Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:48:53 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: ./InSb.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 22 15 4 466 253 46 Max 23 16 5 470 266 51 Sum 793 545 177 16831 9315 1743 bravais-lattice index = 14 lattice parameter (alat) = 6.4062 a.u. unit-cell volume = 262.9030 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.406171 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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) Sb 5.00 121.76000 Sb( 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= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0106383 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0000000 0.0212766 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0000000 0.0319149 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0000000 0.0425532 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0000000 0.0531915 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0000000 0.0638298 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0000000 0.0744681 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0000000 0.0851064 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0000000 0.0957447 -0.0000000), wk = 0.0027778 k( 11) = ( 0.0000000 0.1063830 -0.0000000), wk = 0.0027778 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0027778 k( 13) = ( 0.0000000 0.1276596 -0.0000000), wk = 0.0027778 k( 14) = ( 0.0000000 0.1382979 -0.0000000), wk = 0.0027778 k( 15) = ( 0.0000000 0.1489362 -0.0000000), wk = 0.0027778 k( 16) = ( 0.0000000 0.1595745 -0.0000000), wk = 0.0027778 k( 17) = ( 0.0000000 0.1702128 -0.0000000), wk = 0.0027778 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0027778 k( 19) = ( 0.0000000 0.1914894 -0.0000000), wk = 0.0027778 k( 20) = ( 0.0000000 0.2021277 -0.0000000), wk = 0.0027778 k( 21) = ( 0.0000000 0.2127660 -0.0000000), wk = 0.0027778 k( 22) = ( 0.0000000 0.2234043 -0.0000000), wk = 0.0027778 k( 23) = ( 0.0000000 0.2340425 -0.0000000), wk = 0.0027778 k( 24) = ( 0.0000000 0.2446809 -0.0000000), wk = 0.0027778 k( 25) = ( 0.0000000 0.2553191 -0.0000000), wk = 0.0027778 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0027778 k( 27) = ( 0.0000000 0.2765957 -0.0000000), wk = 0.0027778 k( 28) = ( 0.0000000 0.2872340 -0.0000000), wk = 0.0027778 k( 29) = ( 0.0000000 0.2978723 -0.0000000), wk = 0.0027778 k( 30) = ( 0.0000000 0.3085106 -0.0000000), wk = 0.0027778 k( 31) = ( 0.0000000 0.3191489 -0.0000000), wk = 0.0027778 k( 32) = ( 0.0000000 0.3297872 -0.0000000), wk = 0.0027778 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0027778 k( 34) = ( 0.0000000 0.3510638 -0.0000000), wk = 0.0027778 k( 35) = ( 0.0000000 0.3617021 -0.0000000), wk = 0.0027778 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0027778 k( 37) = ( 0.0000000 0.3829787 -0.0000000), wk = 0.0027778 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0027778 k( 39) = ( 0.0000000 0.4042553 -0.0000000), wk = 0.0027778 k( 40) = ( 0.0000000 0.4148936 -0.0000000), wk = 0.0027778 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0027778 k( 42) = ( 0.0000000 0.4361702 -0.0000000), wk = 0.0027778 k( 43) = ( 0.0000000 0.4468085 -0.0000000), wk = 0.0027778 k( 44) = ( 0.0000000 0.4574468 -0.0000000), wk = 0.0027778 k( 45) = ( 0.0000000 0.4680851 -0.0000000), wk = 0.0027778 k( 46) = ( 0.0000000 0.4787234 -0.0000000), wk = 0.0027778 k( 47) = ( 0.0000000 0.4893617 -0.0000000), wk = 0.0027778 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 50) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0027778 k( 51) = ( 0.0212766 0.5000000 -0.0000000), wk = 0.0027778 k( 52) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0027778 k( 53) = ( 0.0425532 0.5000000 -0.0000000), wk = 0.0027778 k( 54) = ( 0.0531915 0.5000000 -0.0000000), wk = 0.0027778 k( 55) = ( 0.0638298 0.5000000 -0.0000000), wk = 0.0027778 k( 56) = ( 0.0744681 0.5000000 -0.0000000), wk = 0.0027778 k( 57) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0027778 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0027778 k( 59) = ( 0.1063830 0.5000000 -0.0000000), wk = 0.0027778 k( 60) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0027778 k( 61) = ( 0.1276596 0.5000000 -0.0000000), wk = 0.0027778 k( 62) = ( 0.1382979 0.5000000 -0.0000000), wk = 0.0027778 k( 63) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0027778 k( 64) = ( 0.1595745 0.5000000 -0.0000000), wk = 0.0027778 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0027778 k( 66) = ( 0.1808511 0.5000000 -0.0000000), wk = 0.0027778 k( 67) = ( 0.1914894 0.5000000 -0.0000000), wk = 0.0027778 k( 68) = ( 0.2021277 0.5000000 -0.0000000), wk = 0.0027778 k( 69) = ( 0.2127660 0.5000000 -0.0000000), wk = 0.0027778 k( 70) = ( 0.2234043 0.5000000 -0.0000000), wk = 0.0027778 k( 71) = ( 0.2340425 0.5000000 -0.0000000), wk = 0.0027778 k( 72) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0027778 k( 73) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0027778 k( 74) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0027778 k( 75) = ( 0.2765957 0.5000000 -0.0000000), wk = 0.0027778 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0027778 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0027778 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0027778 k( 88) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0027778 k( 89) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0027778 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0027778 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0027778 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0027778 k( 93) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0027778 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0027778 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0027778 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 98) = ( 0.4924242 0.4924242 -0.0000000), wk = 0.0027778 k( 99) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0027778 k( 100) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0027778 k( 101) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0027778 k( 102) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0027778 k( 103) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0027778 k( 104) = ( 0.4469697 0.4469697 -0.0000000), wk = 0.0027778 k( 105) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0027778 k( 106) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0027778 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0027778 k( 108) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0027778 k( 109) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0027778 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0027778 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0027778 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0027778 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0027778 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0027778 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0027778 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0027778 k( 117) = ( 0.3484849 0.3484848 -0.0000000), wk = 0.0027778 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0027778 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027778 k( 120) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0027778 k( 121) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0027778 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0027778 