.0543 -4.0543 4.9001 4.9001 4.9617 4.9617 7.5582 7.5582 15.1892 15.1892 18.6378 18.6378 18.6431 18.6431 24.7256 24.7256 k = 0.5000 0.5000 0.2455 ( 1460 PWs) bands (ev): -40.7688 -40.7688 -13.0128 -13.0128 -12.8701 -12.8701 -12.7372 -12.7372 -4.0211 -4.0211 4.9160 4.9160 4.9780 4.9780 7.4279 7.4279 15.2414 15.2414 18.4894 18.4894 18.4951 18.4951 24.9849 24.9849 k = 0.5000 0.5000 0.2545 ( 1452 PWs) bands (ev): -40.7681 -40.7681 -13.0115 -13.0115 -12.8678 -12.8678 -12.7432 -12.7432 -3.9873 -3.9873 4.9320 4.9320 4.9944 4.9944 7.2991 7.2991 15.2943 15.2943 18.3448 18.3448 18.3511 18.3511 25.2474 25.2474 k = 0.5000 0.5000 0.2636 ( 1452 PWs) bands (ev): -40.7675 -40.7675 -13.0104 -13.0104 -12.8657 -12.8657 -12.7492 -12.7492 -3.9532 -3.9532 4.9480 4.9480 5.0110 5.0110 7.1720 7.1720 15.3476 15.3476 18.2042 18.2042 18.2110 18.2110 25.5128 25.5128 k = 0.5000 0.5000 0.2727 ( 1452 PWs) bands (ev): -40.7669 -40.7669 -13.0093 -13.0093 -12.8635 -12.8635 -12.7551 -12.7551 -3.9187 -3.9187 4.9642 4.9642 5.0276 5.0276 7.0469 7.0469 15.4013 15.4013 18.0678 18.0678 18.0751 18.0751 25.7809 25.7809 k = 0.5000 0.5000 0.2818 ( 1452 PWs) bands (ev): -40.7663 -40.7663 -13.0084 -13.0084 -12.8614 -12.8614 -12.7609 -12.7609 -3.8841 -3.8841 4.9803 4.9803 5.0442 5.0442 6.9242 6.9242 15.4552 15.4552 17.9356 17.9356 17.9434 17.9434 26.0513 26.0513 k = 0.5000 0.5000 0.2909 ( 1456 PWs) bands (ev): -40.7658 -40.7658 -13.0075 -13.0075 -12.8594 -12.8594 -12.7667 -12.7667 -3.8494 -3.8494 4.9964 4.9964 5.0608 5.0608 6.8040 6.8040 15.5090 15.5090 17.8078 17.8078 17.8162 17.8162 26.3237 26.3237 k = 0.5000 0.5000 0.3000 ( 1456 PWs) bands (ev): -40.7652 -40.7652 -13.0067 -13.0067 -12.8573 -12.8573 -12.7721 -12.7721 -3.8148 -3.8148 5.0123 5.0123 5.0772 5.0772 6.6868 6.6868 15.5627 15.5627 17.6845 17.6845 17.6934 17.6934 26.5978 26.5978 k = 0.5000 0.5000 0.3091 ( 1456 PWs) bands (ev): -40.7646 -40.7646 -13.0060 -13.0060 -12.8553 -12.8553 -12.7774 -12.7774 -3.7803 -3.7803 5.0281 5.0281 5.0935 5.0935 6.5726 6.5726 15.6160 15.6160 17.5659 17.5659 17.5752 17.5752 26.8733 26.8733 k = 0.5000 0.5000 0.3182 ( 1456 PWs) bands (ev): -40.7640 -40.7640 -13.0054 -13.0054 -12.8533 -12.8533 -12.7825 -12.7825 -3.7462 -3.7462 5.0436 5.0436 5.1096 5.1096 6.4617 6.4617 15.6688 15.6688 17.4519 17.4519 17.4617 17.4617 27.1498 27.1498 k = 0.5000 0.5000 0.3273 ( 1456 PWs) bands (ev): -40.7635 -40.7635 -13.0048 -13.0048 -12.8514 -12.8514 -12.7874 -12.7874 -3.7124 -3.7124 5.0589 5.0589 5.1254 5.1254 6.3545 6.3545 15.7208 15.7208 17.3428 17.3428 17.3531 17.3531 27.4270 27.4270 k = 0.5000 0.5000 0.3364 ( 1456 PWs) bands (ev): -40.7630 -40.7630 -13.0044 -13.0044 -12.8495 -12.8495 -12.7921 -12.7921 -3.6792 -3.6792 5.0738 5.0738 5.1408 5.1408 6.2511 6.2511 15.7718 15.7718 17.2385 17.2385 17.2493 17.2493 27.7046 27.7046 k = 0.5000 0.5000 0.3455 ( 1472 PWs) bands (ev): -40.7625 -40.7625 -13.0043 -13.0043 -12.8480 -12.8480 -12.7966 -12.7966 -3.6467 -3.6467 5.0882 5.0882 5.1559 5.1559 6.1518 6.1518 15.8217 15.8217 17.1393 17.1393 17.1505 17.1505 27.9822 27.9822 k = 0.5000 0.5000 0.3545 ( 1472 PWs) bands (ev): -40.7620 -40.7620 -13.0040 -13.0040 -12.8462 -12.8462 -12.8007 -12.8007 -3.6150 -3.6150 5.1022 5.1022 5.1705 5.1705 6.0568 6.0568 15.8702 15.8702 17.0452 17.0452 17.0569 17.0569 28.2260 28.2260 k = 0.5000 0.5000 0.3636 ( 1472 PWs) bands (ev): -40.7616 -40.7616 -13.0039 -13.0039 -12.8446 -12.8446 -12.8046 -12.8046 -3.5843 -3.5843 5.1156 5.1156 5.1845 5.1845 5.9663 5.9663 15.9171 15.9171 16.9563 16.9563 16.9684 16.9684 28.1152 28.1152 k = 0.5000 0.5000 0.3727 ( 1464 PWs) bands (ev): -40.7611 -40.7611 -13.0037 -13.0037 -12.8429 -12.8429 -12.8081 -12.8081 -3.5548 -3.5548 5.1284 5.1284 5.1980 5.1980 5.8806 5.8806 15.9623 15.9623 16.8727 16.8727 16.8852 16.8852 28.0103 28.0103 k = 0.5000 0.5000 0.3818 ( 1464 PWs) bands (ev): -40.7607 -40.7607 -13.0037 -13.0037 -12.8414 -12.8414 -12.8115 -12.8115 -3.5264 -3.5264 5.1404 5.1404 5.2109 5.2109 5.7999 5.7999 16.0055 16.0055 16.7945 16.7945 16.8073 16.8073 27.9116 27.9116 k = 0.5000 0.5000 0.3909 ( 1472 PWs) bands (ev): -40.7603 -40.7603 -13.0039 -13.0039 -12.8401 -12.8401 -12.8147 -12.8147 -3.4995 -3.4995 5.1517 5.1517 5.2230 5.2230 5.7243 5.7243 16.0464 16.0464 16.7217 16.7217 16.7349 16.7349 27.8191 27.8191 k = 0.5000 0.5000 0.4000 ( 1464 PWs) bands (ev): -40.7599 -40.7599 -13.0040 -13.0040 -12.8388 -12.8388 -12.8173 -12.8173 -3.4741 -3.4741 5.1621 5.1621 5.2344 5.2344 5.6543 5.6543 16.0850 16.0850 16.6545 16.6545 16.6679 16.6679 27.7332 27.7332 k = 0.5000 0.5000 0.4091 ( 1456 PWs) bands (ev): -40.7595 -40.7595 -13.0041 -13.0041 -12.8375 -12.8375 -12.8197 -12.8197 -3.4504 -3.4504 5.1716 5.1716 5.2450 5.2450 5.5898 5.5898 16.1209 16.1209 16.5928 16.5928 16.6066 16.6066 27.6540 27.6540 k = 0.5000 0.5000 0.4182 ( 1456 PWs) bands (ev): -40.7592 -40.7592 -13.0043 -13.0043 -12.8364 -12.8364 -12.8220 -12.8220 -3.4285 -3.4285 5.1799 5.1799 5.2548 5.2548 5.5313 5.5313 16.1541 16.1541 16.5369 16.5369 16.5509 16.5509 27.5817 27.5817 k = 0.5000 0.5000 0.4273 ( 1464 PWs) bands (ev): -40.7590 -40.7590 -13.0046 -13.0046 -12.8355 -12.8355 -12.8241 -12.8241 -3.4086 -3.4086 5.1871 5.1871 5.2636 5.2636 5.4789 5.4789 16.1842 16.1842 16.4867 16.4867 16.5008 16.5008 27.5165 27.5165 k = 0.5000 0.5000 0.4364 ( 1464 PWs) bands (ev): -40.7587 -40.7587 -13.0048 -13.0048 -12.8346 -12.8346 -12.8259 -12.8259 -3.3906 -3.3906 5.1928 5.1928 5.2715 5.2715 5.4330 5.4330 16.2112 16.2112 16.4423 16.4423 16.4565 16.4565 27.4586 27.4586 k = 0.5000 0.5000 0.4455 ( 1472 PWs) bands (ev): -40.7585 -40.7585 -13.0051 -13.0051 -12.8338 -12.8338 -12.8276 -12.8276 -3.3749 -3.3749 5.1970 5.1970 5.2785 5.2785 5.3938 5.3938 16.2349 16.2349 16.4038 16.4038 16.4181 16.4181 