Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:51:13 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: ./YIn.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 18 5 698 350 59 Max 29 19 6 703 363 64 Sum 1041 665 213 25269 12893 2205 bravais-lattice index = 14 lattice parameter (alat) = 7.1148 a.u. unit-cell volume = 360.1567 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.114818 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Y 11.00 88.90590 Y( 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= 325 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0030769 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0030769 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0030769 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0030769 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0030769 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030769 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0030769 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0030769 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0030769 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0030769 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0030769 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030769 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0030769 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0030769 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0030769 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0030769 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0030769 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0030769 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030769 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0030769 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0030769 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0030769 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0030769 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0030769 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0030769 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0030769 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0030769 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0030769 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0030769 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0030769 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0030769 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0030769 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0030769 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0030769 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0030769 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0030769 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0030769 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0030769 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0030769 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0030769 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0030769 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0030769 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0030769 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0030769 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0030769 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0030769 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0030769 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0030769 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0030769 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0030769 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030769 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0030769 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0030769 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0030769 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0030769 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0030769 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0030769 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030769 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0030769 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0030769 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0030769 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0030769 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0030769 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0030769 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0030769 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0030769 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0030769 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0030769 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0030769 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0030769 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0030769 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 88) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0030769 k( 89) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0030769 k( 90) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0030769 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0030769 k( 92) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0030769 k( 93) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030769 k( 94) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0030769 k( 95) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0030769 k( 96) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0030769 k( 97) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030769 k( 98) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0030769 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030769 k( 100) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0030769 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0030769 k( 102) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0030769 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030769 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030769 k( 105) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030769 k( 106) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0030769 k( 107) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030769 k( 108) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030769 k( 109) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0030769 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0030769 k( 111) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030769 k( 112) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030769 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030769 k( 114) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0030769 k( 115) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0030769 k( 116) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0030769 k( 117) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030769 k( 118) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0030769 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030769 k( 120) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0030769 k( 121) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0030769 k( 122) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0030769 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030769 k( 124) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0030769 k( 125) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0030769 k( 126) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0030769 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030769 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030769 k( 129) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0030769 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0030769 k( 131) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0030769 k( 132) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0030769 k( 133) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0030769 k( 134) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0030769 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030769 k( 136) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0030769 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030769 k( 138) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0030769 k( 139) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0030769 k( 140) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0030769 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030769 k( 142) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0030769 k( 143) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0030769 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030769 k( 145) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0030769 k( 146) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 149) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030769 k( 150) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030769 k( 151) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030769 k( 152) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030769 k( 153) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030769 k( 154) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030769 k( 155) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030769 k( 156) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030769 k( 157) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030769 k( 158) = ( 0.0684932 0.0684932 0.0684931), wk = 0.0030769 k( 159) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030769 k( 160) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030769 k( 161) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030769 k( 162) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030769 k( 163) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030769 k( 164) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030769 k( 165) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030769 k( 166) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030769 k( 167) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030769 k( 168) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030769 k( 169) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030769 k( 170) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030769 k( 171) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030769 k( 172) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030769 k( 173) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030769 k( 174) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030769 k( 175) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030769 k( 176) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030769 k( 177) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030769 k( 178) = ( 0.2054795 0.2054794 0.2054794), wk = 0.0030769 k( 179) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030769 k( 180) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030769 k( 181) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030769 k( 182) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030769 k( 183) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030769 k( 184) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030769 k( 185) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030769 k( 186) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030769 k( 187) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030769 k( 188) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030769 k( 189) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030769 k( 190) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030769 k( 191) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030769 k( 192) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030769 k( 193) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030769 k( 194) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030769 k( 195) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030769 k( 196) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030769 k( 197) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030769 k( 198) = ( 0.3424658 0.3424657 0.3424657), wk = 0.0030769 k( 199) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030769 k( 200) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030769 k( 201) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030769 k( 202) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030769 k( 203) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030769 k( 204) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030769 k( 205) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030769 k( 206) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030769 k( 207) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030769 k( 208) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030769 k( 209) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030769 k( 210) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030769 k( 211) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030769 k( 212) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030769 k( 213) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030769 k( 214) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030769 k( 215) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030769 k( 216) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030769 k( 217) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030769 k( 218) = ( 0.4794521 0.4794520 0.4794520), wk = 0.0030769 k( 219) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030769 k( 220) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030769 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 223) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030769 k( 224) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030769 k( 225) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030769 k( 226) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030769 k( 227) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030769 k( 228) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030769 k( 229) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030769 k( 230) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030769 k( 231) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030769 k( 232) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030769 k( 233) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030769 k( 234) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030769 k( 235) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030769 k( 236) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030769 k( 237) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030769 k( 238) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030769 k( 239) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030769 k( 240) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030769 k( 241) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030769 k( 242) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030769 k( 243) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030769 k( 244) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030769 k( 245) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030769 k( 246) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030769 k( 247) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030769 k( 248) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030769 k( 249) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030769 k( 250) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030769 k( 251) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030769 k( 252) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030769 k( 253) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030769 k( 254) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030769 k( 255) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030769 k( 256) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030769 k( 257) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030769 k( 258) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030769 k( 259) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030769 k( 260) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030769 k( 261) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030769 k( 262) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030769 k( 263) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030769 k( 264) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030769 k( 265) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030769 k( 266) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030769 k( 267) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030769 k( 268) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030769 k( 269) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030769 k( 270) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030769 k( 271) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030769 k( 272) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030769 k( 273) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030769 k( 274) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030769 k( 275) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030769 k( 276) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030769 k( 277) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030769 k( 278) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030769 k( 279) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030769 k( 280) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030769 k( 281) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030769 k( 282) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030769 k( 310) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0030769 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030769 k( 312) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0030769 k( 313) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030769 k( 314) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0030769 k( 315) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030769 k( 316) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0030769 k( 317) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030769 k( 318) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030769 k( 319) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030769 k( 320) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0030769 k( 321) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0030769 k( 322) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0030769 k( 323) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030769 k( 324) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0030769 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0030769 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0030769 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0030769 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0030769 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0030769 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0030769 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0030769 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0030769 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0030769 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0030769 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0030769 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0030769 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0030769 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0030769 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0030769 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0030769 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0030769 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0030769 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0030769 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0030769 