k( 123) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0027778 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0027778 k( 125) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0027778 k( 126) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0027778 k( 127) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0027778 k( 128) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0027778 k( 129) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0027778 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027778 k( 131) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0027778 k( 132) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0027778 k( 133) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0027778 k( 134) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0027778 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0027778 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0027778 k( 137) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0027778 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0027778 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0027778 k( 140) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0027778 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027778 k( 142) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0027778 k( 143) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0027778 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0027778 k( 145) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0027778 k( 146) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0027778 k( 147) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0027778 k( 148) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0027778 k( 149) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0027778 k( 150) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0027778 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0027778 k( 152) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027778 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0027778 k( 154) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0027778 k( 155) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0027778 k( 156) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0027778 k( 157) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0027778 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0027778 k( 159) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0027778 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0027778 k( 161) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0027778 k( 162) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 165) = ( 0.0061728 0.0061728 0.0061728), wk = 0.0027778 k( 166) = ( 0.0123457 0.0123457 0.0123457), wk = 0.0027778 k( 167) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0027778 k( 168) = ( 0.0246914 0.0246914 0.0246914), wk = 0.0027778 k( 169) = ( 0.0308642 0.0308642 0.0308642), wk = 0.0027778 k( 170) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0027778 k( 171) = ( 0.0432099 0.0432099 0.0432099), wk = 0.0027778 k( 172) = ( 0.0493827 0.0493827 0.0493827), wk = 0.0027778 k( 173) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027778 k( 174) = ( 0.0617284 0.0617284 0.0617284), wk = 0.0027778 k( 175) = ( 0.0679012 0.0679012 0.0679012), wk = 0.0027778 k( 176) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0027778 k( 177) = ( 0.0802469 0.0802469 0.0802469), wk = 0.0027778 k( 178) = ( 0.0864198 0.0864197 0.0864197), wk = 0.0027778 k( 179) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0027778 k( 180) = ( 0.0987654 0.0987654 0.0987654), wk = 0.0027778 k( 181) = ( 0.1049383 0.1049383 0.1049383), wk = 0.0027778 k( 182) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027778 k( 183) = ( 0.1172839 0.1172839 0.1172839), wk = 0.0027778 k( 184) = ( 0.1234568 0.1234568 0.1234568), wk = 0.0027778 k( 185) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0027778 k( 186) = ( 0.1358025 0.1358025 0.1358025), wk = 0.0027778 k( 187) = ( 0.1419753 0.1419753 0.1419753), wk = 0.0027778 k( 188) = ( 0.1481482 0.1481481 0.1481481), wk = 0.0027778 k( 189) = ( 0.1543210 0.1543210 0.1543210), wk = 0.0027778 k( 190) = ( 0.1604938 0.1604938 0.1604938), wk = 0.0027778 k( 191) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027778 k( 192) = ( 0.1728395 0.1728395 0.1728395), wk = 0.0027778 k( 193) = ( 0.1790123 0.1790123 0.1790123), wk = 0.0027778 k( 194) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0027778 k( 195) = ( 0.1913580 0.1913580 0.1913580), wk = 0.0027778 k( 196) = ( 0.1975309 0.1975309 0.1975309), wk = 0.0027778 k( 197) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0027778 k( 198) = ( 0.2098765 0.2098765 0.2098765), wk = 0.0027778 k( 199) = ( 0.2160494 0.2160494 0.2160494), wk = 0.0027778 k( 200) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027778 k( 201) = ( 0.2283951 0.2283951 0.2283951), wk = 0.0027778 k( 202) = ( 0.2345679 0.2345679 0.2345679), wk = 0.0027778 k( 203) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0027778 k( 204) = ( 0.2469136 0.2469136 0.2469136), wk = 0.0027778 k( 205) = ( 0.2530864 0.2530864 0.2530864), wk = 0.0027778 k( 206) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0027778 k( 207) = ( 0.2654321 0.2654321 0.2654321), wk = 0.0027778 k( 208) = ( 0.2716049 0.2716049 0.2716049), wk = 0.0027778 k( 209) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027778 k( 210) = ( 0.2839506 0.2839506 0.2839506), wk = 0.0027778 k( 211) = ( 0.2901235 0.2901235 0.2901235), wk = 0.0027778 k( 212) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0027778 k( 213) = ( 0.3024691 0.3024691 0.3024691), wk = 0.0027778 k( 214) = ( 0.3086420 0.3086420 0.3086420), wk = 0.0027778 k( 215) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0027778 k( 216) = ( 0.3209877 0.3209876 0.3209876), wk = 0.0027778 k( 217) = ( 0.3271605 0.3271605 0.3271605), wk = 0.0027778 k( 218) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027778 k( 219) = ( 0.3395062 0.3395062 0.3395062), wk = 0.0027778 k( 220) = ( 0.3456790 0.3456790 0.3456790), wk = 0.0027778 k( 221) = ( 0.3518519 0.3518518 0.3518518), wk = 0.0027778 k( 222) = ( 0.3580247 0.3580247 0.3580247), wk = 0.0027778 k( 223) = ( 0.3641975 0.3641975 0.3641975), wk = 0.0027778 k( 224) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0027778 k( 225) = ( 0.3765432 0.3765432 0.3765432), wk = 0.0027778 k( 226) = ( 0.3827160 0.3827160 0.3827160), wk = 0.0027778 k( 227) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027778 k( 228) = ( 0.3950617 0.3950617 0.3950617), wk = 0.0027778 k( 229) = ( 0.4012346 0.4012346 0.4012346), wk = 0.0027778 k( 230) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0027778 k( 231) = ( 0.4135802 0.4135802 0.4135802), wk = 0.0027778 k( 232) = ( 0.4197531 0.4197531 0.4197531), wk = 0.0027778 k( 233) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0027778 k( 234) = ( 0.4320988 0.4320988 0.4320988), wk = 0.0027778 k( 235) = ( 0.4382716 0.4382716 0.4382716), wk = 0.0027778 k( 236) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027778 k( 237) = ( 0.4506173 0.4506173 0.4506173), wk = 0.0027778 k( 238) = ( 0.4567901 0.4567901 0.4567901), wk = 0.0027778 k( 239) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0027778 k( 240) = ( 0.4691358 0.4691358 0.4691358), wk = 0.0027778 k( 241) = ( 0.4753086 0.4753086 0.4753086), wk = 0.0027778 k( 242) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0027778 