27.4080 27.4080 k = 0.5000 0.5000 0.4545 ( 1472 PWs) bands (ev): -40.7583 -40.7583 -13.0054 -13.0054 -12.8332 -12.8332 -12.8288 -12.8288 -3.3614 -3.3614 5.1994 5.1994 5.2844 5.2844 5.3616 5.3616 16.2550 16.2550 16.3713 16.3713 16.3854 16.3854 27.3650 27.3650 k = 0.5000 0.5000 0.4636 ( 1472 PWs) bands (ev): -40.7582 -40.7582 -13.0055 -13.0055 -12.8326 -12.8326 -12.8298 -12.8298 -3.3502 -3.3502 5.2000 5.2000 5.2893 5.2893 5.3365 5.3365 16.2712 16.2712 16.3450 16.3450 16.3587 16.3587 27.3296 27.3296 k = 0.5000 0.5000 0.4727 ( 1472 PWs) bands (ev): -40.7581 -40.7581 -13.0057 -13.0057 -12.8322 -12.8322 -12.8306 -12.8306 -3.3414 -3.3414 5.1990 5.1990 5.2931 5.2931 5.3184 5.3184 16.2830 16.2830 16.3255 16.3255 16.3378 16.3378 27.3020 27.3020 k = 0.5000 0.5000 0.4818 ( 1472 PWs) bands (ev): -40.7580 -40.7580 -13.0058 -13.0058 -12.8319 -12.8319 -12.8312 -12.8312 -3.3351 -3.3351 5.1970 5.1970 5.2959 5.2959 5.3066 5.3066 16.2891 16.2891 16.3140 16.3140 16.3229 16.3229 27.2822 27.2822 k = 0.5000 0.5000 0.4909 ( 1472 PWs) bands (ev): -40.7579 -40.7579 -13.0059 -13.0059 -12.8317 -12.8317 -12.8315 -12.8315 -3.3313 -3.3313 5.1953 5.1953 5.2976 5.2976 5.3002 5.3002 16.2888 16.2888 16.3110 16.3110 16.3140 16.3140 27.2703 27.2703 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): -40.7579 -40.7579 -13.0059 -13.0059 -12.8316 -12.8316 -12.8316 -12.8316 -3.3300 -3.3300 5.1946 5.1946 5.2981 5.2981 5.2981 5.2981 16.2877 16.2877 16.3110 16.3110 16.3110 16.3110 27.2663 27.2663 Writing output data file NaCl.save init_run : 0.12s CPU 0.55s WALL ( 1 calls) electrons : 37.91s CPU 40.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 37.90s CPU 40.24s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 423 calls) cegterg : 35.26s CPU 36.01s WALL ( 549 calls) Called by sum_band: Called by *egterg: h_psi : 14.75s CPU 15.31s WALL ( 8357 calls) s_psi : 0.55s CPU 0.55s WALL ( 8357 calls) g_psi : 0.04s CPU 0.04s WALL ( 7385 calls) cdiaghg : 18.84s CPU 19.16s WALL ( 7808 calls) cegterg:over : 1.03s CPU 1.07s WALL ( 7385 calls) cegterg:upda : 0.86s CPU 0.85s WALL ( 7385 calls) cegterg:last : 0.44s CPU 0.41s WALL ( 1309 calls) cdiaghg:chol : 1.06s CPU 0.99s WALL ( 7808 calls) cdiaghg:inve : 0.36s CPU 0.33s WALL ( 7808 calls) cdiaghg:para : 1.23s CPU 1.27s WALL ( 15616 calls) Called by h_psi: h_psi:vloc : 13.48s CPU 13.95s WALL ( 8357 calls) h_psi:vnl : 1.24s CPU 1.33s WALL ( 8357 calls) add_vuspsi : 0.58s CPU 0.68s WALL ( 8357 calls) General routines calbec : 0.63s CPU 0.63s WALL ( 8357 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.87s CPU 13.28s WALL ( 371404 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.11s WALL ( 846 calls) Parallel routines fft_scatter : 6.78s CPU 7.09s WALL ( 371427 calls) PWSCF : 0m45.13s CPU 1m 1.19s WALL This run was terminated on: 17: 6:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=