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0030769 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0030769 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0030769 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0030769 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0030769 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0030769 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0030769 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0030769 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0030769 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0030769 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0030769 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0030769 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0030769 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0030769 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0030769 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0030769 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0030769 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0030769 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0030769 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0030769 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0030769 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0030769 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030769 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0030769 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0030769 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0030769 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0030769 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0030769 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0030769 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0030769 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0030769 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0030769 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0030769 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0030769 k( 70) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0030769 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0030769 k( 72) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0030769 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0030769 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0030769 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0030769 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0030769 k( 77) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0030769 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0030769 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0030769 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0030769 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0030769 k( 82) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0030769 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0030769 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0030769 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0030769 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 88) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0030769 k( 89) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0030769 k( 90) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0030769 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0030769 k( 92) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0030769 k( 93) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0030769 k( 94) = ( 0.4416667 0.4416667 0.0000000), wk = 0.0030769 k( 95) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0030769 k( 96) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0030769 k( 97) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0030769 k( 98) = ( 0.4083333 0.4083333 0.0000000), wk = 0.0030769 k( 99) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0030769 k( 100) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0030769 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0030769 k( 102) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0030769 k( 103) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0030769 k( 104) = ( 0.3583333 0.3583333 0.0000000), wk = 0.0030769 k( 105) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030769 k( 106) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0030769 k( 107) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030769 k( 108) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0030769 k( 109) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0030769 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0030769 k( 111) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0030769 k( 112) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0030769 k( 113) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0030769 k( 114) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0030769 k( 115) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0030769 k( 116) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0030769 k( 117) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030769 k( 118) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0030769 k( 119) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0030769 k( 120) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0030769 k( 121) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0030769 k( 122) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0030769 k( 123) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0030769 k( 124) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0030769 k( 125) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0030769 k( 126) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0030769 k( 127) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030769 k( 128) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0030769 k( 129) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0030769 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0030769 k( 131) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0030769 k( 132) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0030769 k( 133) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0030769 k( 134) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0030769 k( 135) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0030769 k( 136) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0030769 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030769 k( 138) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0030769 k( 139) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0030769 k( 140) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0030769 k( 141) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0030769 k( 142) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0030769 k( 143) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0030769 k( 144) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0030769 k( 145) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0030769 k( 146) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 149) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030769 k( 150) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030769 k( 151) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030769 k( 152) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030769 k( 153) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030769 k( 154) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030769 k( 155) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030769 k( 156) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030769 k( 157) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030769 k( 158) = ( 0.0684932 0.0684932 0.0684932), wk = 0.0030769 k( 159) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030769 k( 160) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030769 k( 161) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030769 k( 162) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030769 k( 163) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030769 k( 164) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030769 k( 165) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030769 k( 166) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030769 k( 167) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030769 k( 168) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030769 k( 169) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030769 k( 170) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030769 k( 171) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030769 k( 172) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030769 k( 173) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030769 k( 174) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030769 k( 175) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030769 k( 176) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030769 k( 177) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030769 k( 178) = ( 0.2054795 0.2054795 0.2054795), wk = 0.0030769 k( 179) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030769 k( 180) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030769 k( 181) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030769 k( 182) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030769 k( 183) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030769 k( 184) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030769 k( 185) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030769 k( 186) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030769 k( 187) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030769 k( 188) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030769 k( 189) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030769 k( 190) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030769 k( 191) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030769 k( 192) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030769 k( 193) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030769 k( 194) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030769 k( 195) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030769 k( 196) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030769 k( 197) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030769 k( 198) = ( 0.3424658 0.3424658 0.3424658), wk = 0.0030769 k( 199) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030769 k( 200) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030769 k( 201) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030769 k( 202) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030769 k( 203) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030769 k( 204) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030769 k( 205) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030769 k( 206) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030769 k( 207) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030769 k( 208) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030769 k( 209) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030769 k( 210) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030769 k( 211) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030769 k( 212) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030769 k( 213) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030769 k( 214) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030769 k( 215) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030769 k( 216) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030769 k( 217) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030769 k( 218) = ( 0.4794521 0.4794521 0.4794521), wk = 0.0030769 k( 219) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030769 k( 220) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030769 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 223) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030769 k( 224) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030769 k( 225) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030769 k( 226) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030769 k( 227) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030769 k( 228) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030769 k( 229) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030769 k( 230) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030769 k( 231) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030769 k( 232) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030769 k( 233) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030769 k( 234) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030769 k( 235) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030769 k( 236) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030769 k( 237) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030769 k( 238) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030769 k( 239) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030769 k( 240) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030769 k( 241) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030769 k( 242) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030769 k( 243) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030769 k( 244) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030769 k( 245) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030769 k( 246) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030769 k( 247) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030769 k( 248) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030769 k( 249) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030769 k( 250) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030769 k( 251) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030769 k( 252) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030769 k( 253) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030769 k( 254) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030769 k( 255) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030769 k( 256) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030769 k( 257) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030769 k( 258) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030769 k( 259) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030769 k( 260) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030769 k( 261) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030769 k( 262) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030769 k( 263) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030769 k( 264) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030769 k( 265) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030769 k( 266) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030769 k( 267) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030769 k( 268) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030769 k( 269) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030769 k( 270) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030769 k( 271) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030769 k( 272) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030769 k( 273) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030769 k( 274) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030769 k( 275) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030769 k( 276) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030769 k( 277) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030769 k( 278) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030769 k( 279) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030769 k( 280) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030769 k( 281) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030769 k( 282) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030769 k( 310) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0030769 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030769 k( 312) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0030769 k( 313) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030769 k( 314) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0030769 k( 315) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030769 k( 316) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0030769 k( 317) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030769 k( 318) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030769 k( 319) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030769 k( 320) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0030769 k( 321) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0030769 k( 322) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0030769 k( 323) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030769 k( 324) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 Dense grid: 25269 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12893 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 90, 32) NL pseudopotentials 0.05 Mb ( 45, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 703) G-vector shells 0.00 Mb ( 185) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 90, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./YIn.