k( 243) = ( 0.4876543 0.4876543 0.4876543), wk = 0.0027778 k( 244) = ( 0.4938272 0.4938272 0.4938272), wk = 0.0027778 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027778 k( 248) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027778 k( 249) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027778 k( 250) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027778 k( 251) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027778 k( 252) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0027778 k( 253) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027778 k( 254) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027778 k( 255) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027778 k( 256) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027778 k( 257) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027778 k( 258) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027778 k( 259) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027778 k( 260) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027778 k( 261) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027778 k( 262) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027778 k( 263) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027778 k( 264) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027778 k( 265) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027778 k( 266) = ( 0.3484849 0.5000000 0.3484848), wk = 0.0027778 k( 267) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027778 k( 268) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027778 k( 269) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027778 k( 270) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027778 k( 271) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027778 k( 272) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027778 k( 273) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027778 k( 274) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027778 k( 275) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027778 k( 276) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027778 k( 277) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027778 k( 278) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027778 k( 279) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027778 k( 280) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027778 k( 281) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027778 k( 282) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027778 k( 283) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027778 k( 284) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027778 k( 285) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027778 k( 286) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027778 k( 287) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027778 k( 288) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027778 k( 289) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027778 k( 290) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027778 k( 291) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027778 k( 292) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027778 k( 293) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027778 k( 294) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027778 k( 295) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027778 k( 296) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027778 k( 297) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027778 k( 298) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027778 k( 299) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027778 k( 300) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027778 k( 301) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027778 k( 302) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027778 k( 303) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027778 k( 304) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027778 k( 305) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027778 k( 306) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0027778 k( 307) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027778 k( 308) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027778 k( 309) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027778 k( 310) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027778 k( 311) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 313) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 314) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027778 k( 315) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027778 k( 316) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027778 k( 317) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027778 k( 318) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027778 k( 319) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027778 k( 320) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027778 k( 321) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027778 k( 322) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027778 k( 323) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027778 k( 324) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027778 k( 325) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027778 k( 326) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027778 k( 327) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027778 k( 328) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 0.2446808), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0106383 0.0000000), wk = 0.0027778 k( 3) = ( 0.0000000 0.0212766 0.0000000), wk = 0.0027778 k( 4) = ( 0.0000000 0.0319149 0.0000000), wk = 0.0027778 k( 5) = ( 0.0000000 0.0425532 0.0000000), wk = 0.0027778 k( 6) = ( 0.0000000 0.0531915 0.0000000), wk = 0.0027778 k( 7) = ( 0.0000000 0.0638298 0.0000000), wk = 0.0027778 k( 8) = ( 0.0000000 0.0744681 0.0000000), wk = 0.0027778 k( 9) = ( 0.0000000 0.0851064 0.0000000), wk = 0.0027778 k( 10) = ( 0.0000000 0.0957447 0.0000000), wk = 0.0027778 k( 11) = ( 0.0000000 0.1063830 0.0000000), wk = 0.0027778 k( 12) = ( 0.0000000 0.1170213 0.0000000), wk = 0.0027778 k( 13) = ( 0.0000000 0.1276596 0.0000000), wk = 0.0027778 k( 14) = ( 0.0000000 0.1382979 0.0000000), wk = 0.0027778 k( 15) = ( 0.0000000 0.1489362 0.0000000), wk = 0.0027778 k( 16) = ( 0.0000000 0.1595745 0.0000000), wk = 0.0027778 k( 17) = ( 0.0000000 0.1702128 0.0000000), wk = 0.0027778 k( 18) = ( 0.0000000 0.1808511 0.0000000), wk = 0.0027778 k( 19) = ( 0.0000000 0.1914894 0.0000000), wk = 0.0027778 k( 20) = ( 0.0000000 0.2021277 0.0000000), wk = 0.0027778 k( 21) = ( 0.0000000 0.2127660 0.0000000), wk = 0.0027778 k( 22) = ( 0.0000000 0.2234043 0.0000000), wk = 0.0027778 k( 23) = ( 0.0000000 0.2340425 0.0000000), wk = 0.0027778 k( 24) = ( 0.0000000 0.2446809 0.0000000), wk = 0.0027778 k( 25) = ( 0.0000000 0.2553191 0.0000000), wk = 0.0027778 k( 26) = ( 0.0000000 0.2659574 0.0000000), wk = 0.0027778 k( 27) = ( 0.0000000 0.2765957 0.0000000), wk = 0.0027778 k( 28) = ( 0.0000000 0.2872340 0.0000000), wk = 0.0027778 k( 29) = ( 0.0000000 0.2978723 0.0000000), wk = 0.0027778 k( 30) = ( 0.0000000 0.3085106 0.0000000), wk = 0.0027778 k( 31) = ( 0.0000000 0.3191489 0.0000000), wk = 0.0027778 k( 32) = ( 0.0000000 0.3297872 0.0000000), wk = 0.0027778 k( 33) = ( 0.0000000 0.3404255 0.0000000), wk = 0.0027778 k( 34) = ( 0.0000000 0.3510638 0.0000000), wk = 0.0027778 k( 35) = ( 0.0000000 0.3617021 0.0000000), wk = 0.0027778 k( 36) = ( 0.0000000 0.3723404 0.0000000), wk = 0.0027778 k( 37) = ( 0.0000000 0.3829787 0.0000000), wk = 0.0027778 k( 38) = ( 0.0000000 0.3936170 0.0000000), wk = 0.0027778 k( 39) = ( 0.0000000 0.4042553 0.0000000), wk = 0.0027778 k( 40) = ( 0.0000000 0.4148936 0.0000000), wk = 0.0027778 k( 41) = ( 0.0000000 0.4255319 0.0000000), wk = 0.0027778 k( 42) = ( 0.0000000 0.4361702 0.0000000), wk = 0.0027778 k( 43) = ( 0.0000000 0.4468085 0.0000000), wk = 0.0027778 k( 44) = ( 0.0000000 0.4574468 0.0000000), wk = 0.0027778 k( 45) = ( 0.0000000 0.4680851 0.0000000), wk = 0.0027778 k( 46) = ( 0.0000000 0.4787234 0.0000000), wk = 0.0027778 k( 47) = ( 0.0000000 0.4893617 0.0000000), wk = 0.0027778 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 50) = ( 0.0106383 0.5000000 0.0000000), wk = 0.0027778 k( 51) = ( 0.0212766 0.5000000 0.0000000), wk = 0.0027778 k( 52) = ( 0.0319149 0.5000000 0.0000000), wk = 0.0027778 k( 53) = ( 0.0425532 0.5000000 0.0000000), wk = 0.0027778 k( 54) = ( 0.0531915 0.5000000 0.0000000), wk = 0.0027778 k( 55) = ( 0.0638298 0.5000000 0.0000000), wk = 0.0027778 k( 56) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0027778 k( 57) = ( 0.0851064 0.5000000 0.0000000), wk = 0.0027778 k( 58) = ( 0.0957447 0.5000000 0.0000000), wk = 0.0027778 k( 59) = ( 0.1063830 0.5000000 0.0000000), wk = 0.0027778 k( 60) = ( 0.1170213 0.5000000 0.0000000), wk = 0.0027778 k( 61) = ( 0.1276596 0.5000000 0.0000000), wk = 0.0027778 k( 62) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0027778 k( 63) = ( 0.1489362 0.5000000 0.0000000), wk = 0.0027778 k( 64) = ( 0.1595745 0.5000000 0.0000000), wk = 0.0027778 k( 65) = ( 0.1702128 0.5000000 0.0000000), wk = 0.0027778 k( 66) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0027778 k( 67) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0027778 k( 68) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0027778 k( 69) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0027778 k( 70) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0027778 k( 71) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0027778 k( 72) = ( 0.2446809 0.5000000 0.0000000), wk = 0.0027778 k( 73) = ( 0.2553191 0.5000000 0.0000000), wk = 0.0027778 k( 74) = ( 0.2659574 0.5000000 0.0000000), wk = 0.0027778 k( 75) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0027778 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3085106 0.5000000 0.0000000), wk = 0.0027778 k( 79) = ( 0.3191489 0.5000000 0.0000000), wk = 0.0027778 k( 80) = ( 0.3297872 0.5000000 0.0000000), wk = 0.0027778 k( 81) = ( 0.3404255 0.5000000 0.0000000), wk = 0.0027778 k( 82) = ( 0.3510638 0.5000000 0.0000000), wk = 0.0027778 k( 83) = ( 0.3617021 0.5000000 0.0000000), wk = 0.0027778 k( 84) = ( 0.3723404 0.5000000 0.0000000), wk = 0.0027778 k( 85) = ( 0.3829787 0.5000000 0.0000000), wk = 0.0027778 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.4042553 0.5000000 0.0000000), wk = 0.0027778 k( 88) = ( 0.4148936 0.5000000 0.0000000), wk = 0.0027778 k( 89) = ( 0.4255319 0.5000000 0.0000000), wk = 0.0027778 k( 90) = ( 0.4361702 0.5000000 0.0000000), wk = 0.0027778 k( 91) = ( 0.4468085 0.5000000 0.0000000), wk = 0.0027778 k( 92) = ( 0.4574468 0.5000000 0.0000000), wk = 0.0027778 k( 93) = ( 0.4680851 0.5000000 0.0000000), wk = 0.0027778 k( 94) = ( 0.4787234 0.5000000 0.0000000), wk = 0.0027778 k( 95) = ( 0.4893617 0.5000000 0.0000000), wk = 0.0027778 k( 96) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 97) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 98) = ( 0.4924242 0.4924242 0.0000000), wk = 0.0027778 k( 99) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0027778 k( 100) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0027778 k( 101) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0027778 k( 102) = ( 0.4621212 0.4621212 0.0000000), wk = 0.0027778 k( 103) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0027778 k( 104) = ( 0.4469697 0.4469697 0.0000000), wk = 0.0027778 k( 105) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0027778 k( 106) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0027778 k( 107) = ( 0.4242424 0.4242424 0.0000000), wk = 0.0027778 k( 108) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0027778 k( 109) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0027778 k( 110) = ( 0.4015151 0.4015151 0.0000000), wk = 0.0027778 k( 111) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0027778 k( 112) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0027778 k( 113) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0027778 k( 114) = ( 0.3712121 0.3712121 0.0000000), wk = 0.0027778 k( 115) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0027778 k( 116) = ( 0.3560606 0.3560606 0.0000000), wk = 0.0027778 k( 117) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0027778 k( 118) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0027778 k( 119) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027778 k( 120) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0027778 k( 121) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0027778 k( 122) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0027778 k( 123) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0027778 k( 124) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0027778 k( 125) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0027778 k( 126) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0027778 k( 127) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0027778 k( 128) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0027778 k( 129) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0027778 k( 130) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027778 k( 131) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0027778 k( 132) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0027778 k( 133) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0027778 k( 134) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0027778 k( 135) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0027778 k( 136) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0027778 k( 137) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0027778 k( 138) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0027778 k( 139) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0027778 k( 140) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0027778 k( 141) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027778 k( 142) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0027778 k( 143) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0027778 k( 144) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0027778 k( 145) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0027778 k( 146) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0027778 k( 147) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0027778 k( 148) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0027778 k( 149) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0027778 k( 150) = ( 0.0984848 0.0984848 0.0000000), wk = 0.0027778 k( 151) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0027778 k( 152) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0027778 k( 153) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0027778 k( 154) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0027778 k( 155) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0027778 k( 156) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0027778 k( 157) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0027778 k( 158) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0027778 k( 159) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0027778 k( 160) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0027778 k( 161) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0027778 k( 162) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 165) = ( 0.0061728 0.0061728 0.0061728), wk = 0.0027778 k( 166) = ( 0.0123457 0.0123457 0.0123457), wk = 0.0027778 k( 167) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0027778 k( 168) = ( 0.0246914 0.0246914 0.0246914), wk = 0.0027778 k( 169) = ( 0.0308642 0.0308642 0.0308642), wk = 0.0027778 k( 170) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0027778 k( 171) = ( 0.0432099 0.0432099 0.0432099), wk = 0.0027778 k( 172) = ( 0.0493827 0.0493827 0.0493827), wk = 0.0027778 k( 173) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027778 k( 174) = ( 0.0617284 0.0617284 0.0617284), wk = 0.0027778 k( 175) = ( 0.0679012 0.0679012 0.0679012), wk = 0.0027778 k( 176) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0027778 k( 177) = ( 0.0802469 0.0802469 0.0802469), wk = 0.0027778 k( 178) = ( 0.0864198 0.0864198 0.0864198), wk = 0.0027778 k( 179) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0027778 k( 180) = ( 0.0987654 0.0987654 0.0987654), wk = 0.0027778 k( 181) = ( 0.1049383 0.1049383 0.1049383), wk = 0.0027778 k( 182) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027778 k( 183) = ( 0.1172839 0.1172839 0.1172839), wk = 0.0027778 k( 184) = ( 0.1234568 0.1234568 0.1234568), wk = 0.0027778 k( 185) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0027778 k( 186) = ( 0.1358025 0.1358025 0.1358025), wk = 0.0027778 k( 187) = ( 0.1419753 0.1419753 0.1419753), wk = 0.0027778 k( 188) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0027778 k( 189) = ( 0.1543210 0.1543210 0.1543210), wk = 0.0027778 k( 190) = ( 0.1604938 0.1604938 0.1604938), wk = 0.0027778 k( 191) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027778 k( 192) = ( 0.1728395 0.1728395 0.1728395), wk = 0.0027778 k( 193) = ( 0.1790123 0.1790123 0.1790123), wk = 0.0027778 k( 194) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0027778 k( 195) = ( 0.1913580 0.1913580 0.1913580), wk = 0.0027778 k( 196) = ( 0.1975309 0.1975309 0.1975309), wk = 0.0027778 k( 197) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0027778 k( 198) = ( 0.2098765 0.2098765 0.2098765), wk = 0.0027778 k( 199) = ( 0.2160494 0.2160494 0.2160494), wk = 0.0027778 k( 200) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027778 k( 201) = ( 0.2283951 0.2283951 0.2283951), wk = 0.0027778 k( 202) = ( 0.2345679 0.2345679 0.2345679), wk = 0.0027778 k( 203) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0027778 k( 204) = ( 0.2469136 0.2469136 0.2469136), wk = 0.0027778 k( 205) = ( 0.2530864 0.2530864 0.2530864), wk = 0.0027778 k( 206) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0027778 k( 207) = ( 0.2654321 0.2654321 0.2654321), wk = 0.0027778 k( 208) = ( 0.2716049 0.2716049 0.2716049), wk = 0.0027778 k( 209) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027778 k( 210) = ( 0.2839506 0.2839506 0.2839506), wk = 0.0027778 k( 211) = ( 0.2901235 0.2901235 0.2901235), wk = 0.0027778 k( 212) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0027778 k( 213) = ( 0.3024691 0.3024691 0.3024691), wk = 0.0027778 k( 214) = ( 0.3086420 0.3086420 0.3086420), wk = 0.0027778 k( 215) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0027778 k( 216) = ( 0.3209877 0.3209877 0.3209877), wk = 0.0027778 k( 217) = ( 0.3271605 0.3271605 0.3271605), wk = 0.0027778 k( 218) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027778 k( 219) = ( 0.3395062 0.3395062 0.3395062), wk = 0.0027778 k( 220) = ( 0.3456790 0.3456790 0.3456790), wk = 0.0027778 k( 221) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0027778 k( 222) = ( 0.3580247 0.3580247 0.3580247), wk = 0.0027778 k( 223) = ( 0.3641975 0.3641975 0.3641975), wk = 0.0027778 k( 224) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0027778 k( 225) = ( 0.3765432 0.3765432 0.3765432), wk = 0.0027778 k( 226) = ( 0.3827160 0.3827160 0.3827160), wk = 0.0027778 k( 227) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027778 k( 228) = ( 0.3950617 0.3950617 0.3950617), wk = 0.0027778 k( 229) = ( 0.4012346 0.4012346 0.4012346), wk = 0.0027778 k( 230) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0027778 k( 231) = ( 0.4135802 0.4135802 0.4135802), wk = 0.0027778 k( 232) = ( 0.4197531 0.4197531 0.4197531), wk = 0.0027778 k( 233) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0027778 k( 234) = ( 0.4320988 0.4320988 0.4320988), wk = 0.0027778 k( 235) = ( 0.4382716 0.4382716 0.4382716), wk = 0.0027778 k( 236) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027778 k( 237) = ( 0.4506173 0.4506173 0.4506173), wk = 0.0027778 k( 238) = ( 0.4567901 0.4567901 0.4567901), wk = 0.0027778 k( 239) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0027778 k( 240) = ( 0.4691358 0.4691358 0.4691358), wk = 0.0027778 k( 241) = ( 0.4753086 0.4753086 0.4753086), wk = 0.0027778 k( 242) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0027778 k( 243) = ( 0.4876543 0.4876543 0.4876543), wk = 0.0027778 k( 244) = ( 0.4938272 0.4938272 0.4938272), wk = 0.0027778 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027778 k( 248) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027778 k( 249) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027778 k( 250) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027778 k( 251) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027778 k( 252) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0027778 k( 253) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027778 k( 254) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027778 k( 255) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027778 k( 256) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027778 k( 257) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027778 k( 258) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027778 k( 259) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027778 k( 260) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027778 k( 261) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027778 k( 262) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027778 k( 263) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027778 k( 264) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027778 k( 265) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027778 k( 266) = ( 0.3484849 0.5000000 0.3484849), wk = 0.0027778 k( 267) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027778 k( 268) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027778 k( 269) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027778 k( 270) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027778 k( 271) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027778 k( 272) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027778 k( 273) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027778 k( 274) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027778 k( 275) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027778 k( 276) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027778 