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.6 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.8 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.2 secs Computing kpt #: 19 total cpu time spent up to now is 4.3 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.8 secs Computing kpt #: 24 total cpu time spent up to now is 4.9 secs Computing kpt #: 25 total cpu time spent up to now is 5.0 secs Computing kpt #: 26 total cpu time spent up to now is 5.1 secs Computing kpt #: 27 total cpu time spent up to now is 5.2 secs Computing kpt #: 28 total cpu time spent up to now is 5.3 secs Computing kpt #: 29 total cpu time spent up to now is 5.4 secs Computing kpt #: 30 total cpu time spent up to now is 5.5 secs Computing kpt #: 31 total cpu time spent up to now is 5.6 secs Computing kpt #: 32 total cpu time spent up to now is 5.8 secs Computing kpt #: 33 total cpu time spent up to now is 5.9 secs Computing kpt #: 34 total cpu time spent up to now is 6.0 secs Computing kpt #: 35 total cpu time spent up to now is 6.1 secs Computing kpt #: 36 total cpu time spent up to now is 6.2 secs Computing kpt #: 37 total cpu time spent up to now is 6.3 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.5 secs Computing kpt #: 40 total cpu time spent up to now is 6.6 secs Computing kpt #: 41 total cpu time spent up to now is 6.7 secs Computing kpt #: 42 total cpu time spent up to now is 6.8 secs Computing kpt #: 43 total cpu time spent up to now is 6.9 secs Computing kpt #: 44 total cpu time spent up to now is 7.0 secs Computing kpt #: 45 total cpu time spent up to now is 7.1 secs Computing kpt #: 46 total cpu time spent up to now is 7.2 secs Computing kpt #: 47 total cpu time spent up to now is 7.3 secs Computing kpt #: 48 total cpu time spent up to now is 7.4 secs Computing kpt #: 49 total cpu time spent up to now is 7.5 secs Computing kpt #: 50 total cpu time spent up to now is 7.6 secs Computing kpt #: 51 total cpu time spent up to now is 7.6 secs Computing kpt #: 52 total cpu time spent up to now is 7.7 secs Computing kpt #: 53 total cpu time spent up to now is 7.8 secs Computing kpt #: 54 total cpu time spent up to now is 8.0 secs Computing kpt #: 55 total cpu time spent up to now is 8.1 secs Computing kpt #: 56 total cpu time spent up to now is 8.2 secs Computing kpt #: 57 total cpu time spent up to now is 8.3 secs Computing kpt #: 58 total cpu time spent up to now is 8.4 secs Computing kpt #: 59 total cpu time spent up to now is 8.5 secs Computing kpt #: 60 total cpu time spent up to now is 8.6 secs Computing kpt #: 61 total cpu time spent up to now is 8.7 secs Computing kpt #: 62 total cpu time spent up to now is 8.8 secs Computing kpt #: 63 total cpu time spent up to now is 9.0 secs Computing kpt #: 64 total cpu time spent up to now is 9.1 secs Computing kpt #: 65 total cpu time spent up to now is 9.2 secs Computing kpt #: 66 total cpu time spent up to now is 9.3 secs Computing kpt #: 67 total cpu time spent up to now is 9.4 secs Computing kpt #: 68 total cpu time spent up to now is 9.6 secs Computing kpt #: 69 total cpu time spent up to now is 9.7 secs Computing kpt #: 70 total cpu time spent up to now is 9.8 secs Computing kpt #: 71 total cpu time spent up to now is 9.9 secs Computing kpt #: 72 total cpu time spent up to now is 10.0 secs Computing kpt #: 73 total cpu time spent up to now is 10.2 secs Computing kpt #: 74 total cpu time spent up to now is 10.3 secs Computing kpt #: 75 total cpu time spent up to now is 10.4 secs Computing kpt #: 76 total cpu time spent up to now is 10.5 secs Computing kpt #: 77 total cpu time spent up to now is 10.7 secs Computing kpt #: 78 total cpu time spent up to now is 10.8 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.1 secs Computing kpt #: 81 total cpu time spent up to now is 11.3 secs Computing kpt #: 82 total cpu time spent up to now is 11.4 secs Computing kpt #: 83 total cpu time spent up to now is 11.6 secs Computing kpt #: 84 total cpu time spent up to now is 11.8 secs Computing kpt #: 85 total cpu time spent up to now is 12.0 secs Computing kpt #: 86 total cpu time spent up to now is 12.2 secs Computing kpt #: 87 total cpu time spent up to now is 12.4 secs Computing kpt #: 88 total cpu time spent up to now is 12.6 secs Computing kpt #: 89 total cpu time spent up to now is 12.9 secs Computing kpt #: 90 total cpu time spent up to now is 13.0 secs Computing kpt #: 91 total cpu time spent up to now is 13.2 secs Computing kpt #: 92 total cpu time spent up to now is 13.4 secs Computing kpt #: 93 total cpu time spent up to now is 13.5 secs Computing kpt #: 94 total cpu time spent up to now is 13.7 secs Computing kpt #: 95 total cpu time spent up to now is 13.8 secs Computing kpt #: 96 total cpu time spent up to now is 13.9 secs Computing kpt #: 97 total cpu time spent up to now is 14.1 secs Computing kpt #: 98 total cpu time spent up to now is 14.2 secs Computing kpt #: 99 total cpu time spent up to now is 14.3 secs Computing kpt #: 100 total cpu time spent up to now is 14.4 secs Computing kpt #: 101 total cpu time spent up to now is 14.5 secs Computing kpt #: 102 total cpu time spent up to now is 14.6 secs Computing kpt #: 103 total cpu time spent up to now is 14.9 secs Computing kpt #: 104 total cpu time spent up to now is 15.0 secs Computing kpt #: 105 total cpu time spent up to now is 15.1 secs Computing kpt #: 106 total cpu time spent up to now is 15.2 secs Computing kpt #: 107 total cpu time spent up to now is 15.3 secs Computing kpt #: 108 total cpu time spent up to now is 15.4 secs Computing kpt #: 109 total cpu time spent up to now is 15.5 secs Computing kpt #: 110 total cpu time spent up to now is 15.6 secs Computing kpt #: 111 total cpu time spent up to now is 15.8 secs Computing kpt #: 112 total cpu time spent up to now is 15.9 secs Computing kpt #: 113 total cpu time spent up to now is 16.0 secs Computing kpt #: 114 total cpu time spent up to now is 16.1 secs Computing kpt #: 115 total cpu time spent up to now is 16.2 secs Computing kpt #: 116 total cpu time spent up to now is 16.3 secs Computing kpt #: 117 total cpu time spent up to now is 16.4 secs Computing kpt #: 118 total cpu time spent up to now is 16.5 secs Computing kpt #: 119 total cpu time spent up to now is 16.6 secs Computing kpt #: 120 total cpu time spent up to now is 16.7 secs Computing kpt #: 121 total cpu time spent up to now is 16.8 secs Computing kpt #: 122 total cpu time spent up to now is 16.9 secs Computing kpt #: 123 total cpu time spent up to now is 17.0 secs Computing kpt #: 124 total cpu time spent up to now is 17.1 secs Computing kpt #: 125 total cpu time spent up to now is 17.2 secs Computing kpt #: 126 total cpu time spent up to now is 17.3 secs Computing kpt #: 127 total cpu time spent up to now is 17.5 secs Computing kpt #: 128 total cpu time spent up to now is 17.6 secs Computing kpt #: 129 total cpu time spent up to now is 17.7 secs Computing kpt #: 130 total cpu time spent up to now is 17.8 secs Computing kpt #: 131 total cpu time spent up to now is 17.9 secs Computing kpt #: 132 total cpu time spent up to now is 18.0 secs Computing kpt #: 133 total cpu time spent up to now is 18.1 secs Computing kpt #: 134 total cpu time spent up to now is 18.2 secs Computing kpt #: 135 total cpu time spent up to now is 18.3 secs Computing kpt #: 136 total cpu time spent up to now is 18.5 secs Computing kpt #: 137 total cpu time spent up to now is 18.6 secs Computing kpt #: 138 total cpu time spent up to now is 18.7 secs Computing kpt #: 139 total cpu time spent up to now is 18.9 secs Computing kpt #: 140 total cpu time spent up to now is 19.0 secs Computing kpt #: 141 total cpu time spent up to now is 19.1 secs Computing kpt #: 142 total cpu time spent up to now is 19.3 secs Computing kpt #: 143 total cpu time spent up to now is 19.4 secs Computing kpt #: 144 total cpu time spent up to now is 19.6 secs Computing kpt #: 145 total cpu time spent up to now is 19.7 secs Computing kpt #: 146 total cpu time spent up to now is 19.9 secs Computing kpt #: 147 total cpu time spent up to now is 20.0 secs Computing kpt #: 148 total cpu time spent up to now is 20.2 secs Computing kpt #: 149 total cpu time spent up to now is 20.4 secs Computing kpt #: 150 total cpu time spent up to now is 20.5 secs Computing kpt #: 151 total cpu time spent up to now is 20.7 secs Computing kpt #: 152 total cpu time spent up to now is 20.8 secs Computing kpt #: 153 total cpu time spent up to now is 21.0 secs Computing kpt #: 154 total cpu time spent up to now is 21.1 secs Computing kpt #: 155 total cpu time spent up to now is 21.3 secs Computing kpt #: 156 total cpu time spent up to now is 21.4 secs Computing kpt #: 157 total cpu time spent up to now is 21.6 secs Computing kpt #: 158 total cpu time spent up to now is 21.7 secs Computing kpt #: 159 total cpu time spent up to now is 21.8 secs Computing kpt #: 160 total cpu time spent up to now is 22.0 secs Computing kpt #: 161 total cpu time spent up to now is 22.1 secs Computing kpt #: 162 total cpu time spent up to now is 22.3 secs Computing kpt #: 163 total cpu time spent up to now is 22.4 secs Computing kpt #: 164 total cpu time spent up to now is 22.6 secs Computing kpt #: 165 total cpu time spent up to now is 22.7 secs Computing kpt #: 166 total cpu time spent up to now is 22.9 secs Computing kpt #: 167 total cpu time spent up to now is 23.0 secs Computing kpt #: 168 total cpu time spent up to now is 23.2 secs Computing kpt #: 169 total cpu time spent up to now is 23.3 secs Computing kpt #: 170 total cpu time spent up to now is 23.5 secs Computing kpt #: 171 total cpu time spent up to now is 23.6 secs Computing kpt #: 172 total cpu time spent up to now is 23.7 secs Computing kpt #: 173 total cpu time spent up to now is 23.9 secs Computing kpt #: 174 total cpu time spent up to now is 24.0 secs Computing kpt #: 175 total cpu time spent up to now is 24.1 secs Computing kpt #: 176 total cpu time spent up to now is 24.2 secs Computing kpt #: 177 total cpu time spent up to now is 24.4 secs Computing kpt #: 178 total cpu time spent up to now is 24.5 secs Computing kpt #: 179 total cpu time spent up to now is 24.6 secs Computing kpt #: 180 total cpu time spent up to now is 24.7 secs Computing kpt #: 181 total cpu time spent up to now is 24.8 secs Computing kpt #: 182 total cpu time spent up to now is 24.9 secs Computing kpt #: 183 total cpu time spent up to now is 25.0 secs Computing kpt #: 184 total cpu time spent up to now is 25.2 secs Computing kpt #: 185 total cpu time spent up to now is 25.3 secs Computing kpt #: 186 total cpu time spent up to now is 25.4 secs Computing kpt #: 187 total cpu time spent up to now is 25.5 secs Computing kpt #: 188 total cpu time spent up to now is 25.6 secs Computing kpt #: 189 total cpu time spent up to now is 25.7 secs Computing kpt #: 190 total cpu time spent up to now is 25.8 secs Computing kpt #: 191 total cpu time spent up to now is 25.9 secs Computing kpt #: 192 total cpu time spent up to now is 26.0 secs Computing kpt #: 193 total cpu time spent up to now is 26.1 secs Computing kpt #: 194 total cpu time spent up to now is 26.2 secs Computing kpt #: 195 total cpu time spent up to now is 26.3 secs Computing kpt #: 196 total cpu time spent up to now is 26.4 secs Computing kpt #: 197 total cpu time spent up to now is 26.6 secs Computing kpt #: 198 total cpu time spent up to now is 26.7 secs Computing kpt #: 199 total cpu time spent up to now is 26.8 secs Computing kpt #: 200 total cpu time spent up to now is 26.9 secs Computing kpt #: 201 total cpu time spent up to now is 27.0 secs Computing kpt #: 202 total cpu time spent up to now is 27.1 secs Computing kpt #: 203 total cpu time spent up to now is 27.2 secs Computing kpt #: 204 total cpu time spent up to now is 27.4 secs Computing kpt #: 205 total cpu time spent up to now is 27.5 secs Computing kpt #: 206 total cpu time spent up to now is 27.6 secs Computing kpt #: 207 total cpu time spent up to now is 27.7 secs Computing kpt #: 208 total cpu time spent up to now is 27.9 secs Computing kpt #: 209 total cpu time spent up to now is 28.0 secs Computing kpt #: 210 total cpu time spent up to now is 28.1 secs Computing kpt #: 211 total cpu time spent up to now is 28.3 secs Computing kpt #: 212 total cpu time spent up to now is 28.4 secs Computing kpt #: 213 total cpu time spent up to now is 28.5 secs Computing kpt #: 214 total cpu time spent up to now is 28.7 secs Computing kpt #: 215 total cpu time spent up to now is 28.8 secs Computing kpt #: 216 total cpu time spent up to now is 28.9 secs Computing kpt #: 217 total cpu time spent up to now is 29.1 secs Computing kpt #: 218 total cpu time spent up to now is 29.2 secs Computing kpt #: 219 total cpu time spent up to now is 29.3 secs Computing kpt #: 220 total cpu time spent up to now is 29.5 secs Computing kpt #: 221 total cpu time spent up to now is 29.6 secs Computing kpt #: 222 total cpu time spent up to now is 29.8 secs Computing kpt #: 223 total cpu time spent up to now is 29.9 secs Computing kpt #: 224 total cpu time spent up to now is 30.1 secs Computing kpt #: 225 total cpu time spent up to now is 30.2 secs Computing kpt #: 226 total cpu time spent up to now is 30.3 secs Computing kpt #: 227 total cpu time spent up to now is 30.5 secs Computing kpt #: 228 total cpu time spent up to now is 30.6 secs Computing kpt #: 229 total cpu time spent up to now is 30.8 secs Computing kpt #: 230 total cpu time spent up to now is 30.9 secs Computing kpt #: 231 total cpu time spent up to now is 31.1 secs Computing kpt #: 232 total cpu time spent up to now is 31.2 secs Computing kpt #: 233 total cpu time spent up to now is 31.3 secs Computing kpt #: 234 total cpu time spent up to now is 31.4 secs Computing kpt #: 235 total cpu time spent up to now is 31.6 secs Computing kpt #: 236 total cpu time spent up to now is 31.7 secs Computing kpt #: 237 total cpu time spent up to now is 31.8 secs Computing kpt #: 238 total cpu time spent up to now is 31.9 secs Computing kpt #: 239 total cpu time spent up to now is 32.0 secs Computing kpt #: 240 total cpu time spent up to now is 32.1 secs Computing kpt #: 241 total cpu time spent up to now is 32.2 secs Computing kpt #: 242 total cpu time spent up to now is 32.3 secs Computing kpt #: 243 total cpu time spent up to now is 32.5 secs Computing kpt #: 244 total cpu time spent up to now is 32.6 secs Computing kpt #: 245 total cpu time spent up to now is 32.7 secs Computing kpt #: 246 total cpu time spent up to now is 32.8 secs Computing kpt #: 247 total cpu time spent up to now is 32.9 secs Computing kpt #: 248 total cpu time spent up to now is 33.0 secs Computing kpt #: 249 total cpu time spent up to now is 33.1 secs Computing kpt #: 250 total cpu time spent up to now is 33.2 secs Computing kpt #: 251 total cpu time spent up to now is 33.3 secs Computing kpt #: 252 total cpu time spent up to now is 33.4 secs Computing kpt #: 253 total cpu time spent up to now is 33.5 secs Computing kpt #: 254 total cpu time spent up to now is 33.6 secs Computing kpt #: 255 total cpu time spent up to now is 33.7 secs Computing kpt #: 256 total cpu time spent up to now is 33.8 secs Computing kpt #: 257 total cpu time spent up to now is 33.9 secs Computing kpt #: 258 total cpu time spent up to now is 34.0 secs Computing kpt #: 259 total cpu time spent up to now is 34.2 secs Computing kpt #: 260 total cpu time spent up to now is 34.4 secs Computing kpt #: 261 total cpu time spent up to now is 34.6 secs Computing kpt #: 262 total cpu time spent up to now is 34.7 secs Computing kpt #: 263 total cpu time spent up to now is 34.8 secs Computing kpt #: 264 total cpu time spent up to now is 34.9 secs Computing kpt #: 265 total cpu time spent up to now is 35.0 secs Computing kpt #: 266 total cpu time spent up to now is 35.1 secs Computing kpt #: 267 total cpu time spent up to now is 35.2 secs Computing kpt #: 268 total cpu time spent up to now is 35.3 secs Computing kpt #: 269 total cpu time spent up to now is 35.4 secs Computing kpt #: 270 total cpu time spent up to now is 35.5 secs Computing kpt #: 271 total cpu time spent up to now is 35.6 secs Computing kpt #: 272 total cpu time spent up to now is 35.7 secs Computing kpt #: 273 total cpu time spent up to now is 35.8 secs Computing kpt #: 274 total cpu time spent up to now is 35.9 secs Computing kpt #: 275 total cpu time spent up to now is 36.0 secs Computing kpt #: 276 total cpu time spent up to now is 36.1 secs Computing kpt #: 277 total cpu time spent up to now is 36.2 secs Computing kpt #: 278 total cpu time spent up to now is 36.3 secs Computing kpt #: 279 total cpu time spent up to now is 36.4 secs Computing kpt #: 280 total cpu time spent up to now is 36.5 secs Computing kpt #: 281 total cpu time spent up to now is 36.6 secs Computing kpt #: 282 total cpu time spent up to now is 36.7 secs Computing kpt #: 283 total cpu time spent up to now is 36.9 secs Computing kpt #: 284 total cpu time spent up to now is 37.1 secs Computing kpt #: 285 total cpu time spent up to now is 37.4 secs Computing kpt #: 286 total cpu time spent up to now is 37.6 secs Computing kpt #: 287 total cpu time spent up to now is 37.8 secs Computing kpt #: 288 total cpu time spent up to now is 37.9 secs Computing kpt #: 289 total cpu time spent up to now is 38.1 secs Computing kpt #: 290 total cpu time spent up to now is 38.2 secs Computing kpt #: 291 total cpu time spent up to now is 38.3 secs Computing kpt #: 292 total cpu time spent up to now is 38.4 secs Computing kpt #: 293 total cpu time spent up to now is 38.5 secs Computing kpt #: 294 total cpu time spent up to now is 38.6 secs Computing kpt #: 295 total cpu time spent up to now is 38.7 secs Computing kpt #: 296 total cpu time spent up to now is 38.8 secs Computing kpt #: 297 total cpu time spent up to now is 38.9 secs Computing kpt #: 298 total cpu time spent up to now is 39.0 secs Computing kpt #: 299 total cpu time spent up to now is 39.1 secs Computing kpt #: 300 total cpu time spent up to now is 39.2 secs Computing kpt #: 301 total cpu time spent up to now is 39.3 secs Computing kpt #: 302 total cpu time spent up to now is 39.4 secs Computing kpt #: 303 total cpu time spent up to now is 39.5 secs Computing kpt #: 304 total cpu time spent up to now is 39.6 secs Computing kpt #: 305 total cpu time spent up to now is 39.7 secs Computing kpt #: 306 total cpu time spent up to now is 39.8 secs Computing kpt #: 307 total cpu time spent up to now is 40.0 secs Computing kpt #: 308 total cpu time spent up to now is 40.1 secs Computing kpt #: 309 total cpu time spent up to now is 40.2 secs Computing kpt #: 310 total cpu time spent up to now is 40.3 secs Computing kpt #: 311 total cpu time spent up to now is 40.5 secs Computing kpt #: 312 total cpu time spent up to now is 40.6 secs Computing kpt #: 313 total cpu time spent up to now is 40.8 secs Computing kpt #: 314 total cpu time spent up to now is 40.9 secs Computing kpt #: 315 total cpu time spent up to now is 41.0 secs Computing kpt #: 316 total cpu time spent up to now is 41.2 secs Computing kpt #: 317 total cpu time spent up to now is 41.4 secs Computing kpt #: 318 total cpu time spent up to now is 41.5 secs Computing kpt #: 319 total cpu time spent up to now is 41.6 secs Computing kpt #: 320 total cpu time spent up to now is 41.8 secs Computing kpt #: 321 total cpu time spent up to now is 41.9 secs Computing kpt #: 322 total cpu time spent up to now is 42.0 secs Computing kpt #: 323 total cpu time spent up to now is 42.2 secs Computing kpt #: 324 total cpu time spent up to now is 42.3 secs Computing kpt #: 325 total cpu time spent up to now is 42.5 secs ethr = 4.17E-08, avg # of iterations = 15.1 total cpu time spent up to now is 42.