k( 277) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027778 k( 278) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027778 k( 279) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027778 k( 280) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027778 k( 281) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027778 k( 282) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027778 k( 283) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027778 k( 284) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027778 k( 285) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027778 k( 286) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027778 k( 287) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027778 k( 288) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027778 k( 289) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027778 k( 290) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027778 k( 291) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027778 k( 292) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027778 k( 293) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027778 k( 294) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027778 k( 295) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027778 k( 296) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027778 k( 297) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027778 k( 298) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027778 k( 299) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027778 k( 300) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027778 k( 301) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027778 k( 302) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027778 k( 303) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027778 k( 304) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027778 k( 305) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027778 k( 306) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0027778 k( 307) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027778 k( 308) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027778 k( 309) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027778 k( 310) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027778 k( 311) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 313) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 314) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027778 k( 315) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027778 k( 316) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027778 k( 317) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027778 k( 318) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027778 k( 319) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027778 k( 320) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027778 k( 321) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027778 k( 322) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027778 k( 323) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027778 k( 324) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027778 k( 325) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027778 k( 326) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027778 k( 327) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027778 k( 328) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 0.2446809), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 Dense grid: 16831 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 9315 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 68, 26) NL pseudopotentials 0.04 Mb ( 34, 68) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 470) G-vector shells 0.00 Mb ( 144) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 68, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./InSb.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.2 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.4 secs Computing kpt #: 17 total cpu time spent up to now is 3.5 secs Computing kpt #: 18 total cpu time spent up to now is 3.6 secs Computing kpt #: 19 total cpu time spent up to now is 3.7 secs Computing kpt #: 20 total cpu time spent up to now is 3.8 secs Computing kpt #: 21 total cpu time spent up to now is 3.9 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.1 secs Computing kpt #: 24 total cpu time spent up to now is 4.2 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.9 secs Computing kpt #: 30 total cpu time spent up to now is 5.0 secs Computing kpt #: 31 total cpu time spent up to now is 5.1 secs Computing kpt #: 32 total cpu time spent up to now is 5.2 secs Computing kpt #: 33 total cpu time spent up to now is 5.3 secs Computing kpt #: 34 total cpu time spent up to now is 5.4 secs Computing kpt #: 35 total cpu time spent up to now is 5.5 secs Computing kpt #: 36 total cpu time spent up to now is 5.7 secs Computing kpt #: 37 total cpu time spent up to now is 5.8 secs Computing kpt #: 38 total cpu time spent up to now is 5.9 secs Computing kpt #: 39 total cpu time spent up to now is 6.0 secs Computing kpt #: 40 total cpu time spent up to now is 6.1 secs Computing kpt #: 41 total cpu time spent up to now is 6.2 secs Computing kpt #: 42 total cpu time spent up to now is 6.3 secs Computing kpt #: 43 total cpu time spent up to now is 6.4 secs Computing kpt #: 44 total cpu time spent up to now is 6.5 secs Computing kpt #: 45 total cpu time spent up to now is 6.6 secs Computing kpt #: 46 total cpu time spent up to now is 6.7 secs Computing kpt #: 47 total cpu time spent up to now is 6.8 secs Computing kpt #: 48 total cpu time spent up to now is 6.9 secs Computing kpt #: 49 total cpu time spent up to now is 7.0 secs Computing kpt #: 50 total cpu time spent up to now is 7.1 secs Computing kpt #: 51 total cpu time spent up to now is 7.1 secs Computing kpt #: 52 total cpu time spent up to now is 7.2 secs Computing kpt #: 53 total cpu time spent up to now is 7.3 secs Computing kpt #: 54 total cpu time spent up to now is 7.5 secs Computing kpt #: 55 total cpu time spent up to now is 7.6 secs Computing kpt #: 56 total cpu time spent up to now is 7.7 secs Computing kpt #: 57 total cpu time spent up to now is 7.7 secs Computing kpt #: 58 total cpu time spent up to now is 7.8 secs Computing kpt #: 59 total cpu time spent up to now is 7.9 secs Computing kpt #: 60 total cpu time spent up to now is 8.0 secs Computing kpt #: 61 total cpu time spent up to now is 8.1 secs Computing kpt #: 62 total cpu time spent up to now is 8.2 secs Computing kpt #: 63 total cpu time spent up to now is 8.3 secs Computing kpt #: 64 total cpu time spent up to now is 8.4 secs Computing kpt #: 65 total cpu time spent up to now is 8.5 secs Computing kpt #: 66 total cpu time spent up to now is 8.6 secs Computing kpt #: 67 total cpu time spent up to now is 8.6 secs Computing kpt #: 68 total cpu time spent up to now is 8.7 secs Computing kpt #: 69 total cpu time spent up to now is 8.8 secs Computing kpt #: 70 total cpu time spent up to now is 8.9 secs Computing kpt #: 71 total cpu time spent up to now is 9.0 secs Computing kpt #: 72 total cpu time spent up to now is 9.0 secs Computing kpt #: 73 total cpu time spent up to now is 9.1 secs Computing kpt #: 74 total cpu time spent up to now is 9.2 secs Computing kpt #: 75 total cpu time spent up to now is 9.3 secs Computing kpt #: 76 total cpu time spent up to now is 9.4 secs Computing kpt #: 77 total cpu time spent up to now is 9.4 secs Computing kpt #: 78 total cpu time spent up to now is 9.5 secs Computing kpt #: 79 total cpu time spent up to now is 9.6 secs Computing kpt #: 80 total cpu time spent up to now is 9.7 secs Computing kpt #: 81 total cpu time spent up to now is 9.8 secs Computing kpt #: 82 total cpu time spent up to now is 9.9 secs Computing kpt #: 83 total cpu time spent up to now is 9.9 secs Computing kpt #: 84 total cpu time spent up to now is 10.0 secs Computing kpt #: 85 total cpu time spent up to now is 10.1 secs Computing kpt #: 86 total cpu time spent up to now is 10.2 secs Computing kpt #: 87 total cpu time spent up to now is 10.3 secs Computing kpt #: 88 total cpu time spent up to now is 10.4 secs Computing kpt #: 89 total cpu time spent up to now is 10.5 secs Computing kpt #: 90 total cpu time spent up to now is 10.5 secs Computing kpt #: 91 total cpu time spent up to now is 10.7 secs Computing kpt #: 92 total cpu time spent up to now is 10.7 secs Computing kpt #: 93 total cpu time spent up to now is 10.8 secs Computing kpt #: 94 total cpu time spent up to now is 10.9 secs Computing kpt #: 95 total cpu time spent up to now is 11.0 secs Computing kpt #: 96 total cpu time spent up to now is 11.1 secs Computing kpt #: 97 total cpu time spent up to now is 11.2 secs Computing kpt #: 98 total cpu time spent up to now is 11.2 secs Computing kpt #: 99 total cpu time spent up to now is 11.3 secs Computing kpt #: 100 total cpu time spent up to now is 11.4 secs Computing kpt #: 101 total cpu time spent up to now is 11.5 secs Computing kpt #: 102 total cpu time spent up to now is 11.6 secs Computing kpt #: 103 total cpu time spent up to now is 11.7 secs Computing kpt #: 104 total cpu time spent up to now is 11.7 secs Computing kpt #: 105 total cpu time spent up to now is 11.8 secs Computing kpt #: 106 total cpu time spent up to now is 11.9 secs Computing kpt #: 107 total cpu time spent up to now is 12.0 secs Computing kpt #: 108 total cpu time spent up to now is 12.1 secs Computing kpt #: 109 total cpu time spent up to now is 12.2 secs Computing kpt #: 110 total cpu time spent up to now is 12.2 secs Computing kpt #: 111 total cpu time spent up to now is 12.3 secs Computing kpt #: 112 total cpu time spent up to now is 12.4 secs Computing kpt #: 113 total cpu time spent up to now is 12.5 secs Computing kpt #: 114 total cpu time spent up to now is 12.6 secs Computing kpt #: 115 total cpu time spent up to now is 12.7 secs Computing kpt #: 116 total cpu time spent up to now is 12.7 secs Computing kpt #: 117 total cpu time spent up to now is 12.8 secs Computing kpt #: 118 total cpu time spent up to now is 12.9 secs Computing kpt #: 119 total cpu time spent up to now is 13.0 secs Computing kpt #: 120 total cpu time spent up to now is 13.1 secs Computing kpt #: 121 total cpu time spent up to now is 13.2 secs Computing kpt #: 122 total cpu time spent up to now is 13.2 secs Computing kpt #: 123 total cpu time spent up to now is 13.3 secs Computing kpt #: 124 total cpu time spent up to now is 13.4 secs Computing kpt #: 125 total cpu time spent up to now is 13.5 secs Computing kpt #: 126 total cpu time spent up to now is 13.6 secs Computing kpt #: 127 total cpu time spent up to now is 13.7 secs Computing kpt #: 128 total cpu time spent up to now is 13.8 secs Computing kpt #: 129 total cpu time spent up to now is 13.9 secs Computing kpt #: 130 total cpu time spent up to now is 14.0 secs Computing kpt #: 131 total cpu time spent up to now is 14.1 secs Computing kpt #: 132 total cpu time spent up to now is 14.2 secs Computing kpt #: 133 total cpu time spent up to now is 14.3 secs Computing kpt #: 134 total cpu time spent up to now is 14.4 secs Computing kpt #: 135 total cpu time spent up to now is 14.5 secs Computing kpt #: 136 total cpu time spent up to now is 14.6 secs Computing kpt #: 137 total cpu time spent up to now is 14.7 secs Computing kpt #: 138 total cpu time spent up to now is 14.9 secs Computing kpt #: 139 total cpu time spent up to now is 15.0 secs Computing kpt #: 140 total cpu time spent up to now is 15.1 secs Computing kpt #: 141 total cpu time spent up to now is 15.2 secs Computing kpt #: 142 total cpu time spent up to now is 15.3 secs Computing kpt #: 143 total cpu time spent up to now is 15.4 secs Computing kpt #: 144 total cpu time spent up to now is 15.5 secs Computing kpt #: 145 total cpu time spent up to now is 15.6 secs Computing kpt #: 146 total cpu time spent up to now is 15.7 secs Computing kpt #: 147 total cpu time spent up to now is 15.7 secs Computing kpt #: 148 total cpu time spent up to now is 15.8 secs Computing kpt #: 149 total cpu time spent up to now is 15.9 secs Computing kpt #: 150 total cpu time spent up to now is 16.0 secs Computing kpt #: 151 total cpu time spent up to now is 16.1 secs Computing kpt #: 152 total cpu time spent up to now is 16.2 secs Computing kpt #: 153 total cpu time spent up to now is 16.3 secs Computing kpt #: 154 total cpu time spent up to now is 16.4 secs Computing kpt #: 155 total cpu time spent up to now is 16.5 secs Computing kpt #: 156 total cpu time spent up to now is 16.6 secs Computing kpt #: 157 total cpu time spent up to now is 16.7 secs Computing kpt #: 158 total cpu time spent up to now is 16.8 secs Computing kpt #: 159 total cpu time spent up to now is 16.9 secs Computing kpt #: 160 total cpu time spent up to now is 17.0 secs Computing kpt #: 161 total cpu time spent up to now is 17.1 secs Computing kpt #: 162 total cpu time spent up to now is 17.2 secs Computing kpt #: 163 total cpu time spent up to now is 17.3 secs Computing kpt #: 164 total cpu time spent up to now is 17.4 secs Computing kpt #: 165 total cpu time spent up to now is 17.4 secs Computing kpt #: 166 total cpu time spent up to now is 17.5 secs Computing kpt #: 167 total cpu time spent up to now is 17.6 secs Computing kpt #: 168 total cpu time spent up to now is 17.7 secs Computing kpt #: 169 total cpu time spent up to now is 17.8 secs Computing kpt #: 170 total cpu time spent up to now is 17.9 secs Computing kpt #: 171 total cpu time spent up to now is 18.0 secs Computing kpt #: 172 total cpu time spent up to now is 18.1 secs Computing kpt #: 173 total cpu time spent up to now is 18.2 secs Computing kpt #: 174 total cpu time spent up to now is 18.3 secs Computing kpt #: 175 total cpu time spent up to now is 18.4 secs Computing kpt #: 176 total cpu time spent up to now is 18.5 secs Computing kpt #: 177 total cpu time spent up to now is 18.6 secs Computing kpt #: 178 total cpu time spent up to now is 18.7 secs Computing kpt #: 179 total cpu time spent up to now is 18.8 secs Computing kpt #: 180 total cpu time spent up to now is 18.9 secs Computing kpt #: 181 total cpu time spent up to now is 19.0 secs Computing kpt #: 182 total cpu time spent up to now is 19.1 secs Computing kpt #: 183 total cpu time spent up to now is 19.2 secs Computing kpt #: 184 total cpu time spent up to now is 19.3 secs Computing kpt #: 185 total cpu time spent up to now is 19.4 secs Computing kpt #: 186 total cpu time spent up to now is 19.5 secs Computing kpt #: 187 total cpu time spent up to now is 19.6 secs Computing kpt #: 188 total cpu time spent up to now is 19.8 secs Computing kpt #: 189 total cpu time spent up to now is 19.9 secs Computing kpt #: 190 total cpu time spent up to now is 20.0 secs Computing kpt #: 191 total cpu time spent up