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5629 -12.5629 -11.1145 -11.1145 -11.1145 -11.1145 -3.5606 -3.5606 -3.5606 -3.5606 -2.7264 -2.7264 -2.7264 -2.7264 -2.6718 -2.6718 3.3143 3.3143 11.0078 11.0078 11.0078 11.0078 13.9057 13.9057 14.4673 14.4673 14.4673 14.4673 14.7406 14.7406 k = 0.0000 0.0119-0.0000 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5630 -12.5630 -11.1147 -11.1147 -11.1145 -11.1145 -3.5606 -3.5606 -3.5606 -3.5606 -2.7264 -2.7264 -2.7263 -2.7263 -2.6718 -2.6718 3.3161 3.3161 11.0061 11.0061 11.0083 11.0083 13.8958 13.8958 14.4352 14.4352 14.4498 14.4498 14.7506 14.7506 k = 0.0000 0.0238-0.0000 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5632 -12.5632 -11.1153 -11.1153 -11.1144 -11.1144 -3.5606 -3.5606 -3.5604 -3.5604 -2.7263 -2.7263 -2.7260 -2.7260 -2.6718 -2.6718 3.3215 3.3215 11.0008 11.0008 11.0099 11.0099 13.8673 13.8673 14.3620 14.3620 14.4068 14.4068 14.7605 14.7605 k = 0.0000 0.0357-0.0000 ( 1579 PWs) bands (ev): -31.6419 -31.6419 -12.5636 -12.5636 -11.1164 -11.1164 -11.1143 -11.1143 -3.5606 -3.5606 -3.5601 -3.5601 -2.7263 -2.7263 -2.7256 -2.7256 -2.6719 -2.6719 3.3305 3.3305 10.9918 10.9918 11.0126 11.0126 13.8234 13.8234 14.2735 14.2735 14.3510 14.3510 14.7647 14.7647 k = 0.0000 0.0476-0.0000 ( 1583 PWs) bands (ev): -31.6418 -31.6418 -12.5641 -12.5641 -11.1178 -11.1178 -11.1141 -11.1141 -3.5605 -3.5605 -3.5596 -3.5596 -2.7262 -2.7262 -2.7249 -2.7249 -2.6720 -2.6720 3.3431 3.3431 10.9787 10.9787 11.0163 11.0163 13.7677 13.7677 14.1795 14.1795 14.2881 14.2881 14.7668 14.7668 k = 0.0000 0.0595-0.0000 ( 1591 PWs) bands (ev): -31.6417 -31.6417 -12.5648 -12.5648 -11.1197 -11.1197 -11.1139 -11.1139 -3.5605 -3.5605 -3.5591 -3.5591 -2.7261 -2.7261 -2.7241 -2.7241 -2.6722 -2.6722 3.3593 3.3593 10.9609 10.9609 11.0211 11.0211 13.7039 13.7039 14.0839 14.0839 14.2208 14.2208 14.7682 14.7682 k = 0.0000 0.0714-0.0000 ( 1587 PWs) bands (ev): -31.6415 -31.6415 -12.5656 -12.5656 -11.1220 -11.1220 -11.1137 -11.1137 -3.5604 -3.5604 -3.5584 -3.5584 -2.7260 -2.7260 -2.7232 -2.7232 -2.6723 -2.6723 3.3791 3.3791 10.9378 10.9378 11.0269 11.0269 13.6348 13.6348 13.9880 13.9880 14.1513 14.1513 14.7695 14.7695 k = 0.0000 0.0833-0.0000 ( 1587 PWs) bands (ev): -31.6412 -31.6412 -12.5666 -12.5666 -11.1246 -11.1246 -11.1134 -11.1134 -3.5603 -3.5603 -3.5576 -3.5576 -2.7258 -2.7258 -2.7220 -2.7220 -2.6725 -2.6725 3.4024 3.4024 10.9085 10.9085 11.0336 11.0336 13.5626 13.5626 13.8928 13.8928 14.0816 14.0816 14.7708 14.7708 k = 0.0000 0.0952-0.0000 ( 1587 PWs) bands (ev): -31.6410 -31.6410 -12.5676 -12.5676 -11.1275 -11.1275 -11.1131 -11.1131 -3.5602 -3.5602 -3.5567 -3.5567 -2.7257 -2.7257 -2.7207 -2.7207 -2.6727 -2.6727 3.4293 3.4293 10.8724 10.8724 11.0414 11.0414 13.4887 13.4887 13.7987 13.7987 14.0138 14.0138 14.7721 14.7721 k = 0.0000 0.1071-0.0000 ( 1595 PWs) bands (ev): -31.6408 -31.6408 -12.5689 -12.5689 -11.1309 -11.1309 -11.1128 -11.1128 -3.5601 -3.5601 -3.5558 -3.5558 -2.7255 -2.7255 -2.7193 -2.7193 -2.6730 -2.6730 3.4596 3.4596 10.8287 10.8287 11.0501 11.0501 13.4142 13.4142 13.7059 13.7059 13.9503 13.9503 14.7734 14.7734 k = 0.0000 0.1190-0.0000 ( 1595 PWs) bands (ev): -31.6405 -31.6405 -12.5702 -12.5702 -11.1345 -11.1345 -11.1124 -11.1124 -3.5600 -3.5600 -3.5547 -3.5547 -2.7253 -2.7253 -2.7176 -2.7176 -2.6733 -2.6733 3.4934 3.4934 10.7766 10.7766 11.0598 11.0598 13.3397 13.3397 13.6147 13.6147 13.8931 13.8931 14.7749 14.7749 k = 0.0000 0.1310-0.0000 ( 1599 PWs) bands (ev): -31.6401 -31.6401 -12.5717 -12.5717 -11.1384 -11.1384 -11.1120 -11.1120 -3.5598 -3.5598 -3.5536 -3.5536 -2.7252 -2.7252 -2.7159 -2.7159 -2.6736 -2.6736 3.5307 3.5307 10.7157 10.7157 11.0703 11.0703 13.2654 13.2654 13.5253 13.5253 13.8443 13.8443 14.7764 14.7764 k = 0.0000 0.1429-0.0000 ( 1599 PWs) bands (ev): -31.6398 -31.6398 -12.5733 -12.5733 -11.1426 -11.1426 -11.1115 -11.1115 -3.5597 -3.5597 -3.5523 -3.5523 -2.7249 -2.7249 -2.7140 -2.7140 -2.6739 -2.6739 3.5713 3.5713 10.6454 10.6454 11.0817 11.0817 13.1917 13.1917 13.4377 13.4377 13.8055 13.8055 14.7781 14.7781 k = 0.0000 0.1548-0.0000 ( 1607 PWs) bands (ev): -31.6395 -31.6395 -12.5749 -12.5749 -11.1470 -11.1470 -11.1111 -11.1111 -3.5596 -3.5596 -3.5511 -3.5511 -2.7247 -2.7247 -2.7120 -2.7120 -2.6742 -2.6742 3.6153 3.6153 10.5658 10.5658 11.0938 11.0938 13.1185 13.1185 13.3522 13.3522 13.7781 13.7781 14.7798 14.7798 k = 0.0000 0.1667-0.0000 ( 1599 PWs) bands (ev): -31.6390 -31.6390 -12.5767 -12.5767 -11.1516 -11.1516 -11.1106 -11.1106 -3.5594 -3.5594 -3.5497 -3.5497 -2.7245 -2.7245 -2.7098 -2.7098 -2.6745 -2.6745 3.6626 3.6626 10.4770 10.4770 11.1067 11.1067 13.0460 13.0460 13.2687 13.2687 13.7627 13.7627 14.7817 14.7817 k = 0.0000 0.1786-0.0000 ( 1599 PWs) bands (ev): -31.6386 -31.6386 -12.5786 -12.5786 -11.1564 -11.1564 -11.1101 -11.1101 -3.5592 -3.5592 -3.5483 -3.5483 -2.7243 -2.7243 -2.7076 -2.7076 -2.6749 -2.6749 3.7131 3.7131 10.3793 10.3793 11.1203 11.1203 12.9744 12.9744 13.1874 13.1874 13.7597 13.7597 14.7836 14.7836 k = 0.0000 0.1905-0.0000 ( 1595 PWs) bands (ev): -31.6382 -31.6382 -12.5806 -12.5806 -11.1613 -11.1613 -11.1095 -11.1095 -3.5591 -3.5591 -3.5469 -3.5469 -2.7240 -2.7240 -2.7052 -2.7052 -2.6752 -2.6752 3.7669 3.7669 10.2733 10.2733 11.1346 11.1346 12.9037 12.9037 13.1083 13.1083 13.7691 13.7691 14.7855 14.7855 k = 0.0000 0.2024-0.0000 ( 1595 PWs) bands (ev): -31.6378 -31.6378 -12.5826 -12.5826 -11.1664 -11.1664 -11.1090 -11.1090 -3.5589 -3.5589 -3.5455 -3.5455 -2.7238 -2.7238 -2.7028 -2.7028 -2.6756 -2.6756 3.8238 3.8238 10.1598 10.1598 11.1494 11.1494 12.8343 12.8343 13.0316 13.0316 13.7905 13.7905 14.7876 14.7876 k = 0.0000 0.2143-0.0000 ( 1595 PWs) bands (ev): -31.6373 -31.6373 -12.5847 -12.5847 -11.1715 -11.1715 -11.1084 -11.1084 -3.5587 -3.5587 -3.5440 -3.5440 -2.7236 -2.7236 -2.7003 -2.7003 -2.6760 -2.6760 3.8838 3.8838 10.0395 10.0395 11.1648 11.1648 12.7664 12.7664 12.9574 12.9574 13.8234 13.8234 14.7896 14.7896 k = 0.0000 0.2262-0.0000 ( 1595 PWs) bands (ev): -31.6369 -31.6369 -12.5869 -12.5869 -11.1767 -11.1767 -11.1078 -11.1078 -3.5585 -3.5585 -3.5425 -3.5425 -2.7233 -2.7233 -2.6977 -2.6977 -2.6763 -2.6763 3.9468 3.9468 9.9134 9.9134 11.1805 11.1805 12.7001 12.7001 12.8856 12.8856 13.8672 13.8672 14.7918 14.7918 k = 0.0000 0.2381-0.0000 ( 1595 PWs) bands (ev): -31.6364 -31.6364 -12.5891 -12.5891 -11.1819 -11.1819 -11.1073 -11.1073 -3.5584 -3.5584 -3.5411 -3.5411 -2.7231 -2.7231 -2.6951 -2.6951 -2.6767 -2.6767 4.0127 4.0127 9.7823 9.7823 11.1967 11.1967 12.6358 12.6358 12.8164 12.8164 13.9210 13.9210 14.7939 14.7939 k = 0.0000 0.2500-0.0000 ( 1611 PWs) bands (ev): -31.6360 -31.6360 -12.5913 -12.5913 -11.1871 -11.1871 -11.1067 -11.1067 -3.5582 -3.5582 -3.5396 -3.5396 -2.7229 -2.7229 -2.6924 -2.6924 -2.6770 -2.6770 4.0815 4.0815 9.6472 9.6472 11.2131 11.2131 12.5734 12.5734 12.7498 12.7498 13.9841 13.9841 14.7960 14.7960 k = 0.0000 0.2619-0.0000 ( 1598 PWs) bands (ev): -31.6355 -31.6355 -12.5936 -12.5936 -11.1923 -11.1923 -11.1061 -11.1061 -3.5580 -3.5580 -3.5382 -3.5382 -2.7227 -2.7227 -2.6898 -2.6898 -2.6774 -2.6774 4.1531 4.1531 9.5087 9.5087 11.2297 11.2297 12.5134 12.5134 12.6859 12.6859 14.0557 14.0557 14.7982 14.7982 k = 0.0000 0.2738-0.0000 ( 1598 PWs) bands (ev): -31.6350 -31.6350 -12.5958 -12.5958 -11.1974 -11.1974 -11.1055 -11.1055 -3.5578 -3.5578 -3.5367 -3.5367 -2.7225 -2.7225 -2.6871 -2.6871 -2.6777 -2.6777 4.2273 4.2273 9.3678 9.3678 11.2464 11.2464 12.4556 12.4556 12.6247 12.6247 14.1352 14.1352 14.8003 14.8003 k = 0.0000 0.2857-0.0000 ( 1598 PWs) bands (ev): -31.6346 -31.6346 -12.5981 -12.5981 -11.2025 -11.2025 -11.1049 -11.1049 -3.5577 -3.5577 -3.5354 -3.5354 -2.7223 -2.7223 -2.6844 -2.6844 -2.6780 -2.6780 4.3041 4.3041 9.2251 9.2251 11.2632 11.2632 12.4003 12.4003 12.5664 12.5664 14.2217 14.2217 14.8025 14.8025 k = 0.0000 0.2976-0.0000 ( 1598 PWs) bands (ev): -31.6341 -31.6341 -12.6003 -12.6003 -11.2074 -11.2074 -11.1044 -11.1044 -3.5575 -3.5575 -3.5340 -3.5340 -2.7221 -2.7221 -2.6818 -2.6818 -2.6783 -2.6783 4.3833 4.3833 9.0812 9.0812 11.2798 11.2798 12.3476 12.3476 12.5109 12.5109 14.3146 14.3146 14.8046 14.8046 k = 0.0000 0.3095-0.0000 ( 1590 PWs) bands (ev): -31.6337 -31.6337 -12.6025 -12.6025 -11.2122 -11.2122 -11.1038 -11.1038 -3.5573 -3.5573 -3.5327 -3.5327 -2.7219 -2.7219 -2.6792 -2.6792 -2.6786 -2.6786 4.4648 4.4648 8.9369 8.9369 11.2963 11.2963 12.2976 12.2976 12.4583 12.4583 14.4131 14.4131 14.8066 14.8066 k = 0.0000 0.3214-0.0000 ( 1590 PWs) bands (ev): -31.6333 -31.6333 -12.6046 -12.6046 -11.2168 -11.2168 -11.1033 -11.1033 -3.5571 -3.5571 -3.5314 -3.5314 -2.7217 -2.7217 -2.6789 -2.6789 -2.6766 -2.6766 4.5484 4.5484 8.7928 8.7928 11.3125 11.3125 12.2502 12.2502 12.4087 12.4087 14.5166 14.5166 14.8086 14.8086 k = 0.0000 0.3333-0.0000 ( 1594 PWs) bands (ev): -31.6329 -31.6329 -12.6067 -12.6067 -11.2212 -11.2212 -11.1028 -11.1028 -3.5570 -3.5570 -3.5303 -3.5303 -2.7216 -2.7216 -2.6792 -2.6792 -2.6742 -2.6742 4.6338 4.6338 8.6493 8.6493 11.3283 11.3283 12.2056 12.2056 12.3621 12.3621 14.6242 14.6242 14.8106 14.8106 k = 0.0000 0.3452-0.0000 ( 1594 PWs) bands (ev): -31.6325 -31.6325 -12.6087 -12.6087 -11.2254 -11.2254 -11.1023 -11.1023 -3.5568 -3.5568 -3.5291 -3.5291 -2.7214 -2.7214 -2.6794 -2.6794 -2.6718 -2.6718 4.7208 4.7208 8.5071 8.5071 11.3436 11.3436 12.1639 12.1639 12.3185 12.3185 14.7351 14.7351 14.8124 14.8124 k = 0.0000 0.3571-0.0000 ( 1594 PWs) bands (ev): -31.6321 -31.6321 -12.6106 -12.6106 -11.2294 -11.2294 -11.1018 -11.1018 -3.5567 -3.5567 -3.5281 -3.5281 -2.7213 -2.7213 -2.6796 -2.6796 -2.6695 -2.6695 4.8091 4.8091 8.3669 8.3669 11.3583 11.3583 12.1251 12.1251 12.2779 12.2779 14.8142 14.8142 14.8485 14.8485 k = 0.0000 0.3690-0.0000 ( 1594 PWs) bands (ev): -31.6318 -31.6318 -12.6124 -12.6124 -11.2331 -11.2331 -11.1013 -11.1013 -3.5566 -3.5566 -3.5271 -3.5271 -2.7212 -2.7212 -2.6798 -2.6798 -2.6674 -2.6674 4.8983 4.8983 8.2291 8.2291 11.3723 11.3723 12.0893 12.0893 12.2405 12.2405 14.8159 14.8159 14.9634 14.9634 k = 0.0000 0.3810-0.0000 ( 1594 PWs) bands (ev): -31.6314 -31.6314 -12.6141 -12.6141 -11.2365 -11.2365 -11.1009 -11.1009 -3.5564 -3.5564 -3.5262 -3.5262 -2.7211 -2.7211 -2.6800 -2.6800 -2.6653 -2.6653 4.9879 4.9879 8.0946 8.0946 11.3855 11.3855 12.0564 12.0564 12.2063 12.2063 14.8174 14.8174 15.0786 15.0786 k = 0.0000 0.3929-0.0000 ( 1594 PWs) bands (ev): -31.6311 -31.6311 -12.6157 -12.6157 -11.2397 -11.2397 -11.1005 -11.1005 -3.5563 -3.5563 -3.5253 -3.5253 -2.7210 -2.7210 -2.6802 -2.6802 -2.6635 -2.6635 5.0773 5.0773 7.9641 7.9641 11.3977 11.3977 12.0265 12.0265 12.1752 12.1752 14.8188 14.8188 15.1930 15.1930 k = 0.0000 0.4048-0.0000 ( 1602 PWs) bands (ev): -31.6309 -31.6309 -12.6172 -12.6172 -11.2426 -11.2426 -11.1002 -11.1002 -3.5562 -3.5562 -3.5246 -3.5246 -2.7209 -2.7209 -2.6803 -2.6803 -2.6618 -2.6618 5.1655 5.1655 7.8387 7.8387 11.4090 11.4090 11.9998 11.9998 12.1473 12.1473 14.8202 14.8202 15.3049 15.3049 k = 0.0000 0.4167-0.0000 ( 1602 PWs) bands (ev): -31.6306 -31.6306 -12.6185 -12.6185 -11.2452 -11.2452 -11.0999 -11.0999 -3.5561 -3.5561 -3.5239 -3.5239 -2.7209 -2.7209 -2.6805 -2.6805 -2.6602 -2.6602 5.2517 5.2517 7.7195 7.7195 11.4192 11.4192 11.9761 11.9761 12.1226 12.1226 14.8213 14.8213 15.4127 15.4127 k = 0.0000 0.4286-0.0000 ( 1602 PWs) bands (ev): -31.6304 -31.6304 -12.6196 -12.6196 -11.2474 -11.2474 -11.0996 -11.0996 -3.5560 -3.5560 -3.5233 -3.5233 -2.7208 -2.7208 -2.6806 -2.6806 -2.6589 -2.6589 5.3343 5.3343 7.6080 7.6080 11.4282 11.4282 11.9555 11.9555 12.1012 12.1012 14.8224 14.8224 15.5143 15.5143 k = 0.0000 0.4405-0.0000 ( 1602 PWs) bands (ev): -31.6302 -31.6302 -12.6206 -12.6206 -11.2493 -11.2493 -11.0994 -11.0994 -3.5560 -3.5560 -3.5228 -3.5228 -2.7208 -2.7208 -2.6807 -2.6807 -2.6577 -2.6577 5.4116 5.4116 7.5062 7.5062 11.4360 11.4360 11.9380 11.9380 12.0831 12.0831 14.8233 14.8233 15.6072 15.6072 k = 0.0000 0.4524-0.0000 ( 1602 PWs) bands (ev): -31.6301 -31.6301 -12.6214 -12.6214 -11.2509 -11.2509 -11.0992 -11.0992 -3.5559 -3.5559 -3.5224 -3.5224 -2.7207 -2.7207 -2.6807 -2.6807 -2.6568 -2.6568 5.4813 5.4813 7.4163 7.4163 11.4424 11.4424 11.9237 11.9237 12.0682 12.0682 14.8240 14.8240 15.6889 15.6889 k = 0.0000 0.4643-0.0000 ( 1610 PWs) bands (ev): -31.6300 -31.6300 -12.6220 -12.6220 -11.2521 -11.2521 -11.0990 -11.0990 -3.5559 -3.5559 -3.5221 -3.5221 -2.7207 -2.7207 -2.6808 -2.6808 -2.6560 -2.6560 5.5405 5.5405 7.3413 7.3413 11.4475 11.4475 11.9126 11.9126 12.0566 12.0566 14.8246 14.8246 15.7566 15.7566 k = 0.0000 0.4762-0.0000 ( 1622 PWs) bands (ev): -31.6299 -31.6299 -12.6225 -12.6225 -11.2530 -11.2530 -11.0989 -11.0989 -3.5558 -3.5558 -3.5218 -3.5218 -2.7207 -2.7207 -2.6808 -2.6808 -2.6555 -2.6555 5.5862 5.5862 7.2843 7.2843 11.4511 11.4511 11.9046 11.9046 12.0484 12.0484 14.8250 14.8250 15.8074 15.8074 k = 0.0000 0.4881-0.0000 ( 1622 PWs) bands (ev): -31.6299 -31.6299 -12.6228 -12.6228 -11.2536 -11.2536 -11.0989 -11.0989 -3.5558 -3.5558 -3.5217 -3.5217 -2.7207 -2.7207 -2.6809 -2.6809 -2.6551 -2.6551 5.6152 5.6152 7.2485 7.2485 11.4533 11.4533 11.8998 11.8998 12.0434 12.0434 14.8252 14.8252 15.8390 15.8390 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -31.6299 -31.6299 -12.6229 -12.6229 -11.2537 -11.2537 -11.0988 -11.0988 -3.5558 -3.5558 -3.5217 -3.5217 -2.7207 -2.7207 -2.6809 -2.6809 -2.6550 -2.6550 5.6251 5.6251 7.2363 7.2363 11.4541 11.4541 11.8982 11.8982 12.0417 12.0417 14.8253 14.8253 15.8498 15.8498 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -31.6299 -31.6299 -12.6229 -12.6229 -11.2537 -11.2537 -11.0988 -11.0988 -3.5558 -3.5558 -3.5217 -3.5217 -2.7207 -2.7207 -2.6809 -2.6809 -2.6550 -2.6550 5.6251 5.6251 7.2363 7.2363 11.4541 11.4541 11.8982 11.8982 12.0417 12.0417 14.8253 14.8253 15.8498 15.8498 k = 0.0119 0.5000-0.0000 ( 1622 PWs) bands (ev): -31.6299 -31.6299 -12.6229 -12.6229 -11.2538 -11.2538 -11.0990 -11.0990 -3.5558 -3.5558 -3.5217 -3.5217 -2.7206 -2.7206 -2.6810 -2.6810 -2.6550 -2.6550 5.6256 5.6256 7.2385 7.2385 11.4553 11.4553 11.8971 11.8971 12.0407 12.0407 14.8225 14.8225 15.8498 15.8498 k = 0.0238 0.5000-0.0000 ( 1618 PWs) bands (ev): -31.6298 -31.6298 -12.6231 -12.6231 -11.2538 -11.2538 -11.0993 -11.0993 -3.5558 -3.5558 -3.5218 -3.5218 -2.7205 -2.7205 -2.6812 -2.6812 -2.6550 -2.6550 5.6271 5.6271 7.2451 7.2451 11.4591 11.4591 11.8934 11.8934 12.0382 12.0382 14.8143 14.8143 15.8497 15.8497 k = 0.0357 0.5000-0.0000 ( 1606 PWs) bands (ev): -31.6297 -31.6297 -12.6233 -12.6233 -11.2539 -11.2539 -11.1000 -11.1000 -3.5557 -3.5557 -3.5219 -3.5219 -2.7204 -2.7204 -2.6815 -2.6815 -2.6549 -2.6549 5.6296 5.6296 7.2560 7.2560 11.4653 11.4653 11.8858 11.8858 12.0357 12.0357 14.8006 14.8006 15.8496 15.8496 k = 0.0476 0.5000-0.0000 ( 1598 PWs) bands (ev): -31.6295 -31.6295 -12.6236 -12.6236 -11.2541 -11.2541 -11.1009 -11.1009 -3.5556 -3.5556 -3.5221 -3.5221 -2.7201 -2.7201 -2.6820 -2.6820 -2.6549 -2.6549 5.6330 5.6330 7.2714 7.2714 11.4740 11.4740 11.8722 11.8722 12.0353 12.0353 14.7818 14.7818 15.8494 15.8494 k = 0.0595 0.5000-0.0000 ( 1598 PWs) bands (ev): -31.6294 -31.6294 -12.6240 -12.6240 -11.2543 -11.2543 -11.1020 -11.1020 -3.5555 -3.5555 -3.5223 -3.5223 -2.7199 -2.7199 -2.6827 -2.6827 -2.6547 -2.6547 5.6375 5.6375 7.2910 7.2910 11.4849 11.4849 11.8512 11.8512 12.0388 12.0388 14.7581 14.7581 15.8491 15.8491 k = 0.0714 0.5000-0.0000 ( 1602 PWs) bands (ev): -31.6292 -31.6292 -12.6245 -12.6245 -11.2545 -11.2545 -11.1033 -11.1033 -3.5554 -3.5554 -3.5226 -3.5226 -2.7196 -2.7196 -2.6834 -2.6834 -2.6546 -2.6546 5.6429 5.6429 7.3150 7.3150 11.4981 11.4981 11.8221 11.8221 12.0470 12.0470 14.7299 14.7299 15.8486 15.8486 k = 0.0833 0.5000-0.0000 ( 1598 PWs) bands (ev): -31.6290 -31.6290 -12.6251 -12.6251 -11.2548 -11.2548 -11.1049 -11.1049 -3.5552 -3.5552 -3.5229 -3.5229 -2.7192 -2.7192 -2.6844 -2.6844 -2.6544 -2.6544 5.6493 5.6493 7.3432 7.3432 11.5133 11.5133 11.7855 11.7855 12.0598 12.0598 14.6974 14.6974 15.8478 15.8478 k = 0.0952 0.5000-0.0000 ( 1600 PWs) bands (ev): -31.6288 -31.6288 -12.6258 -12.6258 -11.2552 -11.2552 -11.1066 -11.1066 -3.5551 -3.5551 -3.5233 -3.5233 -2.7188 -2.7188 -2.6854 -2.6854 -2.6542 -2.6542 5.6566 5.6566 7.3755 7.3755 11.5304 11.5304 11.7419 11.7419 12.0769 12.0769 14.6612 14.6612 15.8467 15.8467 k = 0.1071 0.5000-0.0000 ( 1600 PWs) bands (ev): -31.6285 -31.6285 -12.6265 -12.6265 -11.2556 -11.2556 -11.1084 -11.1084 -3.5549 -3.5549 -3.5237 -3.5237 -2.7183 -2.7183 -2.6866 -2.6866 -2.6539 -2.6539 5.6649 5.6649 7.4121 7.4121 11.5490 11.5490 11.6925 11.6925 12.0978 12.0978 14.6217 14.6217 15.8452 15.8452 k = 0.1190 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6282 -31.6282 -12.6274 -12.6274 -11.2562 -11.2562 -11.1105 -11.1105 -3.5547 -3.5547 -3.5241 -3.5241 -2.7179 -2.7179 -2.6878 -2.6878 -2.6536 -2.6536 5.6741 5.6741 7.4527 7.4527 11.5688 11.5688 11.6381 11.6381 12.1222 12.1222 14.5793 14.5793 15.8432 15.8432 k = 0.1310 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6279 -31.6279 -12.6283 -12.6283 -11.2568 -11.2568 -11.1126 -11.1126 -3.5546 -3.5546 -3.5246 -3.5246 -2.7174 -2.7174 -2.6892 -2.6892 -2.6532 -2.6532 5.6843 5.6843 7.4973 7.4973 11.5742 11.5742 11.5947 11.5947 12.1497 12.1497 14.5345 14.5345 15.8406 15.8406 k = 0.1429 0.5000-0.0000 ( 1600 PWs) bands (ev): -31.6276 -31.6276 -12.6292 -12.6292 -11.2575 -11.2575 -11.1147 -11.1147 -3.5544 -3.5544 -3.5251 -3.5251 -2.7169 -2.7169 -2.6906 -2.6906 -2.6527 -2.6527 5.6954 5.6954 7.5458 7.5458 11.5138 11.5138 11.6139 11.6139 12.1802 12.1802 14.4876 14.4876 15.8372 15.8372 k = 0.1548 0.5000-0.0000 ( 1592 PWs) bands (ev): -31.6272 -31.6272 -12.6303 -12.6303 -11.2584 -11.2584 -11.1170 -11.1170 -3.5542 -3.5542 -3.5256 -3.5256 -2.7164 -2.7164 -2.6922 -2.6922 -2.6522 -2.6522 5.7073 5.7073 7.5981 7.5981 11.4473 11.4473 11.6362 11.6362 12.2135 12.2135 14.4392 14.4392 15.8330 15.8330 k = 0.1667 0.5000-0.0000 ( 1588 PWs) bands (ev): -31.6268 -31.6268 -12.6314 -12.6314 -11.2594 -11.2594 -11.1192 -11.1192 -3.5541 -3.5541 -3.5262 -3.5262 -2.7160 -2.7160 -2.6937 -2.6937 -2.6516 -2.6516 5.7201 5.7201 7.6542 7.6542 11.3778 11.3778 11.6588 11.6588 12.2494 12.2494 14.3895 14.3895 15.8278 15.8278 k = 0.1786 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6265 -31.6265 -12.6326 -12.6326 -11.2605 -11.2605 -11.1215 -11.1215 -3.5540 -3.5540 -3.5268 -3.5268 -2.7156 -2.7156 -2.6953 -2.6953 -2.6509 -2.6509 5.7337 5.7337 7.7139 7.7139 11.3058 11.3058 11.6811 11.6811 12.2879 12.2879 14.3390 14.3390 15.8216 15.8216 k = 0.1905 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6261 -31.6261 -12.6338 -12.6338 -11.2617 -11.2617 -11.1237 -11.1237 -3.5539 -3.5539 -3.5274 -3.5274 -2.7153 -2.7153 -2.6969 -2.6969 -2.6501 -2.6501 5.7482 5.7482 7.7771 7.7771 11.2319 11.2319 11.7024 11.7024 12.3287 12.3287 14.2881 14.2881 15.8143 15.8143 k = 0.2024 0.5000-0.0000 ( 1602 PWs) bands (ev): -31.6257 -31.6257 -12.6351 -12.6351 -11.2631 -11.2631 -11.1258 -11.1258 -3.5538 -3.5538 -3.5280 -3.5280 -2.7151 -2.7151 -2.6984 -2.6984 -2.6492 -2.6492 5.7634 5.7634 7.8438 7.8438 11.1565 11.1565 11.7223 11.7223 12.3718 12.3718 14.2370 14.2370 15.8059 15.8059 k = 0.2143 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6252 -31.6252 -12.6365 -12.6365 -11.2646 -11.2646 -11.1279 -11.1279 -3.5538 -3.5538 -3.5286 -3.5286 -2.7151 -2.7151 -2.6998 -2.6998 -2.6482 -2.6482 5.7793 5.7793 7.9137 7.9137 11.0801 11.0801 11.7401 11.7401 12.4171 12.4171 14.1860 14.1860 15.7965 15.7965 k = 0.2262 0.5000-0.0000 ( 1600 PWs) bands (ev): -31.6248 -31.6248 -12.6378 -12.6378 -11.2662 -11.2662 -11.1299 -11.1299 -3.5538 -3.5538 -3.5293 -3.5293 -2.7153 -2.7153 -2.7011 -2.7011 -2.6472 -2.6472 5.7958 5.7958 7.9868 7.9868 11.0031 11.0031 11.7553 11.7553 12.4643 12.4643 14.1355 14.1355 15.7862 15.7862 k = 0.2381 0.5000-0.0000 ( 1594 PWs) bands (ev): -31.6243 -31.6243 -12.6392 -12.6392 -11.2680 -11.2680 -11.1317 -11.1317 -3.5538 -3.5538 -3.5299 -3.5299 -2.7158 -2.7158 -2.7022 -2.7022 -2.6460 -2.6460 5.8130 5.8130 8.0629 8.0629 10.9259 10.9259 11.7671 11.7671 12.5135 12.5135 14.0857 14.0857 15.7754 15.7754 k = 0.2500 0.5000-0.0000 ( 1594 PWs) bands (ev): -31.6239 -31.6239 -12.6407 -12.6407 -11.2699 -11.2699 -11.1334 -11.1334 -3.5538 -3.5538 -3.5305 -3.5305 -2.7165 -2.7165 -2.7030 -2.7030 -2.6448 -2.6448 5.8307 5.8307 8.1419 8.1419 10.8488 10.8488 11.7749 11.7749 12.5643 12.5643 14.0368 14.0368 15.7643 15.7643 k = 0.2619 0.5000-0.0000 ( 1594 PWs) bands (ev): -31.6235 -31.6235 -12.6421 -12.6421 -11.2719 -11.2719 -11.1350 -11.1350 -3.5539 -3.5539 -3.5311 -3.5311 -2.7175 -2.7175 -2.7036 -2.7036 -2.6435 -2.6435 5.8488 5.8488 8.2236 8.2236 10.7722 10.7722 11.7781 11.7781 12.6166 12.6166 13.9890 13.9890 15.7537 15.7537 k = 0.2738 0.5000-0.0000 ( 1594 PWs) bands (ev): -31.6230 -31.6230 -12.6436 -12.6436 -11.2740 -11.2740 -11.1365 -11.1365 -3.5540 -3.5540 -3.5317 -3.5317 -2.7188 -2.7188 -2.7040 -2.7040 -2.6422 -2.6422 5.8673 5.8673 8.3078 8.3078 10.6966 10.6966 11.7760 11.7760 12.6703 12.6703 13.9426 13.9426 15.7440 15.7440 k = 0.2857 0.5000-0.0000 ( 1592 PWs) bands (ev): -31.6226 -31.6226 -12.6450 -12.6450 -11.2762 -11.2762 -11.1378 -11.1378 -3.5541 -3.5541 -3.5323 -3.5323 -2.7202 -2.7202 -2.7042 -2.7042 -2.6408 -2.6408 5.8862 5.8862 8.3945 8.3945 10.6221 10.6221 11.7681 11.7681 12.7251 12.7251 13.8976 13.8976 15.7360 15.7360 k = 0.2976 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6222 -31.6222 -12.6465 -12.6465 -11.2784 -11.2784 -11.1389 -11.1389 -3.5543 -3.5543 -3.5329 -3.5329 -2.7217 -2.7217 -2.7043 -2.7043 -2.6394 -2.6394 5.9051 5.9051 8.4833 8.4833 10.5492 10.5492 11.7539 11.7539 12.7808 12.7808 13.8544 13.8544 15.7304 15.7304 k = 0.3095 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6218 -31.6218 -12.6479 -12.6479 -11.2807 -11.2807 -11.1399 -11.1399 -3.5545 -3.5545 -3.5334 -3.5334 -2.7233 -2.7233 -2.7043 -2.7043 -2.6379 -2.6379 5.9242 5.9242 8.5741 8.5741 10.4783 10.4783 11.7331 11.7331 12.8371 12.8371 13.8129 13.8129 15.7278 15.7278 k = 0.3214 0.5000-0.0000 ( 1598 PWs) bands (ev): -31.6214 -31.6214 -12.6493 -12.6493 -11.2829 -11.2829 -11.1408 -11.1408 -3.5547 -3.5547 -3.5340 -3.5340 -2.7250 -2.7250 -2.7043 -2.7043 -2.6364 -2.6364 5.9432 5.9432 8.6667 8.6667 10.4096 10.4096 11.7055 11.7055 12.8937 12.8937 13.7734 13.7734 15.7288 15.7288 k = 0.3333 0.5000-0.0000 ( 1594 PWs) bands (ev): -31.6210 -31.6210 -12.6507 -12.6507 -11.2852 -11.2852 -11.1416 -11.1416 -3.5549 -3.5549 -3.5345 -3.5345 -2.7266 -2.7266 -2.7043 -2.7043 -2.6350 -2.6350 5.9620 5.9620 8.7607 8.7607 10.3434 10.3434 11.6711 11.6711 12.9503 12.9503 13.7360 13.7360 15.7336 15.7336 k = 0.3452 0.5000-0.0000 ( 1594 PWs) bands (ev): -31.6206 -31.6206 -12.6520 -12.6520 -11.2874 -11.2874 -11.1422 -11.1422 -3.5552 -3.5552 -3.5349 -3.5349 -2.7282 -2.7282 -2.7042 -2.7042 -2.6335 -2.6335 5.9805 5.9805 8.8560 8.8560 10.2801 10.2801 11.6299 11.6299 13.0065 13.0065 13.7008 13.7008 15.7423 15.7423 k = 0.3571 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6202 -31.6202 -12.6533 -12.6533 -11.2896 -11.2896 -11.1427 -11.1427 -3.5554 -3.5554 -3.5354 -3.5354 -2.7297 -2.7297 -2.7042 -2.7042 -2.6321 -2.6321 5.9986 5.9986 8.9520 8.9520 10.2200 10.2200 11.5822 11.5822 13.0620 13.0620 13.6678 13.6678 15.7548 15.7548 k = 0.3690 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6199 -31.6199 -12.6545 -12.6545 -11.2917 -11.2917 -11.1432 -11.1432 -3.5557 -3.5557 -3.5358 -3.5358 -2.7311 -2.7311 -2.7041 -2.7041 -2.6307 -2.6307 6.0160 6.0160 9.0485 9.0485 10.1634 10.1634 11.5287 11.5287 13.1162 13.1162 13.6372 13.6372 15.7707 15.7707 k = 0.3810 0.5000-0.0000 ( 1596 PWs) bands (ev): -31.6196 -31.6196 -12.6556 -12.6556 -11.2937 -11.2937 -11.1436 -11.1436 -3.5559 -3.5559 -3.5362 -3.5362 -2.7325 -2.7325 -2.7041 -2.7041 -2.6294 -2.6294 6.0326 6.0326 9.1450 9.1450 10.1106 10.1106 11.4698 11.4698 13.1687 13.1687 13.6090 13.6090 15.7893 15.7893 k = 0.3929 0.5000-0.0000 ( 1604 PWs) bands (ev): -31.6193 -31.6193 -12.6566 -12.6566 -11.2955 -11.2955 -11.1439 -11.1439 -3.5562 -3.5562 -3.5366 -3.5366 -2.7338 -2.7338 -2.7041 -2.7041 -2.6281 -2.6281 6.0483 6.0483 9.2408 9.2408 10.0619 10.0619 11.4066 11.4066 13.2189 13.2189 13.5833 13.5833 15.8097 15.8097 k = 0.4048 0.5000-0.0000 ( 1612 PWs) bands (ev): -31.6191 -31.6191 -12.6576 -12.6576 -11.2972 -11.2972 -11.1441 -11.1441 -3.5564 -3.5564 -3.5369 -3.5369 -2.7350 -2.7350 -2.7040 -2.7040 -2.6270 -2.6270 6.0629 6.0629 9.3351 9.3351 10.0177 10.0177 11.3400 11.3400 13.2663 13.2663 13.5602 13.5602 15.8311 15.8311 k = 0.4167 0.5000-0.0000 ( 1612 PWs) bands (ev): -31.6189 -31.6189 -12.6585 -12.6585 -11.2988 -11.2988 -11.1443 -11.1443 -3.5566 -3.5566 -3.5372 -3.5372 -2.7360 -2.7360 -2.7040 -2.7040 -2.6259 -2.6259 6.0762 6.0762 9.4269 9.4269 9.9782 9.9782 11.2714 11.2714 13.3102 13.3102 13.5398 13.5398 15.8525 15.8525 k = 0.4286 0.5000-0.0000 ( 1612 PWs) bands (ev): -31.6187 -31.6187 -12.6592 -12.6592 -11.3002 -11.3002 -11.1444 -11.1444 -3.5568 -3.5568 -3.5374 -3.5374 -2.7369 -2.7369 -2.7040 -2.7040 -2.6250 -2.6250 6.0881 6.0881 9.5149 9.5149 9.9439 9.9439 11.2023 11.2023 13.3499 13.3499 13.5221 13.5221 15.8727 15.8727 k = 0.4405 0.5000-0.0000 ( 1612 PWs) bands (ev): -31.6185 -31.6185 -12.6599 -12.6599 -11.3014 -11.3014 -11.1446 -11.1446 -3.5570 -3.5570 -3.5376 -3.5376 -2.7377 -2.7377 -2.7040 -2.7040 -2.6242 -2.6242 6.0985 6.0985 9.5969 9.5969 9.9152 9.9152 11.1348 11.1348 13.3847 13.3847 13.5073 13.5073 15.8908 15.8908 k = 0.4524 0.5000-0.0000 ( 1612 PWs) bands (ev): -31.6183 -31.6183 -12.6604 -12.6604 -11.3023 -11.3023 -11.1446 -11.1446 -3.5571 -3.5571 -3.5378 -3.5378 -2.7384 -2.7384 -2.7040 -2.7040 -2.6235 -2.6235 6.1072 6.1072 9.6703 9.6703 9.8928 9.8928 11.0715 11.0715 13.4140 13.4140 13.4954 13.4954 15.9060 15.9060 k = 0.4643 0.5000-0.0000 ( 1612 PWs) bands (ev): -31.6182 -31.6182 -12.6609 -12.6609 -11.3031 -11.3031 -11.1447 -11.1447 -3.5572 -3.5572 -3.5379 -3.5379 -2.7389 -2.7389 -2.7040 -2.7040 -2.6230 -2.6230 6.1140 6.1140 9.7307 9.7307 9.8782 9.8782 11.0157 11.0157 13.4366 13.4366 13.4869 13.4869 15.9179 15.9179 k = 0.4762 0.5000-0.0000 ( 1612 PWs) bands (ev): -31.6181 -31.6181 -12.6612 -12.6612 -11.3037 -11.3037 -11.1447 -11.1447 -3.5573 -3.5573 -3.5380 -3.5380 -2.7393 -2.7393 -2.7040 -2.7040 -2.6226 -2.6226 6.1190 6.1190 9.7723 9.7723 9.8738 9.8738 10.9711 10.9711 13.4514 13.4514 13.4825 13.4825 15.9261 15.9261 k = 0.4881 0.5000-0.0000 ( 1620 PWs) bands (ev): -31.6181 -31.6181 -12.6614 -12.6614 -11.3040 -11.3040 -11.1447 -11.1447 -3.5574 -3.5574 -3.5381 -3.5381 -2.7395 -2.7395 -2.7040 -2.7040 -2.6224 -2.6224 6.1220 6.1220 9.7920 9.7920 9.8786 9.8786 10.9421 10.9421 13.4580 13.4580 13.4825 13.4825 15.9309 15.9309 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -31.6181 -31.6181 -12.6614 -12.6614 -11.3041 -11.3041 -11.1448 -11.1448 -3.5574 -3.5574 -3.5381 -3.5381 -2.7396 -2.7396 -2.7040 -2.7040 -2.6223 -2.6223 6.1230 6.1230 9.7968 9.7968 9.8824 9.8824 10.9320 10.9320 13.4593 13.4593 13.4833 13.4833 15.9324 15.9324 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -31.6181 -31.6181 -12.6614 -12.6614 -11.3041 -11.3041 -11.1448 -11.1448 -3.5574 -3.5574 -3.5381 -3.5381 -2.7396 -2.7396 -2.7040 -2.7040 -2.6223 -2.6223 6.1230 6.1230 9.7968 9.7968 9.8824 9.8824 10.9320 10.9320 13.4593 13.4593 13.4833 13.4833 15.9324 15.9324 k = 0.4917 0.4917-0.0000 ( 1620 PWs) bands (ev): -31.6181 -31.6181 -12.6614 -12.6614 -11.3040 -11.3040 -11.1447 -11.1447 -3.5574 -3.5574 -3.5381 -3.5381 -2.7395 -2.7395 -2.7040 -2.7040 -2.6224 -2.6224 6.1220 6.1220 9.7924 9.7924 9.8784 9.8784 10.9419 10.9419 13.4581 13.4581 13.4824 13.4824 15.9309 15.9309 k = 0.4833 0.4833-0.0000 ( 1612 PWs) bands (ev): -31.6181 -31.6181 -12.6612 -12.6612 -11.3037 -11.3037 -11.1447 -11.1447 -3.5573 -3.5573 -3.5380 -3.5380 -2.7393 -2.7393 -2.7040 -2.7040 -2.6226 -2.6226 6.1190 6.1190 9.7768 9.7768 9.8698 9.8698 10.9706 10.9706 13.4532 13.4532 13.4809 13.4809 15.9262 15.9262 k = 0.4750 0.4750-0.0000 ( 1612 PWs) bands (ev): -31.6182 -31.6182 -12.6609 -12.6609 -11.3031 -11.3031 -11.1447 -11.1447 -3.5573 -3.5573 -3.5379 -3.5379 -2.7389 -2.7389 -2.7040 -2.7040 -2.6230 -2.6230 6.1139 6.1139 9.7464 9.7464 9.8634 9.8634 11.0150 11.0150 13.4423 13.4423 13.4815 13.4815 15.9179 15.9179 k = 0.4667 0.4667-0.0000 ( 1612 PWs) bands (ev): -31.6183 -31.6183 -12.6604 -12.6604 -11.3024 -11.3024 -11.1446 -11.1446 -3.5571 -3.5571 -3.5378 -3.5378 -2.7384 -2.7384 -2.7040 -2.7040 -2.6235 -2.6235 6.1066 6.1066 9.7022 9.7022 9.8619 9.8619 11.0714 11.0714 13.4252 13.4252 13.4848 13.4848 15.9057 15.9057 k = 0.4583 0.4583-0.0000 ( 1612 PWs) bands (ev): -31.6185 -31.6185 -12.6599 -12.6599 -11.3014 -11.3014 -11.1446 -11.1446 -3.5570 -3.5570 -3.5377 -3.5377 -2.7378 -2.7378 -2.7040 -2.7040 -2.6242 -2.6242 6.0969 6.0969 9.6488 9.6488 9.8643 9.8643 11.1363 11.1363 13.4028 13.4028 13.4901 13.4901 15.8896 15.8896 k = 0.4500 0.4500-0.0000 ( 1612 PWs) bands (ev): -31.6186 -31.6186 -12.6592 -12.6592 -11.3002 -11.3002 -11.1445 -11.1445 -3.5568 -3.5568 -3.5375 -3.5375 -2.7370 -2.7370 -2.7040 -2.7040 -2.6250 -2.6250 6.0845 6.0845 9.5905 9.5905 9.8694 9.8694 11.2066 11.2066 13.3761 13.3761 13.4971 13.4971 15.8696 15.8696 k = 0.4417 0.4417-0.0000 ( 1608 PWs) bands (ev): -31.6188 -31.6188 -12.6584 -12.6584 -11.2987 -11.2987 -11.1444 -11.1444 -3.5566 -3.5566 -3.5372 -3.5372 -2.7361 -2.7361 -2.7040 -2.7040 -2.6260 -2.6260 6.0693 6.0693 9.5307 9.5307 9.8766 9.8766 11.2798 11.2798 13.3458 13.3458 13.5057 13.5057 15.8460 15.8460 k = 0.4333 0.4333-0.0000 ( 1608 PWs) bands (ev): -31.6191 -31.6191 -12.6575 -12.6575 -11.2971 -11.2971 -11.1443 -11.1443 -3.5564 -3.5564 -3.5370 -3.5370 -2.7350 -2.7350 -2.7040 -2.7040 -2.6271 -2.6271 6.0508 6.0508 9.4716 9.4716 9.8855 9.8855 11.3541 11.3541 13.3127 13.3127 13.5157 13.5157 15.8192 15.8192 k = 0.4250 0.4250-0.0000 ( 1608 PWs) bands (ev): -31.6193 -31.6193 -12.6565 -12.6565 -11.2952 -11.2952 -11.1442 -11.1442 -3.5562 -3.5562 -3.5367 -3.5367 -2.7339 -2.7339 -2.7041 -2.7041 -2.6283 -2.6283 6.0289 6.0289 9.4151 9.4151 9.8959 9.8959 11.4280 11.4280 13.2773 13.2773 13.5270 13.5270 15.7897 15.7897 k = 0.4167 0.4167-0.0000 ( 1600 PWs) bands (ev): -31.6196 -31.6196 -12.6554 -12.6554 -11.2932 -11.2932 -11.1440 -11.1440 -3.5559 -3.5559 -3.5365 -3.5365 -2.7326 -2.7326 -2.7041 -2.7041 -2.6297 -2.6297 6.0033 6.0033 9.3628 9.3628 9.9077 9.9077 11.5003 11.5003 13.2403 13.2403 13.5398 13.5398 15.7577 15.7577 k = 0.4083 0.4083-0.0000 ( 1596 PWs) bands (ev): -31.6199 -31.6199 -12.6542 -12.6542 -11.2909 -11.2909 -11.1438 -11.1438 -3.5556 -3.5556 -3.5362 -3.5362 -2.7313 -2.7313 -2.7041 -2.7041 -2.6312 -2.6312 5.9736 5.9736 9.3156 9.3156 9.9208 9.9208 11.5700 11.5700 13.2023 13.2023 13.5538 13.5538 15.7236 15.7236 k = 0.4000 0.4000-0.0000 ( 1606 PWs) bands (ev): -31.6203 -31.6203 -12.6528 -12.6528 -11.2884 -11.2884 -11.1436 -11.1436 -3.5553 -3.5553 -3.5359 -3.5359 -2.7298 -2.7298 -2.7042 -2.7042 -2.6328 -2.6328 5.9398 5.9398 9.2746 9.2746 9.9351 9.9351 11.6363 11.6363 13.1638 13.1638 13.5692 13.5692 15.6878 15.6878 k = 0.3917 0.3917-0.0000 ( 1604 PWs) bands (ev): -31.6207 -31.6207 -12.6514 -12.6514 -11.2858 -11.2858 -11.1434 -11.1434 -3.5551 -3.5551 -3.5356 -3.5356 -2.7283 -2.7283 -2.7043 -2.7043 -2.6345 -2.6345 5.9015 5.9015 9.2405 9.2405 9.9506 9.9506 11.6989 11.6989 13.1253 13.1253 13.5858 13.5858 15.6506 15.6506 k = 0.3833 0.3833-0.0000 ( 1604 PWs) bands (ev): -31.6211 -31.6211 -12.6498 -12.6498 -11.2829 -11.2829 -11.1431 -11.1431 -3.5548 -3.5548 -3.5353 -3.5353 -2.7266 -2.7266 -2.7043 -2.7043 -2.6363 -2.6363 5.8587 5.8587 9.2138 9.2138 9.9673 9.9673 11.7571 11.7571 13.0872 13.0872 13.6036 13.6036 15.6123 15.6123 k = 0.3750 0.3750-0.0000 ( 1604 PWs) bands (ev): -31.6215 -31.6215 -12.6482 -12.6482 -11.2799 -11.2799 -11.1429 -11.1429 -3.5545 -3.5545 -3.5351 -3.5351 -2.7250 -2.7250 -2.7044 -2.7044 -2.6383 -2.6383 5.8114 5.8114 9.1950 9.1950 9.9851 9.9851 11.8107 11.8107 13.0499 13.0499 13.6227 13.6227 15.5732 15.5732 k = 0.3667 0.3667-0.0000 ( 1604 PWs) bands (ev): -31.6220 -31.6220 -12.6464 -12.6464 -11.2767 -11.2767 -11.1426 -11.1426 -3.5542 -3.5542 -3.5349 -3.5349 -2.7232 -2.7232 -2.7045 -2.7045 -2.6403 -2.6403 5.7596 5.7596 9.1842 9.1842 10.0040 10.0040 11.8595 11.8595 13.0139 13.0139 13.6430 13.6430 15.5335 15.5335 k = 0.3583 0.3583-0.0000 ( 1604 PWs) bands (ev): -31.6224 -31.6224 -12.6446 -12.6446 -11.2733 -11.2733 -11.1422 -11.1422 -3.5539 -3.5539 -3.5346 -3.5346 -2.7214 -2.7214 -2.7046 -2.7046 -2.6424 -2.6424 5.7035 5.7035 9.1817 9.1817 10.0239 10.0239 11.9032 11.9032 12.9794 12.9794 13.6644 13.6644 15.4935 15.4935 k = 0.3500 0.3500-0.0000 ( 1608 PWs) bands (ev): -31.6229 -31.6229 -12.6426 -12.6426 -11.2697 -11.2697 -11.1419 -11.1419 -3.5537 -3.5537 -3.5345 -3.5345 -2.7196 -2.7196 -2.7047 -2.7047 -2.6446 -2.6446 5.6432 5.6432 9.1873 9.1873 10.0448 10.0448 11.9420 11.9420 12.9467 12.9467 13.6870 13.6870 15.4532 15.4532 k = 0.3417 0.3417-0.0000 ( 1608 PWs) bands (ev): -31.6235 -31.6235 -12.6406 -12.6406 -11.2659 -11.2659 -11.1415 -11.1415 -3.5534 -3.5534 -3.5344 -3.5344 -2.7178 -2.7178 -2.7048 -2.7048 -2.6469 -2.6469 5.5792 5.5792 9.2011 9.2011 10.0666 10.0666 11.9759 11.9759 12.9160 12.9160 13.7107 13.7107 15.4130 15.4130 k = 0.3333 0.3333-0.0000 ( 1614 PWs) bands (ev): -31.6240 -31.6240 -12.6385 -12.6385 -11.2621 -11.2621 -11.1410 -11.1410 -3.5532 -3.5532 -3.5343 -3.5343 -2.7160 -2.7160 -2.7049 -2.7049 -2.6492 -2.6492 5.5117 5.5117 9.2227 9.2227 10.0893 10.0893 12.0049 12.0049 12.8877 12.8877 13.7354 13.7354 15.3728 15.3728 k = 0.3250 0.3250-0.0000 ( 1608 PWs) bands (ev): -31.6245 -31.6245 -12.6364 -12.6364 -11.2580 -11.2580 -11.1405 -11.1405 -3.5530 -3.5530 -3.5342 -3.5342 -2.7143 -2.7143 -2.7049 -2.7049 -2.6516 -2.6516 5.4410 5.4410 9.2520 9.2520 10.1129 10.1129 12.0292 12.0292 12.8618 12.8618 13.7611 13.7611 15.3329 15.3329 k = 0.3167 0.3167-0.0000 ( 1608 PWs) bands (ev): -31.6251 -31.6251 -12.6341 -12.6341 -11.2538 -11.2538 -11.1400 -11.1400 -3.5528 -3.5528 -3.5343 -3.5343 -2.7127 -2.7127 -2.7049 -2.7049 -2.6541 -2.6541 5.3676 5.3676 9.2885 9.2885 10.1374 10.1374 12.0492 12.0492 12.8386 12.8386 13.7879 13.7879 15.2933 15.2933 k = 0.3083 0.3083-0.0000 ( 1608 PWs) bands (ev): -31.6257 -31.6257 -12.6318 -12.6318 -11.2495 -11.2495 -11.1395 -11.1395 -3.5526 -3.5526 -3.5343 -3.5343 -2.7114 -2.7114 -2.7046 -2.7046 -2.6566 -2.6566 5.2919 5.2919 9.3320 9.3320 10.1626 10.1626 12.0651 12.0651 12.8183 12.8183 13.8156 13.8156 15.2541 15.2541 k = 0.3000 0.3000-0.0000 ( 1604 PWs) bands (ev): -31.6263 -31.6263 -12.6295 -12.6295 -11.2451 -11.2451 -11.1389 -11.1389 -3.5525 -3.5525 -3.5345 -3.5345 -2.7104 -2.7104 -2.7040 -2.7040 -2.6591 -2.6591 5.2144 5.2144 9.3821 9.3821 10.1885 10.1885 12.0773 12.0773 12.8009 12.8009 13.8441 13.8441 15.2154 15.2154 k = 0.2917 0.2917-0.0000 ( 1604 PWs) bands (ev): -31.6269 -31.6269 -12.6271 -12.6271 -11.2406 -11.2406 -11.1383 -11.1383 -3.5524 -3.5524 -3.5347 -3.5347 -2.7098 -2.7098 -2.7030 -2.7030 -2.6616 -2.6616 5.1353 5.1353 9.4382 9.4382 10.2151 10.2151 12.0861 12.0861 12.7866 12.7866 13.8735 13.8735 15.1771 15.1771 k = 0.2833 0.2833-0.0000 ( 1602 PWs) bands (ev): -31.6275 -31.6275 -12.6246 -12.6246 -11.2359 -11.2359 -11.1377 -11.1377 -3.5524 -3.5524 -3.5350 -3.5350 -2.7097 -2.7097 -2.7018 -2.7018 -2.6642 -2.6642 5.0551 5.0551 9.5001 9.5001 10.2424 10.2424 12.0920 12.0920 12.7755 12.7755 13.9037 13.9037 15.1394 15.1394 k = 0.2750 0.2750-0.0000 ( 1602 PWs) bands (ev): -31.6281 -31.6281 -12.6221 -12.6221 -11.2312 -11.2312 -11.1370 -11.1370 -3.5523 -3.5523 -3.5353 -3.5353 -2.7097 -2.7097 -2.7003 -2.7003 -2.6667 -2.6667 4.9742 4.9742 9.5671 9.5671 10.2702 10.2702 12.0955 12.0955 12.7677 12.7677 13.9347 13.9347 15.1022 15.1022 k = 0.2667 0.2667-0.0000 ( 1602 PWs) bands (ev): -31.6287 -31.6287 -12.6196 -12.6196 -11.2264 -11.2264 -11.1363 -11.1363 -3.5523 -3.5523 -3.5358 -3.5358 -2.7100 -2.7100 -2.6988 -2.6988 -2.6693 -2.6693 4.8930 4.8930 9.6388 9.6388 10.2987 10.2987 12.0972 12.0972 12.7633 12.7633 13.9662 13.9662 15.0656 15.0656 k = 0.2583 0.2583-0.0000 ( 1590 PWs) bands (ev): -31.6293 -31.6293 -12.6170 -12.6170 -11.2215 -11.2215 -11.1355 -11.1355 -3.5524 -3.5524 -3.5363 -3.5363 -2.7103 -2.7103 -2.6973 -2.6973 -2.6718 -2.6718 4.8117 4.8117 9.7147 9.7147 10.3276 10.3276 12.0975 12.0975 12.7623 12.7623 13.9984 13.9984 15.0295 15.0295 k = 0.2500 0.2500-0.0000 ( 1582 PWs) bands (ev): -31.6299 -31.6299 -12.6145 -12.6145 -11.2166 -11.2166 -11.1348 -11.1348 -3.5525 -3.5525 -3.5368 -3.5368 -2.7108 -2.7108 -2.6958 -2.6958 -2.6742 -2.6742 4.7307 4.7307 9.7943 9.7943 10.3569 10.3569 12.0970 12.0970 12.7648 12.7648 14.0312 14.0312 14.9939 14.9939 k = 0.2417 0.2417-0.0000 ( 1588 PWs) bands (ev): -31.6305 -31.6305 -12.6119 -12.6119 -11.2116 -11.2116 -11.1340 -11.1340 -3.5526 -3.5526 -3.5375 -3.5375 -2.7112 -2.7112 -2.6945 -2.6945 -2.6766 -2.6766 4.6503 4.6503 9.8769 9.8769 10.3867 10.3867 12.0965 12.0965 12.7709 12.7709 14.0643 14.0643 14.9589 14.9589 k = 0.2333 0.2333-0.0000 ( 1588 PWs) bands (ev): -31.6312 -31.6312 -12.6093 -12.6093 -11.2066 -11.2066 -11.1331 -11.1331 -3.5527 -3.5527 -3.5382 -3.5382 -2.7118 -2.7118 -2.6934 -2.6934 -2.6787 -2.6787 4.5707 4.5707 9.9618 9.9618 10.4169 10.4169 12.0966 12.0966 12.7805 12.7805 14.0979 14.0979 14.9244 14.9244 k = 0.2250 0.2250-0.0000 ( 1588 PWs) bands (ev): -31.6318 -31.6318 -12.6067 -12.6067 -11.2016 -11.2016 -11.1323 -11.1323 -3.5529 -3.5529 -3.5389 -3.5389 -2.7124 -2.7124 -2.6926 -2.6926 -2.6806 -2.6806 4.4922 4.4922 10.0483 10.0483 10.4474 10.4474 12.0981 12.0981 12.7938 12.7938 14.1317 14.1317 14.8903 14.8903 k = 0.2167 0.2167-0.0000 ( 1588 PWs) bands (ev): -31.6324 -31.6324 -12.6041 -12.6041 -11.1966 -11.1966 -11.1314 -11.1314 -3.5531 -3.5531 -3.5397 -3.5397 -2.7130 -2.7130 -2.6924 -2.6924 -2.6820 -2.6820 4.4150 4.4150 10.1356 10.1356 10.4783 10.4783 12.1018 12.1018 12.8108 12.8108 14.1658 14.1658 14.8567 14.8567 k = 0.2083 0.2083-0.0000 ( 1588 PWs) bands (ev): -31.6330 -31.6330 -12.6016 -12.6016 -11.1917 -11.1917 -11.1305 -11.1305 -3.5534 -3.5534 -3.5406 -3.5406 -2.7136 -2.7136 -2.6929 -2.6929 -2.6826 -2.6826 4.3394 4.3394 10.2227 10.2227 10.5096 10.5096 12.1087 12.1087 12.8315 12.8315 14.1999 14.1999 14.8237 14.8237 k = 0.2000 0.2000-0.0000 ( 1590 PWs) bands (ev): -31.6337 -31.6337 -12.5990 -12.5990 -11.1867 -11.1867 -11.1296 -11.1296 -3.5537 -3.5537 -3.5416 -3.5416 -2.7143 -2.7143 -2.6941 -2.6941 -2.6826 -2.6826 4.2654 4.2654 10.3083 10.3083 10.5414 10.5414 12.1197 12.1197 12.8558 12.8558 14.2341 14.2341 14.7910 14.7910 k = 0.1917 0.1917-0.0000 ( 1594 PWs) bands (ev): -31.6343 -31.6343 -12.5965 -12.5965 -11.1818 -11.1818 -11.1287 -11.1287 -3.5540 -3.5540 -3.5425 -3.5425 -2.7149 -2.7149 -2.6958 -2.6958 -2.6821 -2.6821 4.1934 4.1934 10.3911 10.3911 10.5739 10.5739 12.1361 12.1361 12.8839 12.8839 14.2682 14.2682 14.7589 14.7589 k = 0.1833 0.1833-0.0000 ( 1598 PWs) bands (ev): -31.6349 -31.6349 -12.5940 -12.5940 -11.1770 -11.1770 -11.1278 -11.1278 -3.5543 -3.5543 -3.5436 -3.5436 -2.7156 -2.7156 -2.6977 -2.6977 -2.6813 -2.6813 4.1234 4.1234 10.4693 10.4693 10.6077 10.6077 12.1589 12.1589 12.9157 12.9157 14.3021 14.3021 14.7273 14.7273 k = 0.1750 0.1750-0.0000 ( 1606 PWs) bands (ev): -31.6355 -31.6355 -12.5916 -12.5916 -11.1722 -11.1722 -11.1268 -11.1268 -3.5546 -3.5546 -3.5446 -3.5446 -2.7164 -2.7164 -2.6998 -2.6998 -2.6805 -2.6805 4.0557 4.0557 10.5403 10.5403 10.6441 10.6441 12.1893 12.1893 12.9511 12.9511 14.3357 14.3357 14.6962 14.6962 k = 0.1667 0.1667-0.0000 ( 1602 PWs) bands (ev): -31.6360 -31.6360 -12.5893 -12.5893 -11.1675 -11.1675 -11.1259 -11.1259 -3.5550 -3.5550 -3.5457 -3.5457 -2.7171 -2.7171 -2.7019 -2.7019 -2.6797 -2.6797 3.9903 3.9903 10.6009 10.6009 10.6852 10.6852 12.2284 12.2284 12.9903 12.9903 14.3688 14.3688 14.6657 14.6657 k = 0.1583 0.1583-0.0000 ( 1602 PWs) bands (ev): -31.6366 -31.6366 -12.5869 -12.5869 -11.1629 -11.1629 -11.1250 -11.1250 -3.5554 -3.5554 -3.5468 -3.5468 -2.7178 -2.7178 -2.7040 -2.7040 -2.6789 -2.6789 3.9274 3.9274 10.6492 10.6492 10.7314 10.7314 12.2771 12.2771 13.0332 13.0332 14.4014 14.4014 14.6358 14.6358 k = 0.1500 0.1500-0.0000 ( 1608 PWs) bands (ev): -31.6371 -31.6371 -12.5847 -12.5847 -11.1585 -11.1585 -11.1241 -11.1241 -3.5558 -3.5558 -3.5479 -3.5479 -2.7185 -2.7185 -2.7060 -2.7060 -2.6781 -2.6781 3.8670 3.8670 10.6881 10.6881 10.7793 10.7793 12.3360 12.3360 13.0798 13.0798 14.4333 14.4333 14.6067 14.6067 k = 0.1417 0.1417-0.0000 ( 1604 PWs) bands (ev): -31.6376 -31.6376 -12.5825 -12.5825 -11.1542 -11.1542 -11.1232 -11.1232 -3.5562 -3.5562 -3.5490 -3.5490 -2.7192 -2.7192 -2.7080 -2.7080 -2.6773 -2.6773 3.8094 3.8094 10.7217 10.7217 10.8244 10.8244 12.4054 12.4054 13.1301 13.1301 14.4641 14.4641 14.5787 14.5787 k = 0.1333 0.1333-0.0000 ( 1610 PWs) bands (ev): -31.6381 -31.6381 -12.5805 -12.5805 -11.1500 -11.1500 -11.1224 -11.1224 -3.5566 -3.5566 -3.5501 -3.5501 -2.7199 -2.7199 -2.7099 -2.7099 -2.6766 -2.6766 3.7546 3.7546 10.7521 10.7521 10.8642 10.8642 12.4850 12.4850 13.1840 13.1840 14.4932 14.4932 14.5523 14.5523 k = 0.1250 0.1250-0.0000 ( 1619 PWs) bands (ev): -31.6386 -31.6386 -12.5785 -12.5785 -11.1460 -11.1460 -11.1215 -11.1215 -3.5570 -3.5570 -3.5512 -3.5512 -2.7206 -2.7206 -2.7118 -2.7118 -2.6760 -2.6760 3.7027 3.7027 10.7806 10.7806 10.8977 10.8977 12.5742 12.5742 13.2417 13.2417 14.5120 14.5120 14.5364 14.5364 k = 0.1167 0.1167-0.0000 ( 1613 PWs) bands (ev): -31.6390 -31.6390 -12.5766 -12.5766 -11.1422 -11.1422 -11.1207 -11.1207 -3.5574 -3.5574 -3.5522 -3.5522 -2.7212 -2.7212 -2.7135 -2.7135 -2.6754 -2.6754 3.6538 3.6538 10.8075 10.8075 10.9252 10.9252 12.6720 12.6720 13.3030 13.3030 14.4952 14.4952 14.5560 14.5560 k = 0.1083 0.1083-0.0000 ( 1605 PWs) bands (ev): -31.6394 -31.6394 -12.5748 -12.5748 -11.1386 -11.1386 -11.1199 -11.1199 -3.5577 -3.5577 -3.5532 -3.5532 -2.7219 -2.7219 -2.7152 -2.7152 -2.6748 -2.6748 3.6079 3.6079 10.8330 10.8330 10.9472 10.9472 12.7773 12.7773 13.3681 13.3681 14.4723 14.4723 14.5819 14.5819 k = 0.1000 0.1000-0.0000 ( 1601 PWs) bands (ev): -31.6398 -31.6398 -12.5731 -12.5731 -11.1352 -11.1352 -11.1192 -11.1192 -3.5581 -3.5581 -3.5542 -3.5542 -2.7225 -2.7225 -2.7168 -2.7168 -2.6743 -2.6743 3.5652 3.5652 10.8570 10.8570 10.9644 10.9644 12.8884 12.8884 13.4371 13.4371 14.4502 14.4502 14.6071 14.6071 k = 0.0917 0.0917-0.0000 ( 1605 PWs) bands (ev): -31.6402 -31.6402 -12.5715 -12.5715 -11.1320 -11.1320 -11.1185 -11.1185 -3.5585 -3.5585 -3.5552 -3.5552 -2.7230 -2.7230 -2.7183 -2.7183 -2.6739 -2.6739 3.5257 3.5257 10.8796 10.8796 10.9774 10.9774 13.0038 13.0038 13.5099 13.5099 14.4299 14.4299 14.6309 14.6309 k = 0.0833 0.0833-0.0000 ( 1601 PWs) bands (ev): -31.6405 -31.6405 -12.5701 -12.5701 -11.1291 -11.1291 -11.1178 -11.1178 -3.5588 -3.5588 -3.5560 -3.5560 -2.7236 -2.7236 -2.7196 -2.7196 -2.6735 -2.6735 3.4894 3.4894 10.9006 10.9006 10.9872 10.9872 13.1217 13.1217 13.5870 13.5870 14.4116 14.4116 14.6532 14.6532 k = 0.0750 0.0750-0.0000 ( 1595 PWs) bands (ev): -31.6408 -31.6408 -12.5688 -12.5688 -11.1264 -11.1264 -11.1172 -11.1172 -3.5591 -3.5591 -3.5569 -3.5569 -2.7241 -2.7241 -2.7209 -2.7209 -2.6731 -2.6731 3.4564 3.4564 10.9201 10.9201 10.9943 10.9943 13.2401 13.2401 13.6684 13.6684 14.3959 14.3959 14.6738 14.6738 k = 0.0667 0.0667-0.0000 ( 1593 PWs) bands (ev): -31.6410 -31.6410 -12.5676 -12.5676 -11.1240 -11.1240 -11.1167 -11.1167 -3.5594 -3.5594 -3.5576 -3.5576 -2.7245 -2.7245 -2.7220 -2.7220 -2.6728 -2.6728 3.4268 3.4268 10.9378 10.9378 10.9993 10.9993 13.3567 13.3567 13.7546 13.7546 14.3834 14.3834 14.6925 14.6925 k = 0.0583 0.0583-0.0000 ( 1593 PWs) bands (ev): -31.6413 -31.6413 -12.5665 -12.5665 -11.1218 -11.1218 -11.1162 -11.1162 -3.5597 -3.5597 -3.5583 -3.5583 -2.7250 -2.7250 -2.7230 -2.7230 -2.6726 -2.6726 3.4006 3.4006 10.9537 10.9537 11.0027 11.0027 13.4690 13.4690 13.8459 13.8459 14.3749 14.3749 14.7092 14.7092 k = 0.0500 0.0500-0.0000 ( 1593 PWs) bands (ev): -31.6415 -31.6415 -12.5656 -12.5656 -11.1199 -11.1199 -11.1157 -11.1157 -3.5599 -3.5599 -3.5589 -3.5589 -2.7253 -2.7253 -2.7239 -2.7239 -2.6723 -2.6723 3.3778 3.3778 10.9678 10.9678 11.0049 11.0049 13.5741 13.5741 13.9424 13.9424 14.3712 14.3712 14.7238 14.7238 k = 0.0417 0.0417-0.0000 ( 1587 PWs) bands (ev): -31.6416 -31.6416 -12.5648 -12.5648 -11.1182 -11.1182 -11.1154 -11.1154 -3.5602 -3.5602 -3.5594 -3.5594 -2.7256 -2.7256 -2.7246 -2.7246 -2.6722 -2.6722 3.3584 3.3584 10.9798 10.9798 11.0063 11.0063 13.6691 13.6691 14.0436 14.0436 14.3736 14.3736 14.7361 14.7361 k = 0.0333 0.0333-0.0000 ( 1587 PWs) bands (ev): -31.6418 -31.6418 -12.5641 -12.5641 -11.1169 -11.1169 -11.1150 -11.1150 -3.5603 -3.5603 -3.5599 -3.5599 -2.7259 -2.7259 -2.7253 -2.7253 -2.6720 -2.6720 3.3426 3.3426 10.9898 10.9898 11.0071 11.0071 13.7513 13.7513 14.1477 14.1477 14.3837 14.3837 14.7459 14.7459 k = 0.0250 0.0250-0.0000 ( 1581 PWs) bands (ev): -31.6419 -31.6419 -12.5636 -12.5636 -11.1158 -11.1158 -11.1148 -11.1148 -3.5605 -3.5605 -3.5602 -3.5602 -2.7261 -2.7261 -2.7257 -2.7257 -2.6719 -2.6719 3.3302 3.3302 10.9976 10.9976 11.0075 11.0075 13.8178 13.8178 14.2519 14.2519 14.4022 14.4022 14.7526 14.7526 k = 0.0167 0.0167-0.0000 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5632 -12.5632 -11.1151 -11.1151 -11.1146 -11.1146 -3.5606 -3.5606 -3.5604 -3.5604 -2.7262 -2.7262 -2.7261 -2.7261 -2.6718 -2.6718 3.3213 3.3213 11.0032 11.0032 11.0077 11.0077 13.8664 13.8664 14.3505 14.3505 14.4282 14.4282 14.7550 14.7550 k = 0.0083 0.0083-0.0000 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5630 -12.5630 -11.1146 -11.1146 -11.1145 -11.1145 -3.5606 -3.5606 -3.5606 -3.5606 -2.7263 -2.7263 -2.7263 -2.7263 -2.6718 -2.6718 3.3160 3.3160 11.0066 11.0066 11.0078 11.0078 13.8959 13.8959 14.4317 14.4317 14.4548 14.4548 14.7492 14.7492 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5629 -12.5629 -11.1145 -11.1145 -11.1145 -11.1145 -3.5606 -3.5606 -3.5606 -3.5606 -2.7264 -2.7264 -2.7264 -2.7264 -2.6718 -2.6718 3.3143 3.3143 11.0078 11.0078 11.0078 11.0078 13.9057 13.9057 14.4673 14.4673 14.4673 14.4673 14.7406 14.7406 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5629 -12.5629 -11.1145 -11.1145 -11.1145 -11.1145 -3.5606 -3.5606 -3.5606 -3.5606 -2.7264 -2.7264 -2.7264 -2.7264 -2.6718 -2.6718 3.3143 3.3143 11.0078 11.0078 11.0078 11.0078 13.9057 13.9057 14.4673 14.4673 14.4673 14.4673 14.7406 14.7406 k = 0.0068 0.0068 0.0068 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5630 -12.5630 -11.1146 -11.1146 -11.1146 -11.1146 -3.5606 -3.5606 -3.5606 -3.5606 -2.7263 -2.7263 -2.7263 -2.7263 -2.6718 -2.6718 3.3161 3.3161 11.0071 11.0071 11.0073 11.0073 13.8957 13.8957 14.4310 14.4310 14.4550 14.4550 14.7531 14.7531 k = 0.0137 0.0137 0.0137 ( 1575 PWs) bands (ev): -31.6420 -31.6420 -12.5632 -12.5632 -11.1149 -11.1149 -11.1148 -11.1148 -3.5605 -3.5605 -3.5605 -3.5605 -2.7262 -2.7262 -2.7261 -2.7261 -2.6718 -2.6718 3.3214 3.3214 11.0049 11.0049 11.0060 11.0060 13.8653 13.8653 14.3532 14.3532 14.4232 14.4232 14.7852 14.7852 k = 0.0205 0.0205 0.0205 ( 1581 PWs) bands (ev): -31.6419 -31.6419 -12.5636 -12.5636 -11.1154 -11.1154 -11.1152 -11.1152 -3.5604 -3.5604 -3.5603 -3.5603 -2.7260 -2.7260 -2.7259 -2.7259 -2.6719 -2.6719 3.3304 3.3304 11.0014 11.0014 11.0037 11.0037 13.8132 13.8132 14.2671 14.2671 14.3801 14.3801 14.8122 14.8122 k = 0.0274 0.0274 0.0274 ( 1593 PWs) bands (ev): -31.6418 -31.6418 -12.5641 -12.5641 -11.1162 -11.1162 -11.1158 -11.1158 -3.5602 -3.5602 -3.5600 -3.5600 -2.7257 -2.7257 -2.7255 -2.7255 -2.6720 -2.6720 3.3429 3.3429 10.9965 10.9965 11.0006 11.0006 13.7392 13.7392 14.1859 14.1859 14.3308 14.3308 14.8438 14.8438 k = 0.0342 0.0342 0.0342 ( 1587 PWs) bands (ev): -31.6416 -31.6416 -12.5648 -12.5648 -11.1171 -11.1171 -11.1165 -11.1165 -3.5599 -3.5599 -3.5596 -3.5596 -2.7253 -2.7253 -2.7250 -2.7250 -2.6722 -2.6722 3.3590 3.3590 10.9903 10.9903 10.9966 10.9966 13.6451 13.6451 14.1135 14.1135 14.2781 14.2781 14.8808 14.8808 k = 0.0411 0.0411 0.0411 ( 1587 PWs) bands (ev): -31.6415 -31.6415 -12.5656 -12.5656 -11.1182 -11.1182 -11.1174 -11.1174 -3.5596 -3.5596 -3.5592 -3.5592 -2.7248 -2.7248 -2.7244 -2.7244 -2.6724 -2.6724 3.3786 3.3786 10.9829 10.9829 10.9918 10.9918 13.5355 13.5355 14.0491 14.0491 14.2232 14.2232 14.9229 14.9229 k = 0.0479 0.0479 0.0479 ( 1593 PWs) bands (ev): -31.6413 -31.6413 -12.5665 -12.5665 -11.1196 -11.1196 -11.1185 -11.1185 -3.5592 -3.5592 -3.5587 -3.5587 -2.7242 -2.7242 -2.7237 -2.7237 -2.6726 -2.6726 3.4017 3.4017 10.9742 10.9742 10.9862 10.9862 13.4153 13.4153 13.9901 13.9901 14.1667 14.1667 14.9695 14.9695 k = 0.0548 0.0548 0.0548 ( 1593 PWs) bands (ev): -31.6410 -31.6410 -12.5676 -12.5676 -11.1211 -11.1211 -11.1197 -11.1197 -3.5588 -3.5588 -3.5582 -3.5582 -2.7235 -2.7235 -2.7229 -2.7229 -2.6729 -2.6729 3.4282 3.4282 10.9643 10.9643 10.9799 10.9799 13.2886 13.2886 13.9342 13.9342 14.1090 14.1090 15.0199 15.0199 k = 0.0616 0.0616 0.0616 ( 1599 PWs) bands (ev): -31.6407 -31.6407 -12.5688 -12.5688 -11.1228 -11.1228 -11.1211 -11.1211 -3.5584 -3.5584 -3.5576 -3.5576 -2.7228 -2.7228 -2.7221 -2.7221 -2.6732 -2.6732 3.4582 3.4582 10.9534 10.9534 10.9729 10.9729 13.1587 13.1587 13.8799 13.8799 14.0503 14.0503 15.0737 15.0737 k = 0.0685 0.0685 0.0685 ( 1599 PWs) bands (ev): -31.6404 -31.6404 -12.5702 -12.5702 -11.1247 -11.1247 -11.1226 -11.1226 -3.5578 -3.5578 -3.5570 -3.5570 -2.7220 -2.7220 -2.7211 -2.7211 -2.6736 -2.6736 3.4916 3.4916 10.9415 10.9415 10.9653 10.9653 13.0274 13.0274 13.8260 13.8260 13.9908 13.9908 15.1304 15.1304 k = 0.0753 0.0753 0.0753 ( 1608 PWs) bands (ev): -31.6401 -31.6401 -12.5717 -12.5717 -11.1267 -11.1267 -11.1243 -11.1243 -3.5573 -3.5573 -3.5563 -3.5563 -2.7211 -2.7211 -2.7201 -2.7201 -2.6740 -2.6740 3.5282 3.5282 10.9285 10.9285 10.9569 10.9569 12.8965 12.8965 13.7722 13.7722 13.9306 13.9306 15.1897 15.1897 k = 0.0822 0.0822 0.0822 ( 1608 PWs) bands (ev): -31.6397 -31.6397 -12.5733 -12.5733 -11.1289 -11.1289 -11.1261 -11.1261 -3.5567 -3.5567 -3.5556 -3.5556 -2.7201 -2.7201 -2.7190 -2.7190 -2.6745 -2.6745 3.5682 3.5682 10.9146 10.9146 10.9480 10.9480 12.7670 12.7670 13.7181 13.7181 13.8698 13.8698 15.2512 15.2512 k = 0.0890 0.0890 0.0890 ( 1602 PWs) bands (ev): -31.6393 -31.6393 -12.5750 -12.5750 -11.1312 -11.1312 -11.1281 -11.1281 -3.5560 -3.5560 -3.5548 -3.5548 -2.7190 -2.7190 -2.7178 -2.7178 -2.6751 -2.6751 3.6113 3.6113 10.8999 10.8999 10.9385 10.9385 12.6397 12.6397 13.6637 13.6637 13.8085 13.8085 15.3146 15.3146 k = 0.0959 0.0959 0.0959 ( 1611 PWs) bands (ev): -31.6389 -31.6389 -12.5768 -12.5768 -11.1337 -11.1337 -11.1301 -11.1301 -3.5553 -3.5553 -3.5541 -3.5541 -2.7179 -2.7179 -2.7166 -2.7166 -2.6757 -2.6757 3.6576 3.6576 10.8842 10.8842 10.9284 10.9284 12.5153 12.5153 13.6090 13.6090 13.7469 13.7469 15.3797 15.3797 k = 0.1027 0.1027 0.1027 ( 1611 PWs) bands (ev): -31.6385 -31.6385 -12.5787 -12.5787 -11.1363 -11.1363 -11.1324 -11.1324 -3.5546 -3.5546 -3.5533 -3.5533 -2.7166 -2.7166 -2.7153 -2.7153 -2.6765 -2.6765 3.7069 3.7069 10.8678 10.8678 10.9177 10.9177 12.3943 12.3943 13.5541 13.5541 13.6851 13.6851 15.4460 15.4460 k = 0.1096 0.1096 0.1096 ( 1605 PWs) bands (ev): -31.6380 -31.6380 -12.5808 -12.5808 -11.1391 -11.1391 -11.1347 -11.1347 -3.5539 -3.5539 -3.5526 -3.5526 -2.7153 -2.7153 -2.7139 -2.7139 -2.6772 -2.6772 3.7592 3.7592 10.8504 10.8504 10.9063 10.9063 12.2771 12.2771 13.4991 13.4991 13.6234 13.6234 15.5132 15.5132 k = 0.1164 0.1164 0.1164 ( 1599 PWs) bands (ev): -31.6374 -31.6374 -12.5829 -12.5829 -11.1419 -11.1419 -11.1372 -11.1372 -3.5531 -3.5531 -3.5518 -3.5518 -2.7140 -2.7140 -2.7125 -2.7125 -2.6781 -2.6781 3.8143 3.8143 10.8322 10.8322 10.8942 10.8942 12.1642 12.1642 13.4442 13.4442 13.5620 13.5620 15.5808 15.5808 k = 0.1233 0.1233 0.1233 ( 1611 PWs) bands (ev): -31.6369 -31.6369 -12.5851 -12.5851 -11.1448 -11.1448 -11.1398 -11.1398 -3.5523 -3.5523 -3.5511 -3.5511 -2.7125 -2.7125 -2.7111 -2.7111 -2.6791 -2.6791 3.8723 3.8723 10.8130 10.8130 10.8814 10.8814 12.0558 12.0558 13.3898 13.3898 13.5012 13.5012 15.6480 15.6480 k = 0.1301 0.1301 0.1301 ( 1608 PWs) bands (ev): -31.6364 -31.6364 -12.5874 -12.5874 -11.1479 -11.1479 -11.1425 -11.1425 -3.5514 -3.5514 -3.5504 -3.5504 -2.7110 -2.7110 -2.7096 -2.7096 -2.6801 -2.6801 3.9329 3.9329 10.7929 10.7929 10.8677 10.8677 11.9523 11.9523 13.3361 13.3361 13.4412 13.4412 15.7137 15.7137 k = 0.1370 0.1370 0.1370 ( 1602 PWs) bands (ev): -31.6357 -31.6357 -12.5898 -12.5898 -11.1510 -11.1510 -11.1453 -11.1453 -3.5505 -3.5505 -3.5497 -3.5497 -2.7095 -2.7095 -2.7081 -2.7081 -2.6813 -2.6813 3.9960 3.9960 10.7717 10.7717 10.8531 10.8531 11.8538 11.8538 13.2833 13.2833 13.3824 13.3824 15.7750 15.7750 k = 0.1438 0.1438 0.1438 ( 1602 PWs) bands (ev): -31.6351 -31.6351 -12.5922 -12.5922 -11.1542 -11.1542 -11.1482 -11.1482 -3.5496 -3.5496 -3.5491 -3.5491 -2.7078 -2.7078 -2.7065 -2.7065 -2.6825 -2.6825 4.0616 4.0616 10.7493 10.7493 10.8374 10.8374 11.7606 11.7606 13.2319 13.2319 13.3251 13.3251 15.8264 15.8264 k = 0.1507 0.1507 0.1507 ( 1605 PWs) bands (ev): -31.6345 -31.6345 -12.5947 -12.5947 -11.1574 -11.1574 -11.1512 -11.1512 -3.5487 -3.5487 -3.5484 -3.5484 -2.7061 -2.7061 -2.7049 -2.7049 -2.6838 -2.6838 4.1295 4.1295 10.7257 10.7257 10.8204 10.8204 11.6730 11.6730 13.1821 13.1821 13.2696 13.2696 15.8631 15.8631 k = 0.1575 0.1575 0.1575 ( 1599 PWs) bands (ev): -31.6339 -31.6339 -12.5973 -12.5973 -11.1607 -11.1607 -11.1543 -11.1543 -3.5479 -3.5479 -3.5478 -3.5478 -2.7044 -2.7044 -2.7032 -2.7032 -2.6852 -2.6852 4.1996 4.1996 10.7007 10.7007 10.8021 10.8021 11.5910 11.5910 13.1343 13.1343 13.2164 13.2164 15.8873 15.8873 k = 0.1644 0.1644 0.1644 ( 1593 PWs) bands (ev): -31.6332 -31.6332 -12.5999 -12.5999 -11.1640 -11.1640 -11.1574 -11.1574 -3.5473 -3.5473 -3.5469 -3.5469 -2.7026 -2.7026 -2.7016 -2.7016 -2.6866 -2.6866 4.2717 4.2717 10.6742 10.6742 10.7821 10.7821 11.5148 11.5148 13.0890 13.0890 13.1658 13.1658 15.9037 15.9037 k = 0.1712 0.1712 0.1712 ( 1593 PWs) bands (ev): -31.6325 -31.6325 -12.6026 -12.6026 -11.1674 -11.1674 -11.1607 -11.1607 -3.5468 -3.5468 -3.5459 -3.5459 -2.7007 -2.7007 -2.6998 -2.6998 -2.6882 -2.6882 4.3457 4.3457 10.6461 10.6461 10.7604 10.7604 11.4446 11.4446 13.0464 13.0464 13.1182 13.1182 15.9144 15.9144 k = 0.1781 0.1781 0.1781 ( 1596 PWs) bands (ev): -31.6318 -31.6318 -12.6054 -12.6054 -11.1708 -11.1708 -11.1640 -11.1640 -3.5464 -3.5464 -3.5450 -3.5450 -2.6988 -2.6988 -2.6981 -2.6981 -2.6898 -2.6898 4.4215 4.4215 10.6163 10.6163 10.7368 10.7368 11.3805 11.3805 13.0069 13.0069 13.0741 13.0741 15.9200 15.9200 k = 0.1849 0.1849 0.1849 ( 1596 PWs) bands (ev): -31.6311 -31.6311 -12.6081 -12.6081 -11.1742 -11.1742 -11.1674 -11.1674 -3.5460 -3.5460 -3.5440 -3.5440 -2.6968 -2.6968 -2.6964 -2.6964 -2.6915 -2.6915 4.4989 4.4989 10.5846 10.5846 10.7110 10.7110 11.3225 11.3225 12.9708 12.9708 13.0338 13.0338 15.9205 15.9205 k = 0.1918 0.1918 0.1918 ( 1595 PWs) bands (ev): -31.6304 -31.6304 -12.6109 -12.6109 -11.1777 -11.1777 -11.1708 -11.1708 -3.5456 -3.5456 -3.5430 -3.5430 -2.6948 -2.6948 -2.6948 -2.6948 -2.6929 -2.6929 4.5776 4.5776 10.5511 10.5511 10.6829 10.6829 11.2709 11.2709 12.9385 12.9385 12.9976 12.9976 15.9155 15.9155 k = 0.1986 0.1986 0.1986 ( 1601 PWs) bands (ev): -31.6297 -31.6297 -12.6137 -12.6137 -11.1811 -11.1811 -11.1743 -11.1743 -3.5453 -3.5453 -3.5421 -3.5421 -2.6954 -2.6954 -2.6927 -2.6927 -2.6923 -2.6923 4.6577 4.6577 10.5155 10.5155 10.6524 10.6524 11.2256 11.2256 12.9103 12.9103 12.9659 12.9659 15.9041 15.9041 k = 0.2055 0.2055 0.2055 ( 1589 PWs) bands (ev): -31.6289 -31.6289 -12.6166 -12.6166 -11.1846 -11.1846 -11.1778 -11.1778 -3.5449 -3.5449 -3.5411 -3.5411 -2.6971 -2.6971 -2.6906 -2.6906 -2.6905 -2.6905 4.7389 4.7389 10.4779 10.4779 10.6194 10.6194 11.1867 11.1867 12.8864 12.8864 12.9390 12.9390 15.8855 15.8855 k = 0.2123 0.2123 0.2123 ( 1592 PWs) bands (ev): -31.6282 -31.6282 -12.6194 -12.6194 -11.1881 -11.1881 -11.1814 -11.1814 -3.5447 -3.5447 -3.5401 -3.5401 -2.6990 -2.6990 -2.6886 -2.6886 -2.6884 -2.6884 4.8211 4.8211 10.4383 10.4383 10.5838 10.5838 11.1543 11.1543 12.8671 12.8671 12.9171 12.9171 15.8587 15.8587 k = 0.2192 0.2192 0.2192 ( 1592 PWs) bands (ev): -31.6274 -31.6274 -12.6223 -12.6223 -11.1915 -11.1915 -11.1850 -11.1850 -3.5444 -3.5444 -3.5392 -3.5392 -2.7009 -2.7009 -2.6866 -2.6866 -2.6862 -2.6862 4.9041 4.9041 10.3966 10.3966 10.5456 10.5456 11.1285 11.1285 12.8524 12.8524 12.9004 12.9004 15.8225 15.8225 k = 0.2260 0.2260 0.2260 ( 1598 PWs) bands (ev): -31.6267 -31.6267 -12.6252 -12.6252 -11.1949 -11.1949 -11.1886 -11.1886 -3.5442 -3.5442 -3.5382 -3.5382 -2.7029 -2.7029 -2.6846 -2.6846 -2.6840 -2.6840 4.9877 4.9877 10.3528 10.3528 10.5048 10.5048 11.1092 11.1092 12.8426 12.8426 12.8890 12.8890 15.7759 15.7759 k = 0.2329 0.2329 0.2329 ( 1598 PWs) bands (ev): -31.6259 -31.6259 -12.6281 -12.6281 -11.1984 -11.1984 -11.1922 -11.1922 -3.5440 -3.5440 -3.5373 -3.5373 -2.7048 -2.7048 -2.6826 -2.6826 -2.6817 -2.6817 5.0719 5.0719 10.3070 10.3070 10.4615 10.4615 11.0964 11.0964 12.8376 12.8376 12.8830 12.8830 15.7177 15.7177 k = 0.2397 0.2397 0.2397 ( 1598 PWs) bands (ev): -31.6251 -31.6251 -12.6310 -12.6310 -11.2018 -11.2018 -11.1959 -11.1959 -3.5438 -3.5438 -3.5363 -3.5363 -2.7068 -2.7068 -2.6805 -2.6805 -2.6794 -2.6794 5.1565 5.1565 10.2594 10.2594 10.4158 10.4158 11.0902 11.0902 12.8376 12.8376 12.8825 12.8825 15.6471 15.6471 k = 0.2466 0.2466 0.2466 ( 1589 PWs) bands (ev): -31.6243 -31.6243 -12.6338 -12.6338 -11.2052 -11.2052 -11.1995 -11.1995 -3.5435 -3.5435 -3.5354 -3.5354 -2.7087 -2.7087 -2.6783 -2.6783 -2.6771 -2.6771 5.2414 5.2414 10.2100 10.2100 10.3679 10.3679 11.0904 11.0904 12.8424 12.8424 12.8873 12.8873 15.5637 15.5637 k = 0.2534 0.2534 0.2534 ( 1589 PWs) bands (ev): -31.6236 -31.6236 -12.6367 -12.6367 -11.2085 -11.2085 -11.2032 -11.2032 -3.5433 -3.5433 -3.5345 -3.5345 -2.7106 -2.7106 -2.6762 -2.6762 -2.6747 -2.6747 5.3264 5.3264 10.1590 10.1590 10.3179 10.3179 11.0969 11.0969 12.8522 12.8522 12.8974 12.8974 15.4672 15.4672 k = 0.2603 0.2603 0.2603 ( 1592 PWs) bands (ev): -31.6228 -31.6228 -12.6396 -12.6396 -11.2118 -11.2118 -11.2068 -11.2068 -3.5431 -3.5431 -3.5335 -3.5335 -2.7125 -2.7125 -2.6740 -2.6740 -2.6723 -2.6723 5.4115 5.4115 10.1065 10.1065 10.2662 10.2662 11.1095 11.1095 12.8667 12.8667 12.9127 12.9127 15.3581 15.3581 k = 0.2671 0.2671 0.2671 ( 1592 PWs) bands (ev): -31.6221 -31.6221 -12.6424 -12.6424 -11.2151 -11.2151 -11.2104 -11.2104 -3.5428 -3.5428 -3.5326 -3.5326 -2.7143 -2.7143 -2.6718 -2.6718 -2.6699 -2.6699 5.4967 5.4967 10.0528 10.0528 10.2129 10.2129 11.1280 11.1280 12.8859 12.8859 12.9331 12.9331 15.2373 15.2373 k = 0.2740 0.2740 0.2740 ( 1592 PWs) bands (ev): -31.6213 -31.6213 -12.6452 -12.6452 -11.2184 -11.2184 -11.2140 -11.2140 -3.5425 -3.5425 -3.5318 -3.5318 -2.7160 -2.7160 -2.6695 -2.6695 -2.6675 -2.6675 5.5818 5.5818 9.9981 9.9981 10.1584 10.1584 11.1519 11.1519 12.9096 12.9096 12.9584 12.9584 15.1061 15.1061 k = 0.2808 0.2808 0.2808 ( 1592 PWs) bands (ev): -31.6205 -31.6205 -12.6480 -12.6480 -11.2216 -11.2216 -11.2176 -11.2176 -3.5421 -3.5421 -3.5309 -3.5309 -2.7177 -2.7177 -2.6673 -2.6673 -2.6651 -2.6651 5.6667 5.6667 9.9426 9.9426 10.1028 10.1028 11.1808 11.1808 12.9378 12.9378 12.9884 12.9884 14.9663 14.9663 k = 0.2877 0.2877 0.2877 ( 1598 PWs) bands (ev): -31.6198 -31.6198 -12.6508 -12.6508 -11.2248 -11.2248 -11.2211 -11.2211 -3.5417 -3.5417 -3.5300 -3.5300 -2.7194 -2.7194 -2.6650 -2.6650 -2.6626 -2.6626 5.7516 5.7516 9.8866 9.8866 10.0464 10.0464 11.2140 11.2140 12.9702 12.9702 13.0229 13.0229 14.8198 14.8198 k = 0.2945 0.2945 0.2945 ( 1592 PWs) bands (ev): -31.6191 -31.6191 -12.6535 -12.6535 -11.2280 -11.2280 -11.2246 -11.2246 -3.5412 -3.5412 -3.5292 -3.5292 -2.7209 -2.7209 -2.6626 -2.6626 -2.6602 -2.6602 5.8363 5.8363 9.8302 9.8302 9.9895 9.9895 11.2508 11.2508 13.0068 13.0068 13.0618 13.0618 14.6689 14.6689 k = 0.3014 0.3014 0.3014 ( 1592 PWs) bands (ev): -31.6183 -31.6183 -12.6562 -12.6562 -11.2311 -11.2311 -11.2280 -11.2280 -3.5407 -3.5407 -3.5284 -3.5284 -2.7224 -2.7224 -2.6603 -2.6603 -2.6577 -2.6577 5.9210 5.9210 9.7736 9.7736 9.9324 9.9324 11.2902 11.2902 13.0472 13.0472 13.1048 13.1048 14.5159 14.5159 k = 0.3082 0.3082 0.3082 ( 1598 PWs) bands (ev): -31.6176 -31.6176 -12.6588 -12.6588 -11.2341 -11.2341 -11.2314 -11.2314 -3.5401 -3.5401 -3.5276 -3.5276 -2.7238 -2.7238 -2.6580 -2.6580 -2.6553 -2.6553 6.0056 6.0056 9.7172 9.7172 9.8753 9.8753 11.3309 11.3309 13.0915 13.0915 13.1517 13.1517 14.3633 14.3633 k = 0.3151 0.3151 0.3151 ( 1592 PWs) bands (ev): -31.6169 -31.6169 -12.6614 -12.6614 -11.2371 -11.2371 -11.2347 -11.2347 -3.5395 -3.5395 -3.5268 -3.5268 -2.7250 -2.7250 -2.6556 -2.6556 -2.6529 -2.6529 6.0901 6.0901 9.6612 9.6612 9.8184 9.8184 11.3712 11.3712 13.1393 13.1393 13.2025 13.2025 14.2138 14.2138 k = 0.3219 0.3219 0.3219 ( 1592 PWs) bands (ev): -31.6162 -31.6162 -12.6639 -12.6639 -11.2401 -11.2401 -11.2379 -11.2379 -3.5388 -3.5388 -3.5260 -3.5260 -2.7262 -2.7262 -2.6532 -2.6532 -2.6505 -2.6505 6.1748 6.1748 9.6056 9.6056 9.7620 9.7620 11.4091 11.4091 13.1904 13.1904 13.2568 13.2568 14.0704 14.0704 k = 0.3288 0.3288 0.3288 ( 1586 PWs) bands (ev): -31.6155 -31.6155 -12.6664 -12.6664 -11.2430 -11.2430 -11.2411 -11.2411 -3.5380 -3.5380 -3.5253 -3.5253 -2.7273 -2.7273 -2.6509 -2.6509 -2.6481 -2.6481 6.2596 6.2596 9.5507 9.5507 9.7062 9.7062 11.4420 11.4420 13.2447 13.2447 13.3145 13.3145 13.9365 13.9365 k = 0.3356 0.3356 0.3356 ( 1580 PWs) bands (ev): -31.6148 -31.6148 -12.6689 -12.6689 -11.2458 -11.2458 -11.2442 -11.2442 -3.5371 -3.5371 -3.5246 -3.5246 -2.7283 -2.7283 -2.6485 -2.6485 -2.6457 -2.6457 6.3447 6.3447 9.4967 9.4967 9.6513 9.6513 11.4668 11.4668 13.3016 13.3016 13.3755 13.3755 13.8160 13.8160 k = 0.3425 0.3425 0.3425 ( 1592 PWs) bands (ev): -31.6142 -31.6142 -12.6712 -12.6712 -11.2486 -11.2486 -11.2472 -11.2472 -3.5362 -3.5362 -3.5239 -3.5239 -2.7292 -2.7292 -2.6462 -2.6462 -2.6434 -2.6434 6.4301 6.4301 9.4438 9.4438 9.5974 9.5974 11.4801 11.4801 13.3606 13.3606 13.4394 13.4394 13.7132 13.7132 k = 0.3493 0.3493 0.3493 ( 1592 PWs) bands (ev): -31.6136 -31.6136 -12.6735 -12.6735 -11.2513 -11.2513 -11.2502 -11.2502 -3.5352 -3.5352 -3.5232 -3.5232 -2.7300 -2.7300 -2.6438 -2.6438 -2.6411 -2.6411 6.5161 6.5161 9.3921 9.3921 9.5447 9.5447 11.4780 11.4780 13.4197 13.4197 13.5064 13.5064 13.6340 13.6340 k = 0.3562 0.3562 0.3562 ( 1592 PWs) bands (ev): -31.6130 -31.6130 -12.6758 -12.6758 -11.2539 -11.2539 -11.2530 -11.2530 -3.5342 -3.5342 -3.5225 -3.5225 -2.7307 -2.7307 -2.6415 -2.6415 -2.6388 -2.6388 6.6027 6.6027 9.3417 9.3417 9.4934 9.4934 11.4575 11.4575 13.4715 13.4715 13.5760 13.5760 13.5889 13.5889 k = 0.3630 0.3630 0.3630 ( 1592 PWs) bands (ev): -31.6124 -31.6124 -12.6780 -12.6780 -11.2565 -11.2565 -11.2557 -11.2557 -3.5331 -3.5331 -3.5219 -3.5219 -2.7314 -2.7314 -2.6392 -2.6392 -2.6367 -2.6367 6.6901 6.6901 9.2929 9.2929 9.4436 9.4436 11.4163 11.4163 13.4946 13.4946 13.6016 13.6016 13.6482 13.6482 k = 0.3699 0.3699 0.3699 ( 1592 PWs) bands (ev): -31.6118 -31.6118 -12.6800 -12.6800 -11.2589 -11.2589 -11.2584 -11.2584 -3.5319 -3.5319 -3.5213 -3.5213 -2.7319 -2.7319 -2.6370 -2.6370 -2.6345 -2.6345 6.7784 6.7784 9.2457 9.2457 9.3955 9.3955 11.3540 11.3540 13.5030 13.5030 13.6581 13.6581 13.7228 13.7228 k = 0.3767 0.3767 0.3767 ( 1592 PWs) bands (ev): -31.6113 -31.6113 -12.6821 -12.6821 -11.2613 -11.2613 -11.2609 -11.2609 -3.5307 -3.5307 -3.5207 -3.5207 -2.7324 -2.7324 -2.6348 -2.6348 -2.6324 -2.6324 6.8678 6.8678 9.2003 9.2003 9.3491 9.3491 11.2719 11.2719 13.5261 13.5261 13.7277 13.7277 13.7996 13.7996 k = 0.3836 0.3836 0.3836 ( 1592 PWs) bands (ev): -31.6107 -31.6107 -12.6840 -12.6840 -11.2636 -11.2636 -11.2633 -11.2633 -3.5295 -3.5295 -3.5202 -3.5202 -2.7327 -2.7327 -2.6327 -2.6327 -2.6304 -2.6304 6.9584 6.9584 9.1567 9.1567 9.3047 9.3047 11.1724 11.1724 13.5689 13.5689 13.8023 13.8023 13.8784 13.8784 k = 0.3904 0.3904 0.3904 ( 1592 PWs) bands (ev): -31.6103 -31.6103 -12.6858 -12.6858 -11.2658 -11.2658 -11.2656 -11.2656 -3.5283 -3.5283 -3.5196 -3.5196 -2.7330 -2.7330 -2.6306 -2.6306 -2.6285 -2.6285 7.0504 7.0504 9.1151 9.1151 9.2622 9.2622 11.0587 11.0587 13.6296 13.6296 13.8802 13.8802 13.9592 13.9592 k = 0.3973 0.3973 0.3973 ( 1586 PWs) bands (ev): -31.6098 -31.6098 -12.6876 -12.6876 -11.2679 -11.2679 -11.2678 -11.2678 -3.5271 -3.5271 -3.5191 -3.5191 -2.7333 -2.7333 -2.6286 -2.6286 -2.6266 -2.6266 7.1439 7.1439 9.0755 9.0755 9.2219 9.2219 10.9339 10.9339 13.7052 13.7052 13.9608 13.9608 14.0416 14.0416 k = 0.4041 0.4041 0.4041 ( 1583 PWs) bands (ev): -31.6093 -31.6093 -12.6892 -12.6892 -11.2699 -11.2699 -11.2699 -11.2699 -3.5258 -3.5258 -3.5187 -3.5187 -2.7335 -2.7335 -2.6266 -2.6266 -2.6248 -2.6248 7.2391 7.2391 9.0381 9.0381 9.1838 9.1838 10.8009 10.8009 13.7924 13.7924 14.0438 14.0438 14.1255 14.1255 k = 0.4110 0.4110 0.4110 ( 1589 PWs) bands (ev): -31.6089 -31.6089 -12.6908 -12.6908 -11.2718 -11.2718 -11.2718 -11.2718 -3.5246 -3.5246 -3.5182 -3.5182 -2.7336 -2.7336 -2.6248 -2.6248 -2.6232 -2.6232 7.3360 7.3360 9.0030 9.0030 9.1479 9.1479 10.6620 10.6620 13.8882 13.8882 14.1291 14.1291 14.2105 14.2105 k = 0.4178 0.4178 0.4178 ( 1598 PWs) bands (ev): -31.6086 -31.6086 -12.6922 -12.6922 -11.2736 -11.2736 -11.2736 -11.2736 -3.5235 -3.5235 -3.5178 -3.5178 -2.7337 -2.7337 -2.6230 -2.6230 -2.6216 -2.6216 7.4348 7.4348 8.9702 8.9702 9.1144 9.1144 10.5192 10.5192 13.9895 13.9895 14.2166 14.2166 14.2966 14.2966 k = 0.4247 0.4247 0.4247 ( 1598 PWs) bands (ev): -31.6082 -31.6082 -12.6936 -12.6936 -11.2753 -11.2753 -11.2752 -11.2752 -3.5223 -3.5223 -3.5175 -3.5175 -2.7337 -2.7337 -2.6214 -2.6214 -2.6201 -2.6201 7.5356 7.5356 8.9397 8.9397 9.0833 9.0833 10.3738 10.3738 14.0937 14.0937 14.3066 14.3066 14.3833 14.3833 k = 0.4315 0.4315 0.4315 ( 1598 PWs) bands (ev): -31.6079 -31.6079 -12.6948 -12.6948 -11.2768 -11.2768 -11.2767 -11.2767 -3.5212 -3.5212 -3.5171 -3.5171 -2.7338 -2.7338 -2.6198 -2.6198 -2.6188 -2.6188 7.6385 7.6385 8.9117 8.9117 9.0548 9.0548 10.2272 10.2272 14.1981 14.1981 14.3989 14.3989 14.4702 14.4702 k = 0.4384 0.4384 0.4384 ( 1598 PWs) bands (ev): -31.6076 -31.6076 -12.6960 -12.6960 -11.2782 -11.2782 -11.2781 -11.2781 -3.5202 -3.5202 -3.5168 -3.5168 -2.7338 -2.7338 -2.6184 -2.6184 -2.6175 -2.6175 7.7436 7.7436 8.8862 8.8862 9.0287 9.0287 10.0803 10.0803 14.3001 14.3001 14.4936 14.4936 14.5568 14.5568 k = 0.4452 0.4452 0.4452 ( 1598 PWs) bands (ev): -31.6073 -31.6073 -12.6970 -12.6970 -11.2795 -11.2795 -11.2794 -11.2794 -3.5193 -3.5193 -3.5165 -3.5165 -2.7338 -2.7338 -2.6171 -2.6171 -2.6164 -2.6164 7.8510 7.8510 8.8633 8.8633 9.0053 9.0053 9.9339 9.9339 14.3978 14.3978 14.5897 14.5897 14.6426 14.6426 k = 0.4521 0.4521 0.4521 ( 1598 PWs) bands (ev): -31.6070 -31.6070 -12.6979 -12.6979 -11.2806 -11.2806 -11.2805 -11.2805 -3.5184 -3.5184 -3.5162 -3.5162 -2.7337 -2.7337 -2.6159 -2.6159 -2.6154 -2.6154 7.9607 7.9607 8.8429 8.8429 8.9846 8.9846 9.7885 9.7885 14.4894 14.4894 14.6859 14.6859 14.7268 14.7268 k = 0.4589 0.4589 0.4589 ( 1598 PWs) bands (ev): -31.6068 -31.6068 -12.6987 -12.6987 -11.2815 -11.2815 -11.2815 -11.2815 -3.5176 -3.5176 -3.5160 -3.5160 -2.7337 -2.7337 -2.6149 -2.6149 -2.6145 -2.6145 8.0726 8.0726 8.8252 8.8252 8.9665 8.9665 9.6446 9.6446 14.5739 14.5739 14.7797 14.7797 14.8082 14.8082 k = 0.4658 0.4658 0.4658 ( 1592 PWs) bands (ev): -31.6066 -31.6066 -12.6994 -12.6994 -11.2824 -11.2824 -11.2823 -11.2823 -3.5170 -3.5170 -3.5158 -3.5158 -2.7336 -2.7336 -2.6140 -2.6140 -2.6137 -2.6137 8.1868 8.1868 8.8101 8.8101 8.9511 8.9511 9.5029 9.5029 14.6502 14.6502 14.8679 14.8679 14.8853 14.8853 k = 0.4726 0.4726 0.4726 ( 1592 PWs) bands (ev): -31.6065 -31.6065 -12.6999 -12.6999 -11.2830 -11.2830 -11.2830 -11.2830 -3.5164 -3.5164 -3.5157 -3.5157 -2.7336 -2.7336 -2.6133 -2.6133 -2.6131 -2.6131 8.3030 8.3030 8.7978 8.7978 8.9385 8.9385 9.3638 9.3638 14.7170 14.7170 14.9473 14.9473 14.9560 14.9560 k = 0.4795 0.4795 0.4795 ( 1586 PWs) bands (ev): -31.6064 -31.6064 -12.7003 -12.7003 -11.2836 -11.2836 -11.2836 -11.2836 -3.5160 -3.5160 -3.5155 -3.5155 -2.7336 -2.7336 -2.6127 -2.6127 -2.6126 -2.6126 8.4206 8.4206 8.7881 8.7881 8.9287 8.9287 9.2281 9.2281 14.7726 14.7726 15.0143 15.0143 15.0175 15.0175 k = 0.4863 0.4863 0.4863 ( 1583 PWs) bands (ev): -31.6063 -31.6063 -12.7006 -12.7006 -11.2839 -11.2839 -11.2839 -11.2839 -3.5157 -3.5157 -3.5155 -3.5155 -2.7335 -2.7335 -2.6123 -2.6123 -2.6123 -2.6123 8.5378 8.5378 8.7812 8.7812 8.9217 8.9217 9.0979 9.0979 14.8147 14.8147 15.0654 15.0654 15.0661 15.0661 k = 0.4932 0.4932 0.4932 ( 1568 PWs) bands (ev): -31.6062 -31.6062 -12.7008 -12.7008 -11.2842 -11.2842 -11.2842 -11.2842 -3.5154 -3.5154 -3.5154 -3.5154 -2.7335 -2.7335 -2.6121 -2.6121 -2.6121 -2.6121 8.6480 8.6480 8.7767 8.7767 8.9175 8.9175 8.9801 8.9801 14.8411 14.8411 15.0977 15.0977 15.0977 15.0977 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -31.6061 -31.6061 -12.7009 -12.7009 -11.2842 -11.2842 -11.2842 -11.2842 -3.5154 -3.5154 -3.5154 -3.5154 -2.7335 -2.7335 -2.6120 -2.6120 -2.6120 -2.6120 8.7103 8.7103 8.7744 8.7744 8.9161 8.9161 8.9161 8.9161 14.8501 14.8501 15.1087 15.1087 15.1087 15.1087 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -31.6061 -31.6061 -12.7009 -12.7009 -11.2842 -11.2842 -11.2842 -11.2842 -3.5154 -3.5154 -3.5154 -3.5154 -2.7335 -2.7335 -2.6120 -2.6120 -2.6120 -2.6120 8.7103 8.7103 8.7744 8.7744 8.9161 8.9161 8.9161 8.9161 14.8501 14.8501 15.1087 15.1087 15.1087 15.1087 k = 0.4917 0.5000 0.4917 ( 1568 PWs) bands (ev): -31.6062 -31.6062 -12.7008 -12.7008 -11.2842 -11.2842 -11.2841 -11.2841 -3.5154 -3.5154 -3.5154 -3.5154 -2.7335 -2.7335 -2.6121 -2.6121 -2.6120 -2.6120 8.6487 8.6487 8.7766 8.7766 8.9174 8.9174 8.9795 8.9795 14.8411 14.8411 15.0938 15.0938 15.1020 15.1020 k = 0.4833 0.5000 0.4833 ( 1586 PWs) bands (ev): -31.6063 -31.6063 -12.7006 -12.7006 -11.2842 -11.2842 -11.2837 -11.2837 -3.5156 -3.5156 -3.5155 -3.5155 -2.7335 -2.7335 -2.6124 -2.6124 -2.6122 -2.6122 8.5396 8.5396 8.7809 8.7809 8.9213 8.9213 9.0965 9.0965 14.8139 14.8139 15.0512 15.0512 15.0837 15.0837 k = 0.4750 0.5000 0.4750 ( 1590 PWs) bands (ev): -31.6064 -31.6064 -12.7003 -12.7003 -11.2840 -11.2840 -11.2831 -11.2831 -3.5160 -3.5160 -3.5156 -3.5156 -2.7336 -2.7336 -2.6129 -2.6129 -2.6124 -2.6124 8.4234 8.4234 8.7874 8.7874 8.9278 8.9278 9.2262 9.2262 14.7684 14.7684 14.9860 14.9860 15.0578 15.0578 k = 0.4667 0.5000 0.4667 ( 1594 PWs) bands (ev): -31.6065 -31.6065 -12.6999 -12.6999 -11.2839 -11.2839 -11.2822 -11.2822 -3.5164 -3.5164 -3.5157 -3.5157 -2.7336 -2.7336 -2.6137 -2.6137 -2.6127 -2.6127 8.3071 8.3071 8.7964 8.7964 8.9370 8.9370 9.3616 9.3616 14.7054 14.7054 14.9041 14.9041 15.0278 15.0278 k = 0.4583 0.5000 0.4583 ( 1594 PWs) bands (ev): -31.6066 -31.6066 -12.6994 -12.6994 -11.2837 -11.2837 -11.2811 -11.2811 -3.5169 -3.5169 -3.5159 -3.5159 -2.7336 -2.7336 -2.6146 -2.6146 -2.6131 -2.6131 8.1924 8.1924 8.8078 8.8078 8.9486 8.9486 9.5007 9.5007 14.6272 14.6272 14.8107 14.8107 14.9954 14.9954 k = 0.4500 0.5000 0.4500 ( 1594 PWs) bands (ev): -31.6068 -31.6068 -12.6987 -12.6987 -11.2834 -11.2834 -11.2797 -11.2797 -3.5176 -3.5176 -3.5161 -3.5161 -2.7337 -2.7337 -2.6157 -2.6157 -2.6136 -2.6136 8.0798 8.0798 8.8214 8.8214 8.9628 8.9628 9.6430 9.6430 14.5363 14.5363 14.7103 14.7103 14.9612 14.9612 k = 0.4417 0.5000 0.4417 ( 1594 PWs) bands (ev): -31.6070 -31.6070 -12.6979 -12.6979 -11.2831 -11.2831 -11.2781 -11.2781 -3.5183 -3.5183 -3.5163 -3.5163 -2.7337 -2.7337 -2.6170 -2.6170 -2.6142 -2.6142 7.9698 7.9698 8.8371 8.8371 8.9795 8.9795 9.7880 9.7880 14.4354 14.4354 14.6064 14.6064 14.9248 14.9248 k = 0.4333 0.5000 0.4333 ( 1594 PWs) bands (ev): -31.6073 -31.6073 -12.6971 -12.6971 -11.2827 -11.2827 -11.2763 -11.2763 -3.5191 -3.5191 -3.5166 -3.5166 -2.7338 -2.7338 -2.6185 -2.6185 -2.6148 -2.6148 7.8625 7.8625 8.8547 8.8547 8.9986 8.9986 9.9355 9.9355 14.3267 14.3267 14.5012 14.5012 14.8862 14.8862 k = 0.4250 0.5000 0.4250 ( 1594 PWs) bands (ev): -31.6075 -31.6075 -12.6961 -12.6961 -11.2824 -11.2824 -11.2742 -11.2742 -3.5201 -3.5201 -3.5169 -3.5169 -2.7338 -2.7338 -2.6202 -2.6202 -2.6155 -2.6155 7.7579 7.7579 8.8738 8.8738 9.0202 9.0202 10.0853 10.0853 14.2124 14.2124 14.3964 14.3964 14.8452 14.8452 k = 0.4167 0.5000 0.4167 ( 1594 PWs) bands (ev): -31.6078 -31.6078 -12.6950 -12.6950 -11.2819 -11.2819 -11.2719 -11.2719 -3.5211 -3.5211 -3.5172 -3.5172 -2.7338 -2.7338 -2.6220 -2.6220 -2.6163 -2.6163 7.6561 7.6561 8.8940 8.8940 9.0443 9.0443 10.2373 10.2373 14.0946 14.0946 14.2926 14.2926 14.8019 14.8019 k = 0.4083 0.5000 0.4083 ( 1590 PWs) bands (ev): -31.6081 -31.6081 -12.6938 -12.6938 -11.2815 -11.2815 -11.2693 -11.2693 -3.5222 -3.5222 -3.5176 -3.5176 -2.7339 -2.7339 -2.6240 -2.6240 -2.6171 -2.6171 7.5572 7.5572 8.9150 8.9150 9.0710 9.0710 10.3911 10.3911 13.9755 13.9755 14.1899 14.1899 14.7566 14.7566 k = 0.4000 0.5000 0.4000 ( 1598 PWs) bands (ev): -31.6085 -31.6085 -12.6925 -12.6925 -11.2810 -11.2810 -11.2666 -11.2666 -3.5233 -3.5233 -3.5180 -3.5180 -2.7339 -2.7339 -2.6262 -2.6262 -2.6181 -2.6181 7.4611 7.4611 8.9361 8.9361 9.1004 9.1004 10.5467 10.5467 13.8569 13.8569 14.0887 14.0887 14.7095 14.7095 k = 0.3917 0.5000 0.3917 ( 1594 PWs) bands (ev): -31.6089 -31.6089 -12.6911 -12.6911 -11.2804 -11.2804 -11.2636 -11.2636 -3.5245 -3.5245 -3.5184 -3.5184 -2.7338 -2.7338 -2.6285 -2.6285 -2.6190 -2.6190 7.3678 7.3678 8.9567 8.9567 9.1325 9.1325 10.7038 10.7038 13.7403 13.7403 13.9887 13.9887 14.6609 14.6609 k = 0.3833 0.5000 0.3833 ( 1594 PWs) bands (ev): -31.6093 -31.6093 -12.6896 -12.6896 -11.2798 -11.2798 -11.2605 -11.2605 -3.5258 -3.5258 -3.5188 -3.5188 -2.7338 -2.7338 -2.6309 -2.6309 -2.6200 -2.6200 7.2774 7.2774 8.9762 8.9762 9.1676 9.1676 10.8622 10.8622 13.6273 13.6273 13.8902 13.8902 14.6114 14.6114 k = 0.3750 0.5000 0.3750 ( 1602 PWs) bands (ev): -31.6097 -31.6097 -12.6881 -12.6881 -11.2792 -11.2792 -11.2572 -11.2572 -3.5271 -3.5271 -3.5193 -3.5193 -2.7337 -2.7337 -2.6334 -2.6334 -2.6211 -2.6211 7.1899 7.1899 8.9939 8.9939 9.2057 9.2057 11.0214 11.0214 13.5190 13.5190 13.7931 13.7931 14.5613 14.5613 k = 0.3667 0.5000 0.3667 ( 1602 PWs) bands (ev): -31.6102 -31.6102 -12.6864 -12.6864 -11.2786 -11.2786 -11.2537 -11.2537 -3.5284 -3.5284 -3.5198 -3.5198 -2.7335 -2.7335 -2.6361 -2.6361 -2.6222 -2.6222 7.1052 7.1052 9.0091 9.0091 9.2468 9.2468 11.1811 11.1811 13.4166 13.4166 13.6975 13.6975 14.5112 14.5112 k = 0.3583 0.5000 0.3583 ( 1602 PWs) bands (ev): -31.6106 -31.6106 -12.6847 -12.6847 -11.2780 -11.2780 -11.2500 -11.2500 -3.5298 -3.5298 -3.5202 -3.5202 -2.7333 -2.7333 -2.6388 -2.6388 -2.6233 -2.6233 7.0233 7.0233 9.0211 9.0211 9.2909 9.2909 11.3409 11.3409 13.3212 13.3212 13.6034 13.6034 14.4618 14.4618 k = 0.3500 0.5000 0.3500 ( 1598 PWs) bands (ev): -31.6111 -31.6111 -12.6830 -12.6830 -11.2773 -11.2773 -11.2461 -11.2461 -3.5311 -3.5311 -3.5207 -3.5207 -2.7331 -2.7331 -2.6416 -2.6416 -2.6245 -2.6245 6.9443 6.9443 9.0294 9.0294 9.3381 9.3381 11.5000 11.5000 13.2336 13.2336 13.5110 13.5110 14.4138 14.4138 k = 0.3417 0.5000 0.3417 ( 1598 PWs) bands (ev): -31.6116 -31.6116 -12.6811 -12.6811 -11.2766 -11.2766 -11.2421 -11.2421 -3.5325 -3.5325 -3.5212 -3.5212 -2.7328 -2.7328 -2.6444 -2.6444 -2.6257 -2.6257 6.8681 6.8681 9.0333 9.0333 9.3881 9.3881 11.6578 11.6578 13.1548 13.1548 13.4203 13.4203 14.3680 14.3680 k = 0.3333 0.5000 0.3333 ( 1604 PWs) bands (ev): -31.6122 -31.6122 -12.6793 -12.6793 -11.2758 -11.2758 -11.2380 -11.2380 -3.5338 -3.5338 -3.5217 -3.5217 -2.7324 -2.7324 -2.6474 -2.6474 -2.6269 -2.6269 6.7946 6.7946 9.0323 9.0323 9.4410 9.4410 11.8132 11.8132 13.0855 13.0855 13.3313 13.3313 14.3257 14.3257 k = 0.3250 0.5000 0.3250 ( 1604 PWs) bands (ev): -31.6127 -31.6127 -12.6773 -12.6773 -11.2751 -11.2751 -11.2337 -11.2337 -3.5351 -3.5351 -3.5222 -3.5222 -2.7320 -2.7320 -2.6503 -2.6503 -2.6281 -2.6281 6.7239 6.7239 9.0259 9.0259 9.4966 9.4966 11.9649 11.9649 13.0264 13.0264 13.2443 13.2443 14.2882 14.2882 k = 0.3167 0.5000 0.3167 ( 1592 PWs) bands (ev): -31.6132 -31.6132 -12.6754 -12.6754 -11.2744 -11.2744 -11.2294 -11.2294 -3.5364 -3.5364 -3.5227 -3.5227 -2.7315 -2.7315 -2.6533 -2.6533 -2.6294 -2.6294 6.6559 6.6559 9.0137 9.0137 9.5548 9.5548 12.1111 12.1111 12.9778 12.9778 13.1595 13.1595 14.2572 14.2572 k = 0.3083 0.5000 0.3083 ( 1596 PWs) bands (ev): -31.6138 -31.6138 -12.6734 -12.6734 -11.2736 -11.2736 -11.2249 -11.2249 -3.5376 -3.5376 -3.5232 -3.5232 -2.7310 -2.7310 -2.6563 -2.6563 -2.6306 -2.6306 6.5906 6.5906 8.9954 8.9954 9.6154 9.6154 12.2498 12.2498 12.9396 12.9396 13.0774 13.0774 14.2349 14.2349 k = 0.3000 0.5000 0.3000 ( 1596 PWs) bands (ev): -31.6144 -31.6144 -12.6713 -12.6713 -11.2728 -11.2728 -11.2203 -11.2203 -3.5388 -3.5388 -3.5237 -3.5237 -2.7303 -2.7303 -2.6593 -2.6593 -2.6318 -2.6318 6.5280 6.5280 8.9709 8.9709 9.6785 9.6785 12.3782 12.3782 12.9105 12.9105 12.9999 12.9999 14.2240 14.2240 k = 0.2917 0.5000 0.2917 ( 1588 PWs) bands (ev): -31.6149 -31.6149 -12.6693 -12.6693 -11.2720 -11.2720 -11.2157 -11.2157 -3.5400 -3.5400 -3.5242 -3.5242 -2.7296 -2.7296 -2.6622 -2.6622 -2.6331 -2.6331 6.4680 6.4680 8.9401 8.9401 9.7437 9.7437 12.4928 12.4928 12.8798 12.8798 12.9381 12.9381 14.2277 14.2277 k = 0.2833 0.5000 0.2833 ( 1584 PWs) bands (ev): -31.6155 -31.6155 -12.6672 -12.6672 -11.2712 -11.2712 -11.2109 -11.2109 -3.5411 -3.5411 -3.5246 -3.5246 -2.7288 -2.7288 -2.6652 -2.6652 -2.6343 -2.6343 6.4105 6.4105 8.9033 8.9033 9.8111 9.8111 12.5897 12.5897 12.8229 12.8229 12.9171 12.9171 14.2491 14.2491 k = 0.2750 0.5000 0.2750 ( 1584 PWs) bands (ev): -31.6161 -31.6161 -12.6651 -12.6651 -11.2704 -11.2704 -11.2062 -11.2062 -3.5422 -3.5422 -3.5251 -3.5251 -2.7279 -2.7279 -2.6681 -2.6681 -2.6355 -2.6355 6.3556 6.3556 8.8605 8.8605 9.8805 9.8805 12.6614 12.6614 12.7589 12.7589 12.9224 12.9224 14.2911 14.2911 k = 0.2667 0.5000 0.2667 ( 1582 PWs) bands (ev): -31.6167 -31.6167 -12.6631 -12.6631 -11.2696 -11.2696 -11.2014 -11.2014 -3.5432 -3.5432 -3.5255 -3.5255 -2.7270 -2.7270 -2.6710 -2.6710 -2.6367 -2.6367 6.3032 6.3032 8.8123 8.8123 9.9518 9.9518 12.6596 12.6596 12.7464 12.7464 12.9416 12.9416 14.3555 14.3555 k = 0.2583 0.5000 0.2583 ( 1582 PWs) bands (ev): -31.6174 -31.6174 -12.6610 -12.6610 -11.2688 -11.2688 -11.1965 -11.1965 -3.5441 -3.5441 -3.5259 -3.5259 -2.7260 -2.7260 -2.6738 -2.6738 -2.6379 -2.6379 6.2533 6.2533 8.7591 8.7591 10.0249 10.0249 12.5963 12.5963 12.7761 12.7761 12.9714 12.9714 14.4421 14.4421 k = 0.2500 0.5000 0.2500 ( 1582 PWs) bands (ev): -31.6180 -31.6180 -12.6589 -12.6589 -11.2681 -11.2681 -11.1917 -11.1917 -3.5450 -3.5450 -3.5262 -3.5262 -2.7249 -2.7249 -2.6765 -2.6765 -2.6390 -2.6390 6.2058 6.2058 8.7015 8.7015 10.0996 10.0996 12.5282 12.5282 12.7938 12.7938 13.0104 13.0104 14.5492 14.5492 k = 0.2417 0.5000 0.2417 ( 1582 PWs) bands (ev): -31.6186 -31.6186 -12.6569 -12.6569 -11.2673 -11.2673 -11.1868 -11.1868 -3.5459 -3.5459 -3.5265 -3.5265 -2.7237 -2.7237 -2.6791 -2.6791 -2.6401 -2.6401 6.1606 6.1606 8.6401 8.6401 10.1757 10.1757 12.4608 12.4608 12.7967 12.7967 13.0578 13.0578 14.6740 14.6740 k = 0.2333 0.5000 0.2333 ( 1578 PWs) bands (ev): -31.6192 -31.6192 -12.6549 -12.6549 -11.2665 -11.2665 -11.1820 -11.1820 -3.5466 -3.5466 -3.5268 -3.5268 -2.7225 -2.7225 -2.6817 -2.6817 -2.6412 -2.6412 6.1177 6.1177 8.5755 8.5755 10.2532 10.2532 12.3950 12.3950 12.7869 12.7869 13.1133 13.1133 14.8133 14.8133 k = 0.2250 0.5000 0.2250 ( 1590 PWs) bands (ev): -31.6198 -31.6198 -12.6529 -12.6529 -11.2657 -11.2657 -11.1772 -11.1772 -3.5474 -3.5474 -3.5270 -3.5270 -2.7213 -2.7213 -2.6841 -2.6841 -2.6423 -2.6423 6.0771 6.0771 8.5083 8.5083 10.3319 10.3319 12.3310 12.3310 12.7670 12.7670 13.1761 13.1761 14.9640 14.9640 k = 0.2167 0.5000 0.2167 ( 1590 PWs) bands (ev): -31.6204 -31.6204 -12.6509 -12.6509 -11.2650 -11.2650 -11.1724 -11.1724 -3.5480 -3.5480 -3.5272 -3.5272 -2.7200 -2.7200 -2.6863 -2.6863 -2.6433 -2.6433 6.0387 6.0387 8.4392 8.4392 10.4116 10.4116 12.2690 12.2690 12.7394 12.7394 13.2455 13.2455 15.1235 15.1235 k = 0.2083 0.5000 0.2083 ( 1590 PWs) bands (ev): -31.6210 -31.6210 -12.6490 -12.6490 -11.2642 -11.2642 -11.1677 -11.1677 -3.5487 -3.5487 -3.5273 -3.5273 -2.7187 -2.7187 -2.6885 -2.6885 -2.6443 -2.6443 6.0025 6.0025 8.3688 8.3688 10.4922 10.4922 12.2091 12.2091 12.7061 12.7061 13.3204 13.3204 15.2896 15.2896 k = 0.2000 0.5000 0.2000 ( 1598 PWs) bands (ev): -31.6217 -31.6217 -12.6471 -12.6471 -11.2635 -11.2635 -11.1630 -11.1630 -3.5493 -3.5493 -3.5274 -3.5274 -2.7174 -2.7174 -2.6904 -2.6904 -2.6453 -2.6453 5.9683 5.9683 8.2975 8.2975 10.5734 10.5734 12.1512 12.1512 12.6687 12.6687 13.4000 13.4000 15.4607 15.4607 k = 0.1917 0.5000 0.1917 ( 1590 PWs) bands (ev): -31.6222 -31.6222 -12.6453 -12.6453 -11.2628 -11.2628 -11.1584 -11.1584 -3.5498 -3.5498 -3.5274 -3.5274 -2.7162 -2.7162 -2.6921 -2.6921 -2.6462 -2.6462 5.9362 5.9362 8.2260 8.2260 10.6551 10.6551 12.0955 12.0955 12.6285 12.6285 13.4835 13.4835 15.6352 15.6352 k = 0.1833 0.5000 0.1833 ( 1596 PWs) bands (ev): -31.6228 -31.6228 -12.6435 -12.6435 -11.2621 -11.2621 -11.1539 -11.1539 -3.5503 -3.5503 -3.5273 -3.5273 -2.7151 -2.7151 -2.6936 -2.6936 -2.6470 -2.6470 5.9060 5.9060 8.1548 8.1548 10.7370 10.7370 12.0420 12.0420 12.5864 12.5864 13.5699 13.5699 15.8120 15.8120 k = 0.1750 0.5000 0.1750 ( 1596 PWs) bands (ev): -31.6234 -31.6234 -12.6418 -12.6418 -11.2614 -11.2614 -11.1495 -11.1495 -3.5508 -3.5508 -3.5272 -3.5272 -2.7142 -2.7142 -2.6947 -2.6947 -2.6479 -2.6479 5.8777 5.8777 8.0842 8.0842 10.8189 10.8189 11.9907 11.9907 12.5433 12.5433 13.6584 13.6584 15.9618 15.9618 k = 0.1667 0.5000 0.1667 ( 1596 PWs) bands (ev): -31.6239 -31.6239 -12.6401 -12.6401 -11.2607 -11.2607 -11.1453 -11.1453 -3.5512 -3.5512 -3.5271 -3.5271 -2.7135 -2.7135 -2.6955 -2.6955 -2.6486 -2.6486 5.8513 5.8513 8.0147 8.0147 10.9006 10.9006 11.9416 11.9416 12.4998 12.4998 13.7482 13.7482 15.9493 15.9493 k = 0.1583 0.5000 0.1583 ( 1596 PWs) bands (ev): -31.6244 -31.6244 -12.6385 -12.6385 -11.2601 -11.2601 -11.1411 -11.1411 -3.5517 -3.5517 -3.5269 -3.5269 -2.7131 -2.7131 -2.6959 -2.6959 -2.6494 -2.6494 5.8267 5.8267 7.9467 7.9467 10.9818 10.9818 11.8948 11.8948 12.4565 12.4565 13.8383 13.8383 15.9364 15.9364 k = 0.1500 0.5000 0.1500 ( 1592 PWs) bands (ev): -31.6249 -31.6249 -12.6370 -12.6370 -11.2595 -11.2595 -11.1371 -11.1371 -3.5521 -3.5521 -3.5267 -3.5267 -2.7130 -2.7130 -2.6958 -2.6958 -2.6500 -2.6500 5.8038 5.8038 7.8805 7.8805 11.0622 11.0622 11.8502 11.8502 12.4137 12.4137 13.9280 13.9280 15.9242 15.9242 k = 0.1417 0.5000 0.1417 ( 1596 PWs) bands (ev): -31.6254 -31.6254 -12.6355 -12.6355 -11.2589 -11.2589 -11.1333 -11.1333 -3.5524 -3.5524 -3.5264 -3.5264 -2.7132 -2.7132 -2.6953 -2.6953 -2.6507 -2.6507 5.7826 5.7826 7.8164 7.8164 11.1414 11.1414 11.8079 11.8079 12.3718 12.3718 14.0165 14.0165 15.9127 15.9127 k = 0.1333 0.5000 0.1333 ( 1596 PWs) bands (ev): -31.6259 -31.6259 -12.6341 -12.6341 -11.2583 -11.2583 -11.1296 -11.1296 -3.5528 -3.5528 -3.5261 -3.5261 -2.7136 -2.7136 -2.6946 -2.6946 -2.6513 -2.6513 5.7630 5.7630 7.7546 7.7546 11.2192 11.2192 11.7680 11.7680 12.3311 12.3311 14.1029 14.1029 15.9022 15.9022 k = 0.1250 0.5000 0.1250 ( 1596 PWs) bands (ev): -31.6263 -31.6263 -12.6328 -12.6328 -11.2578 -11.2578 -11.1260 -11.1260 -3.5531 -3.5531 -3.5258 -3.5258 -2.7142 -2.7142 -2.6936 -2.6936 -2.6518 -2.6518 5.7449 5.7449 7.6955 7.6955 11.2951 11.2951 11.7304 11.7304 12.2919 12.2919 14.1866 14.1866 15.8926 15.8926 k = 0.1167 0.5000 0.1167 ( 1596 PWs) bands (ev): -31.6268 -31.6268 -12.6315 -12.6315 -11.2573 -11.2573 -11.1227 -11.1227 -3.5535 -3.5535 -3.5254 -3.5254 -2.7149 -2.7149 -2.6924 -2.6924 -2.6523 -2.6523 5.7284 5.7284 7.6393 7.6393 11.3689 11.3689 11.6951 11.6951 12.2546 12.2546 14.2668 14.2668 15.8841 15.8841 k = 0.1083 0.5000 0.1083 ( 1598 PWs) bands (ev): -31.6272 -31.6272 -12.6304 -12.6304 -11.2568 -11.2568 -11.1195 -11.1195 -3.5538 -3.5538 -3.5250 -3.5250 -2.7155 -2.7155 -2.6912 -2.6912 -2.6527 -2.6527 5.7132 5.7132 7.5861 7.5861 11.4399 11.4399 11.6623 11.6623 12.2192 12.2192 14.3429 14.3429 15.8765 15.8765 k = 0.1000 0.5000 0.1000 ( 1594 PWs) bands (ev): -31.6275 -31.6275 -12.6293 -12.6293 -11.2564 -11.2564 -11.1166 -11.1166 -3.5540 -3.5540 -3.5246 -3.5246 -2.7162 -2.7162 -2.6899 -2.6899 -2.6531 -2.6531 5.6994 5.6994 7.5362 7.5362 11.5077 11.5077 11.6321 11.6321 12.1860 12.1860 14.4143 14.4143 15.8701 15.8701 k = 0.0917 0.5000 0.0917 ( 1598 PWs) bands (ev): -31.6279 -31.6279 -12.6283 -12.6283 -11.2560 -11.2560 -11.1138 -11.1138 -3.5543 -3.5543 -3.5242 -3.5242 -2.7169 -2.7169 -2.6887 -2.6887 -2.6535 -2.6535 5.6870 5.6870 7.4897 7.4897 11.5704 11.5704 11.6057 11.6057 12.1553 12.1553 14.4805 14.4805 15.8646 15.8646 k = 0.0833 0.5000 0.0833 ( 1594 PWs) bands (ev): -31.6282 -31.6282 -12.6273 -12.6273 -11.2556 -11.2556 -11.1113 -11.1113 -3.5546 -3.5546 -3.5239 -3.5239 -2.7175 -2.7175 -2.6874 -2.6874 -2.6538 -2.6538 5.6758 5.6758 7.4468 7.4468 11.5761 11.5761 11.6347 11.6347 12.1273 12.1273 14.5413 14.5413 15.8602 15.8602 k = 0.0750 0.5000 0.0750 ( 1602 PWs) bands (ev): -31.6285 -31.6285 -12.6265 -12.6265 -11.2552 -11.2552 -11.1090 -11.1090 -3.5548 -3.5548 -3.5235 -3.5235 -2.7181 -2.7181 -2.6863 -2.6863 -2.6541 -2.6541 5.6658 5.6658 7.4075 7.4075 11.5535 11.5535 11.6896 11.6896 12.1024 12.1024 14.5963 14.5963 15.8567 15.8567 k = 0.0667 0.5000 0.0667 ( 1602 PWs) bands (ev): -31.6288 -31.6288 -12.6257 -12.6257 -11.2549 -11.2549 -11.1069 -11.1069 -3.5550 -3.5550 -3.5231 -3.5231 -2.7186 -2.7186 -2.6852 -2.6852 -2.6543 -2.6543 5.6571 5.6571 7.3721 7.3721 11.5328 11.5328 11.7397 11.7397 12.0807 12.0807 14.6453 14.6453 15.8541 15.8541 k = 0.0583 0.5000 0.0583 ( 1602 PWs) bands (ev): -31.6290 -31.6290 -12.6251 -12.6251 -11.2547 -11.2547 -11.1050 -11.1050 -3.5552 -3.5552 -3.5228 -3.5228 -2.7191 -2.7191 -2.6842 -2.6842 -2.6545 -2.6545 5.6494 5.6494 7.3406 7.3406 11.5144 11.5144 11.7839 11.7839 12.0628 12.0628 14.6883 14.6883 15.8522 15.8522 k = 0.0500 0.5000 0.0500 ( 1602 PWs) bands (ev): -31.6292 -31.6292 -12.6245 -12.6245 -11.2544 -11.2544 -11.1034 -11.1034 -3.5553 -3.5553 -3.5225 -3.5225 -2.7195 -2.7195 -2.6834 -2.6834 -2.6546 -2.6546 5.6429 5.6429 7.3132 7.3132 11.4985 11.4985 11.8211 11.8211 12.0491 12.0491 14.7252 14.7252 15.8510 15.8510 k = 0.0417 0.5000 0.0417 ( 1602 PWs) bands (ev): -31.6294 -31.6294 -12.6240 -12.6240 -11.2542 -11.2542 -11.1020 -11.1020 -3.5555 -3.5555 -3.5223 -3.5223 -2.7199 -2.7199 -2.6826 -2.6826 -2.6548 -2.6548 5.6374 5.6374 7.2898 7.2898 11.4849 11.4849 11.8506 11.8506 12.0402 12.0402 14.7562 14.7562 15.8503 15.8503 k = 0.0333 0.5000 0.0333 ( 1602 PWs) bands (ev): -31.6296 -31.6296 -12.6236 -12.6236 -11.2540 -11.2540 -11.1009 -11.1009 -3.5556 -3.5556 -3.5221 -3.5221 -2.7201 -2.7201 -2.6820 -2.6820 -2.6549 -2.6549 5.6330 5.6330 7.2706 7.2706 11.4738 11.4738 11.8720 11.8720 12.0361 12.0361 14.7813 14.7813 15.8499 15.8499 k = 0.0250 0.5000 0.0250 ( 1606 PWs) bands (ev): -31.6297 -31.6297 -12.6233 -12.6233 -11.2539 -11.2539 -11.1000 -11.1000 -3.5557 -3.5557 -3.5219 -3.5219 -2.7204 -2.7204 -2.6815 -2.6815 -2.6549 -2.6549 5.6295 5.6295 7.2556 7.2556 11.4652 11.4652 11.8858 11.8858 12.0361 12.0361 14.8007 14.8007 15.8498 15.8498 k = 0.0167 0.5000 0.0167 ( 1616 PWs) bands (ev): -31.6298 -31.6298 -12.6231 -12.6231 -11.2538 -11.2538 -11.0993 -11.0993 -3.5558 -3.5558 -3.5218 -3.5218 -2.7205 -2.7205 -2.6812 -2.6812 -2.6550 -2.6550 5.6271 5.6271 7.2449 7.2449 11.4590 11.4590 11.8935 11.8935 12.0384 12.0384 14.8144 14.8144 15.8497 15.8497 k = 0.0083 0.5000 0.0083 ( 1622 PWs) bands (ev): -31.6299 -31.6299 -12.6229 -12.6229 -11.2538 -11.2538 -11.0990 -11.0990 -3.5558 -3.5558 -3.5217 -3.5217 -2.7206 -2.7206 -2.6810 -2.6810 -2.6550 -2.6550 5.6256 5.6256 7.2384 7.2384 11.4553 11.4553 11.8972 11.8972 12.0408 12.0408 14.8226 14.8226 15.8498 15.8498 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -31.6299 -31.6299 -12.6229 -12.6229 -11.2537 -11.2537 -11.0988 -11.0988 -3.5558 -3.5558 -3.5217 -3.5217 -2.7207 -2.7207 -2.6809 -2.6809 -2.6550 -2.6550 5.6251 5.6251 7.2363 7.2363 11.4541 11.4541 11.8982 11.8982 12.0417 12.0417 14.8253 14.8253 15.8498 15.8498 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -31.6181 -31.6181 -12.6614 -12.6614 -11.3041 -11.3041 -11.1448 -11.1448 -3.5574 -3.5574 -3.5381 -3.5381 -2.7396 -2.7396 -2.7040 -2.7040 -2.6223 -2.6223 6.1230 6.1230 9.7968 9.7968 9.8824 9.8824 10.9320 10.9320 13.4593 13.4593 13.4833 13.4833 15.9324 15.9324 k = 0.5000 0.5000 0.0119 ( 1620 PWs) bands (ev): -31.6181 -31.6181 -12.6615 -12.6615 -11.3041 -11.3041 -11.1450 -11.1450 -3.5573 -3.5573 -3.5381 -3.5381 -2.7396 -2.7396 -2.7038 -2.7038 -2.6223 -2.6223 6.1245 6.1245 9.7949 9.7949 9.8807 9.8807 10.9351 10.9351 13.4613 13.4613 13.4855 13.4855 15.9245 15.9245 k = 0.5000 0.5000 0.0238 ( 1612 PWs) bands (ev): -31.6180 -31.6180 -12.6616 -12.6616 -11.3040 -11.3040 -11.1456 -11.1456 -3.5571 -3.5571 -3.5380 -3.5380 -2.7395 -2.7395 -2.7035 -2.7035 -2.6223 -2.6223 6.1289 6.1289 9.7894 9.7894 9.8756 9.8756 10.9443 10.9443 13.4674 13.4674 13.4922 13.4922 15.8604 15.8604 k = 0.5000 0.5000 0.0357 ( 1612 PWs) bands (ev): -31.6179 -31.6179 -12.6618 -12.6618 -11.3039 -11.3039 -11.1466 -11.1466 -3.5568 -3.5568 -3.5378 -3.5378 -2.7395 -2.7395 -2.7029 -2.7029 -2.6222 -2.6222 6.1362 6.1362 9.7803 9.7803 9.8670 9.8670 10.9596 10.9596 13.4775 13.4775 13.5032 13.5032 15.7155 15.7155 k = 0.5000 0.5000 0.0476 ( 1612 PWs) bands (ev): -31.6178 -31.6178 -12.6622 -12.6622 -11.3037 -11.3037 -11.1481 -11.1481 -3.5564 -3.5564 -3.5376 -3.5376 -2.7394 -2.7394 -2.7020 -2.7020 -2.6221 -2.6221 6.1465 6.1465 9.7677 9.7677 9.8552 9.8552 10.9810 10.9810 13.4915 13.4915 13.5185 13.5185 15.5433 15.5433 k = 0.5000 0.5000 0.0595 ( 1612 PWs) bands (ev): -31.6177 -31.6177 -12.6626 -12.6626 -11.3035 -11.3035 -11.1499 -11.1499 -3.5558 -3.5558 -3.5373 -3.5373 -2.7393 -2.7393 -2.7010 -2.7010 -2.6220 -2.6220 6.1596 6.1596 9.7518 9.7518 9.8403 9.8403 11.0085 11.0085 13.5093 13.5093 13.5380 13.5380 15.3597 15.3597 k = 0.5000 0.5000 0.0714 ( 1616 PWs) bands (ev): -31.6175 -31.6175 -12.6631 -12.6631 -11.3032 -11.3032 -11.1521 -11.1521 -3.5551 -3.5551 -3.5369 -3.5369 -2.7392 -2.7392 -2.6997 -2.6997 -2.6219 -2.6219 6.1758 6.1758 9.7327 9.7327 9.8224 9.8224 11.0421 11.0421 13.5308 13.5308 13.5614 13.5614 15.1696 15.1696 k = 0.5000 0.5000 0.0833 ( 1608 PWs) bands (ev): -31.6173 -31.6173 -12.6638 -12.6638 -11.3028 -11.3028 -11.1547 -11.1547 -3.5543 -3.5543 -3.5365 -3.5365 -2.7390 -2.7390 -2.6982 -2.6982 -2.6217 -2.6217 6.1949 6.1949 9.7106 9.7106 9.8017 9.8017 11.0817 11.0817 13.5558 13.5558 13.5887 13.5887 14.9755 14.9755 k = 0.5000 0.5000 0.0952 ( 1608 PWs) bands (ev): -31.6170 -31.6170 -12.6645 -12.6645 -11.3024 -11.3024 -11.1576 -11.1576 -3.5534 -3.5534 -3.5360 -3.5360 -2.7389 -2.7389 -2.6964 -2.6964 -2.6216 -2.6216 6.2169 6.2169 9.6857 9.6857 9.7784 9.7784 11.1272 11.1272 13.5842 13.5842 13.6196 13.6196 14.7788 14.7788 k = 0.5000 0.5000 0.1071 ( 1600 PWs) bands (ev): -31.6167 -31.6167 -12.6652 -12.6652 -11.3020 -11.3020 -11.1609 -11.1609 -3.5524 -3.5524 -3.5354 -3.5354 -2.7387 -2.7387 -2.6945 -2.6945 -2.6214 -2.6214 6.2419 6.2419 9.6584 9.6584 9.7527 9.7527 11.1787 11.1787 13.6157 13.6157 13.6538 13.6538 14.5804 14.5804 k = 0.5000 0.5000 0.1190 ( 1600 PWs) bands (ev): -31.6165 -31.6165 -12.6661 -12.6661 -11.3015 -11.3015 -11.1645 -11.1645 -3.5513 -3.5513 -3.5348 -3.5348 -2.7385 -2.7385 -2.6924 -2.6924 -2.6211 -2.6211 6.2699 6.2699 9.6288 9.6288 9.7249 9.7249 11.2361 11.2361 13.6502 13.6502 13.6910 13.6910 14.3812 14.3812 k = 0.5000 0.5000 0.1310 ( 1600 PWs) bands (ev): -31.6161 -31.6161 -12.6671 -12.6671 -11.3010 -11.3010 -11.1684 -11.1684 -3.5501 -3.5501 -3.5342 -3.5342 -2.7383 -2.7383 -2.6900 -2.6900 -2.6209 -2.6209 6.3009 6.3009 9.5973 9.5973 9.6952 9.6952 11.2993 11.2993 13.6874 13.6874 13.7307 13.7307 14.1819 14.1819 k = 0.5000 0.5000 0.1429 ( 1600 PWs) bands (ev): -31.6158 -31.6158 -12.6681 -12.6681 -11.3004 -11.3004 -11.1725 -11.1725 -3.5488 -3.5488 -3.5335 -3.5335 -2.7381 -2.7381 -2.6875 -2.6875 -2.6206 -2.6206 6.3348 6.3348 9.5640 9.5640 9.6639 9.6639 11.3683 11.3683 13.7272 13.7272 13.7709 13.7709 13.9846 13.9846 k = 0.5000 0.5000 0.1548 ( 1600 PWs) bands (ev): -31.6155 -31.6155 -12.6692 -12.6692 -11.2998 -11.2998 -11.1769 -11.1769 -3.5475 -3.5475 -3.5328 -3.5328 -2.7379 -2.7379 -2.6849 -2.6849 -2.6204 -2.6204 6.3718 6.3718 9.5292 9.5292 9.6311 9.6311 11.4430 11.4430 13.7589 13.7589 13.7693 13.7693 13.8423 13.8423 k = 0.5000 0.5000 0.1667 ( 1616 PWs) bands (ev): -31.6151 -31.6151 -12.6704 -12.6704 -11.2992 -11.2992 -11.1814 -11.1814 -3.5461 -3.5461 -3.5321 -3.5321 -2.7377 -2.7377 -2.6821 -2.6821 -2.6201 -2.6201 6.4118 6.4118 9.4933 9.4933 9.5973 9.5973 11.5233 11.5233 13.5745 13.5745 13.8135 13.8135 13.8752 13.8752 k = 0.5000 0.5000 0.1786 ( 1592 PWs) bands (ev): -31.6147 -31.6147 -12.6716 -12.6716 -11.2985 -11.2985 -11.1862 -11.1862 -3.5446 -3.5446 -3.5313 -3.5313 -2.7374 -2.7374 -2.6791 -2.6791 -2.6198 -2.6198 6.4548 6.4548 9.4565 9.4565 9.5625 9.5625 11.6091 11.6091 13.3775 13.3775 13.8597 13.8597 13.9236 13.9236 k = 0.5000 0.5000 0.1905 ( 1592 PWs) bands (ev): -31.6143 -31.6143 -12.6729 -12.6729 -11.2978 -11.2978 -11.1911 -11.1911 -3.5431 -3.5431 -3.5305 -3.5305 -2.7372 -2.7372 -2.6760 -2.6760 -2.6194 -2.6194 6.5009 6.5009 9.4189 9.4189 9.5270 9.5270 11.7004 11.7004 13.1804 13.1804 13.9075 13.9075 13.9750 13.9750 k = 0.5000 0.5000 0.2024 ( 1592 PWs) bands (ev): -31.6138 -31.6138 -12.6742 -12.6742 -11.2971 -11.2971 -11.1962 -11.1962 -3.5416 -3.5416 -3.5296 -3.5296 -2.7370 -2.7370 -2.6728 -2.6728 -2.6191 -2.6191 6.5500 6.5500 9.3810 9.3810 9.4911 9.4911 11.7970 11.7970 12.9841 12.9841 13.9568 13.9568 14.0283 14.0283 k = 0.5000 0.5000 0.2143 ( 1600 PWs) bands (ev): -31.6135 -31.6135 -12.6756 -12.6756 -11.2964 -11.2964 -11.2013 -11.2013 -3.5400 -3.5400 -3.5288 -3.5288 -2.7367 -2.7367 -2.6696 -2.6696 -2.6187 -2.6187 6.6022 6.6022 9.3428 9.3428 9.4550 9.4550 11.8988 11.8988 12.7891 12.7891 14.0073 14.0073 14.0831 14.0831 k = 0.5000 0.5000 0.2262 ( 1596 PWs) bands (ev): -31.6130 -31.6130 -12.6770 -12.6770 -11.2957 -11.2957 -11.2065 -11.2065 -3.5385 -3.5385 -3.5280 -3.5280 -2.7365 -2.7365 -2.6662 -2.6662 -2.6184 -2.6184 6.6575 6.6575 9.3046 9.3046 9.4189 9.4189 12.0058 12.0058 12.5957 12.5957 14.0589 14.0589 14.1391 14.1391 k = 0.5000 0.5000 0.2381 ( 1596 PWs) bands (ev): -31.6126 -31.6126 -12.6784 -12.6784 -11.2949 -11.2949 -11.2117 -11.2117 -3.5369 -3.5369 -3.5271 -3.5271 -2.7363 -2.7363 -2.6628 -2.6628 -2.6180 -2.6180 6.7159 6.7159 9.2667 9.2667 9.3829 9.3829 12.1177 12.1177 12.4039 12.4039 14.1113 14.1113 14.1960 14.1960 k = 0.5000 0.5000 0.2500 ( 1596 PWs) bands (ev): -31.6121 -31.6121 -12.6799 -12.6799 -11.2942 -11.2942 -11.2169 -11.2169 -3.5353 -3.5353 -3.5263 -3.5263 -2.7360 -2.7360 -2.6594 -2.6594 -2.6176 -2.6176 6.7774 6.7774 9.2291 9.2291 9.3473 9.3473 12.2140 12.2140 12.2345 12.2345 14.1643 14.1643 14.2537 14.2537 k = 0.5000 0.5000 0.2619 ( 1596 PWs) bands (ev): -31.6117 -31.6117 -12.6814 -12.6814 -11.2935 -11.2935 -11.2221 -11.2221 -3.5338 -3.5338 -3.5254 -3.5254 -2.7358 -2.7358 -2.6560 -2.6560 -2.6172 -2.6172 6.8420 6.8420 9.1922 9.1922 9.3123 9.3123 12.0261 12.0261 12.3560 12.3560 14.2177 14.2177 14.3118 14.3118 k = 0.5000 0.5000 0.2738 ( 1596 PWs) bands (ev): -31.6113 -31.6113 -12.6829 -12.6829 -11.2927 -11.2927 -11.2273 -11.2273 -3.5322 -3.5322 -3.5246 -3.5246 -2.7356 -2.7356 -2.6525 -2.6525 -2.6168 -2.6168 6.9097 6.9097 9.1560 9.1560 9.2780 9.2780 11.8403 11.8403 12.4820 12.4820 14.2713 14.2713 14.3700 14.3700 k = 0.5000 0.5000 0.2857 ( 1596 PWs) bands (ev): -31.6108 -31.6108 -12.6844 -12.6844 -11.2920 -11.2920 -11.2323 -11.2323 -3.5307 -3.5307 -3.5238 -3.5238 -2.7354 -2.7354 -2.6491 -2.6491 -2.6164 -2.6164 6.9807 6.9807 9.1208 9.1208 9.2445 9.2445 11.6568 11.6568 12.6123 12.6123 14.3247 14.3247 14.4283 14.4283 k = 0.5000 0.5000 0.2976 ( 1596 PWs) bands (ev): -31.6104 -31.6104 -12.6858 -12.6858 -11.2913 -11.2913 -11.2373 -11.2373 -3.5292 -3.5292 -3.5230 -3.5230 -2.7352 -2.7352 -2.6457 -2.6457 -2.6160 -2.6160 7.0547 7.0547 9.0867 9.0867 9.2121 9.2121 11.4756 11.4756 12.7468 12.7468 14.3779 14.3779 14.4862 14.4862 k = 0.5000 0.5000 0.3095 ( 1600 PWs) bands (ev): -31.6100 -31.6100 -12.6873 -12.6873 -11.2906 -11.2906 -11.2421 -11.2421 -3.5278 -3.5278 -3.5222 -3.5222 -2.7350 -2.7350 -2.6424 -2.6424 -2.6156 -2.6156 7.1320 7.1320 9.0538 9.0538 9.1808 9.1808 11.2969 11.2969 12.8852 12.8852 14.4304 14.4304 14.5434 14.5434 k = 0.5000 0.5000 0.3214 ( 1600 PWs) bands (ev): -31.6096 -31.6096 -12.6887 -12.6887 -11.2899 -11.2899 -11.2467 -11.2467 -3.5264 -3.5264 -3.5214 -3.5214 -2.7348 -2.7348 -2.6392 -2.6392 -2.6153 -2.6153 7.2124 7.2124 9.0223 9.0223 9.1509 9.1509 11.1206 11.1206 13.0272 13.0272 14.4822 14.4822 14.5998 14.5998 k = 0.5000 0.5000 0.3333 ( 1588 PWs) bands (ev): -31.6092 -31.6092 -12.6901 -12.6901 -11.2892 -11.2892 -11.2512 -11.2512 -3.5251 -3.5251 -3.5207 -3.5207 -2.7346 -2.7346 -2.6360 -2.6360 -2.6149 -2.6149 7.2960 7.2960 8.9923 8.9923 9.1223 9.1223 10.9470 10.9470 13.1726 13.1726 14.5328 14.5328 14.6550 14.6550 k = 0.5000 0.5000 0.3452 ( 1596 PWs) bands (ev): -31.6088 -31.6088 -12.6914 -12.6914 -11.2886 -11.2886 -11.2554 -11.2554 -3.5238 -3.5238 -3.5200 -3.5200 -2.7345 -2.7345 -2.6330 -2.6330 -2.6145 -2.6145 7.3828 7.3828 8.9639 8.9639 9.0952 9.0952 10.7760 10.7760 13.3209 13.3209 14.5821 14.5821 14.7087 14.7087 k = 0.5000 0.5000 0.3571 ( 1596 PWs) bands (ev): -31.6085 -31.6085 -12.6927 -12.6927 -11.2880 -11.2880 -11.2595 -11.2595 -3.5227 -3.5227 -3.5194 -3.5194 -2.7344 -2.7344 -2.6302 -2.6302 -2.6142 -2.6142 7.4728 7.4728 8.9371 8.9371 9.0698 9.0698 10.6078 10.6078 13.4717 13.4717 14.6298 14.6298 14.7605 14.7605 k = 0.5000 0.5000 0.3690 ( 1604 PWs) bands (ev): -31.6082 -31.6082 -12.6939 -12.6939 -11.2874 -11.2874 -11.2632 -11.2632 -3.5216 -3.5216 -3.5188 -3.5188 -2.7342 -2.7342 -2.6275 -2.6275 -2.6139 -2.6139 7.5660 7.5660 8.9122 8.9122 9.0460 9.0460 10.4425 10.4425 13.6246 13.6246 14.6755 14.6755 14.8101 14.8101 k = 0.5000 0.5000 0.3810 ( 1604 PWs) bands (ev): -31.6078 -31.6078 -12.6950 -12.6950 -11.2869 -11.2869 -11.2667 -11.2667 -3.5205 -3.5205 -3.5182 -3.5182 -2.7341 -2.7341 -2.6249 -2.6249 -2.6136 -2.6136 7.6624 7.6624 8.8892 8.8892 9.0241 9.0241 10.2800 10.2800 13.7788 13.7788 14.7192 14.7192 14.8572 14.8572 k = 0.5000 0.5000 0.3929 ( 1604 PWs) bands (ev): -31.6076 -31.6076 -12.6961 -12.6961 -11.2864 -11.2864 -11.2700 -11.2700 -3.5196 -3.5196 -3.5177 -3.5177 -2.7340 -2.7340 -2.6226 -2.6226 -2.6133 -2.6133 7.7619 7.7619 8.8681 8.8681 9.0040 9.0040 10.1204 10.1204 13.9335 13.9335 14.7607 14.7607 14.9013 14.9013 k = 0.5000 0.5000 0.4048 ( 1604 PWs) bands (ev): -31.6073 -31.6073 -12.6971 -12.6971 -11.2860 -11.2860 -11.2729 -11.2729 -3.5187 -3.5187 -3.5172 -3.5172 -2.7339 -2.7339 -2.6204 -2.6204 -2.6130 -2.6130 7.8646 7.8646 8.8491 8.8491 8.9859 8.9859 9.9640 9.9640 14.0876 14.0876 14.7997 14.7997 14.9421 14.9421 k = 0.5000 0.5000 0.4167 ( 1604 PWs) bands (ev): -31.6071 -31.6071 -12.6979 -12.6979 -11.2856 -11.2856 -11.2755 -11.2755 -3.5180 -3.5180 -3.5168 -3.5168 -2.7338 -2.7338 -2.6185 -2.6185 -2.6128 -2.6128 7.9704 7.9704 8.8321 8.8321 8.9697 8.9697 9.8106 9.8106 14.2395 14.2395 14.8365 14.8365 14.9793 14.9793 k = 0.5000 0.5000 0.4286 ( 1604 PWs) bands (ev): -31.6069 -31.6069 -12.6987 -12.6987 -11.2852 -11.2852 -11.2778 -11.2778 -3.5173 -3.5173 -3.5164 -3.5164 -2.7337 -2.7337 -2.6168 -2.6168 -2.6126 -2.6126 8.0791 8.0791 8.8174 8.8174 8.9556 8.9556 9.6605 9.6605 14.3867 14.3867 14.8717 14.8717 15.0123 15.0123 k = 0.5000 0.5000 0.4405 ( 1596 PWs) bands (ev): -31.6067 -31.6067 -12.6994 -12.6994 -11.2849 -11.2849 -11.2797 -11.2797 -3.5167 -3.5167 -3.5161 -3.5161 -2.7337 -2.7337 -2.6154 -2.6154 -2.6124 -2.6124 8.1908 8.1908 8.8048 8.8048 8.9436 8.9436 9.5139 9.5139 14.5253 14.5253 14.9066 14.9066 15.0410 15.0410 k = 0.5000 0.5000 0.4524 ( 1596 PWs) bands (ev): -31.6065 -31.6065 -12.6999 -12.6999 -11.2847 -11.2847 -11.2814 -11.2814 -3.5163 -3.5163 -3.5159 -3.5159 -2.7336 -2.7336 -2.6142 -2.6142 -2.6123 -2.6123 8.3051 8.3051 8.7944 8.7944 8.9337 8.9337 9.3709 9.3709 14.6484 14.6484 14.9443 14.9443 15.0650 15.0650 k = 0.5000 0.5000 0.4643 ( 1596 PWs) bands (ev): -31.6064 -31.6064 -12.7003 -12.7003 -11.2845 -11.2845 -11.2826 -11.2826 -3.5159 -3.5159 -3.5157 -3.5157 -2.7336 -2.7336 -2.6132 -2.6132 -2.6121 -2.6121 8.4213 8.4213 8.7863 8.7863 8.9260 8.9260 9.2324 9.2324 14.7457 14.7457 14.9897 14.9897 15.0839 15.0839 k = 0.5000 0.5000 0.4762 ( 1592 PWs) bands (ev): -31.6063 -31.6063 -12.7006 -12.7006 -11.2844 -11.2844 -11.2835 -11.2835 -3.5156 -3.5156 -3.5155 -3.5155 -2.7335 -2.7335 -2.6125 -2.6125 -2.6121 -2.6121 8.5378 8.5378 8.7804 8.7804 8.9205 8.9205 9.1000 9.1000 14.8088 14.8088 15.0432 15.0432 15.0976 15.0976 k = 0.5000 0.5000 0.4881 ( 1568 PWs) bands (ev): -31.6062 -31.6062 -12.7008 -12.7008 -11.2843 -11.2843 -11.2841 -11.2841 -3.5154 -3.5154 -3.5154 -3.5154 -2.7335 -2.7335 -2.6121 -2.6121 -2.6120 -2.6120 8.6478 8.6478 8.7766 8.7766 8.9172 8.9172 8.9808 8.9808 14.8407 14.8407 15.0900 15.0900 15.1060 15.1060 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -31.6061 -31.6061 -12.7009 -12.7009 -11.2842 -11.2842 -11.2842 -11.2842 -3.5154 -3.5154 -3.5154 -3.5154 -2.7335 -2.7335 -2.6120 -2.6120 -2.6120 -2.6120 8.7103 8.7103 8.7744 8.7744 8.9161 8.9161 8.9161 8.9161 14.8501 14.8501 15.1087 15.1087 15.1087 15.1087 Writing output data file YIn.save init_run : 0.15s CPU 0.26s WALL ( 1 calls) electrons : 39.35s CPU 40.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 39.35s CPU 40.54s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 325 calls) cegterg : 35.49s CPU 36.29s WALL ( 364 calls) Called by sum_band: Called by *egterg: h_psi : 17.08s CPU 17.78s WALL ( 5605 calls) s_psi : 0.91s CPU 0.89s WALL ( 5605 calls) g_psi : 0.04s CPU 0.04s WALL ( 4916 calls) cdiaghg : 17.34s CPU 17.57s WALL ( 5241 calls) cegterg:over : 1.27s CPU 1.19s WALL ( 4916 calls) cegterg:upda : 0.70s CPU 0.78s WALL ( 4916 calls) cegterg:last : 0.43s CPU 0.49s WALL ( 1007 calls) cdiaghg:chol : 0.89s CPU 0.88s WALL ( 5241 calls) cdiaghg:inve : 0.34s CPU 0.41s WALL ( 5241 calls) cdiaghg:para : 1.07s CPU 1.05s WALL ( 10482 calls) Called by h_psi: h_psi:vloc : 15.00s CPU 15.59s WALL ( 5605 calls) h_psi:vnl : 2.06s CPU 2.15s WALL ( 5605 calls) add_vuspsi : 1.12s CPU 1.19s WALL ( 5605 calls) General routines calbec : 0.92s CPU 0.95s WALL ( 5605 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.07s CPU 14.55s WALL ( 398888 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 0.14s WALL ( 650 calls) Parallel routines fft_scatter : 7.22s CPU 7.63s WALL ( 398911 calls) PWSCF : 46.98s CPU 55.18s WALL This run was terminated on: 19:52: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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