to now is 20.1 secs Computing kpt #: 192 total cpu time spent up to now is 20.2 secs Computing kpt #: 193 total cpu time spent up to now is 20.3 secs Computing kpt #: 194 total cpu time spent up to now is 20.4 secs Computing kpt #: 195 total cpu time spent up to now is 20.5 secs Computing kpt #: 196 total cpu time spent up to now is 20.6 secs Computing kpt #: 197 total cpu time spent up to now is 20.6 secs Computing kpt #: 198 total cpu time spent up to now is 20.7 secs Computing kpt #: 199 total cpu time spent up to now is 20.8 secs Computing kpt #: 200 total cpu time spent up to now is 20.9 secs Computing kpt #: 201 total cpu time spent up to now is 21.0 secs Computing kpt #: 202 total cpu time spent up to now is 21.1 secs Computing kpt #: 203 total cpu time spent up to now is 21.2 secs Computing kpt #: 204 total cpu time spent up to now is 21.3 secs Computing kpt #: 205 total cpu time spent up to now is 21.4 secs Computing kpt #: 206 total cpu time spent up to now is 21.5 secs Computing kpt #: 207 total cpu time spent up to now is 21.5 secs Computing kpt #: 208 total cpu time spent up to now is 21.6 secs Computing kpt #: 209 total cpu time spent up to now is 21.7 secs Computing kpt #: 210 total cpu time spent up to now is 21.8 secs Computing kpt #: 211 total cpu time spent up to now is 21.8 secs Computing kpt #: 212 total cpu time spent up to now is 21.9 secs Computing kpt #: 213 total cpu time spent up to now is 22.0 secs Computing kpt #: 214 total cpu time spent up to now is 22.1 secs Computing kpt #: 215 total cpu time spent up to now is 22.1 secs Computing kpt #: 216 total cpu time spent up to now is 22.2 secs Computing kpt #: 217 total cpu time spent up to now is 22.3 secs Computing kpt #: 218 total cpu time spent up to now is 22.4 secs Computing kpt #: 219 total cpu time spent up to now is 22.4 secs Computing kpt #: 220 total cpu time spent up to now is 22.5 secs Computing kpt #: 221 total cpu time spent up to now is 22.6 secs Computing kpt #: 222 total cpu time spent up to now is 22.6 secs Computing kpt #: 223 total cpu time spent up to now is 22.7 secs Computing kpt #: 224 total cpu time spent up to now is 22.8 secs Computing kpt #: 225 total cpu time spent up to now is 22.9 secs Computing kpt #: 226 total cpu time spent up to now is 22.9 secs Computing kpt #: 227 total cpu time spent up to now is 23.0 secs Computing kpt #: 228 total cpu time spent up to now is 23.1 secs Computing kpt #: 229 total cpu time spent up to now is 23.1 secs Computing kpt #: 230 total cpu time spent up to now is 23.2 secs Computing kpt #: 231 total cpu time spent up to now is 23.3 secs Computing kpt #: 232 total cpu time spent up to now is 23.4 secs Computing kpt #: 233 total cpu time spent up to now is 23.4 secs Computing kpt #: 234 total cpu time spent up to now is 23.5 secs Computing kpt #: 235 total cpu time spent up to now is 23.6 secs Computing kpt #: 236 total cpu time spent up to now is 23.6 secs Computing kpt #: 237 total cpu time spent up to now is 23.7 secs Computing kpt #: 238 total cpu time spent up to now is 23.8 secs Computing kpt #: 239 total cpu time spent up to now is 23.8 secs Computing kpt #: 240 total cpu time spent up to now is 23.9 secs Computing kpt #: 241 total cpu time spent up to now is 24.0 secs Computing kpt #: 242 total cpu time spent up to now is 24.0 secs Computing kpt #: 243 total cpu time spent up to now is 24.1 secs Computing kpt #: 244 total cpu time spent up to now is 24.2 secs Computing kpt #: 245 total cpu time spent up to now is 24.2 secs Computing kpt #: 246 total cpu time spent up to now is 24.3 secs Computing kpt #: 247 total cpu time spent up to now is 24.4 secs Computing kpt #: 248 total cpu time spent up to now is 24.4 secs Computing kpt #: 249 total cpu time spent up to now is 24.5 secs Computing kpt #: 250 total cpu time spent up to now is 24.6 secs Computing kpt #: 251 total cpu time spent up to now is 24.6 secs Computing kpt #: 252 total cpu time spent up to now is 24.7 secs Computing kpt #: 253 total cpu time spent up to now is 24.8 secs Computing kpt #: 254 total cpu time spent up to now is 24.8 secs Computing kpt #: 255 total cpu time spent up to now is 24.9 secs Computing kpt #: 256 total cpu time spent up to now is 25.0 secs Computing kpt #: 257 total cpu time spent up to now is 25.0 secs Computing kpt #: 258 total cpu time spent up to now is 25.1 secs Computing kpt #: 259 total cpu time spent up to now is 25.2 secs Computing kpt #: 260 total cpu time spent up to now is 25.2 secs Computing kpt #: 261 total cpu time spent up to now is 25.3 secs Computing kpt #: 262 total cpu time spent up to now is 25.4 secs Computing kpt #: 263 total cpu time spent up to now is 25.4 secs Computing kpt #: 264 total cpu time spent up to now is 25.5 secs Computing kpt #: 265 total cpu time spent up to now is 25.6 secs Computing kpt #: 266 total cpu time spent up to now is 25.6 secs Computing kpt #: 267 total cpu time spent up to now is 25.7 secs Computing kpt #: 268 total cpu time spent up to now is 25.8 secs Computing kpt #: 269 total cpu time spent up to now is 25.8 secs Computing kpt #: 270 total cpu time spent up to now is 25.9 secs Computing kpt #: 271 total cpu time spent up to now is 26.0 secs Computing kpt #: 272 total cpu time spent up to now is 26.1 secs Computing kpt #: 273 total cpu time spent up to now is 26.1 secs Computing kpt #: 274 total cpu time spent up to now is 26.2 secs Computing kpt #: 275 total cpu time spent up to now is 26.3 secs Computing kpt #: 276 total cpu time spent up to now is 26.3 secs Computing kpt #: 277 total cpu time spent up to now is 26.4 secs Computing kpt #: 278 total cpu time spent up to now is 26.5 secs Computing kpt #: 279 total cpu time spent up to now is 26.6 secs Computing kpt #: 280 total cpu time spent up to now is 26.6 secs Computing kpt #: 281 total cpu time spent up to now is 26.7 secs Computing kpt #: 282 total cpu time spent up to now is 26.8 secs Computing kpt #: 283 total cpu time spent up to now is 26.9 secs Computing kpt #: 284 total cpu time spent up to now is 27.0 secs Computing kpt #: 285 total cpu time spent up to now is 27.0 secs Computing kpt #: 286 total cpu time spent up to now is 27.1 secs Computing kpt #: 287 total cpu time spent up to now is 27.2 secs Computing kpt #: 288 total cpu time spent up to now is 27.3 secs Computing kpt #: 289 total cpu time spent up to now is 27.4 secs Computing kpt #: 290 total cpu time spent up to now is 27.5 secs Computing kpt #: 291 total cpu time spent up to now is 27.6 secs Computing kpt #: 292 total cpu time spent up to now is 27.7 secs Computing kpt #: 293 total cpu time spent up to now is 27.8 secs Computing kpt #: 294 total cpu time spent up to now is 28.0 secs Computing kpt #: 295 total cpu time spent up to now is 28.1 secs Computing kpt #: 296 total cpu time spent up to now is 28.2 secs Computing kpt #: 297 total cpu time spent up to now is 28.3 secs Computing kpt #: 298 total cpu time spent up to now is 28.4 secs Computing kpt #: 299 total cpu time spent up to now is 28.5 secs Computing kpt #: 300 total cpu time spent up to now is 28.6 secs Computing kpt #: 301 total cpu time spent up to now is 28.7 secs Computing kpt #: 302 total cpu time spent up to now is 28.8 secs Computing kpt #: 303 total cpu time spent up to now is 28.9 secs Computing kpt #: 304 total cpu time spent up to now is 29.1 secs Computing kpt #: 305 total cpu time spent up to now is 29.2 secs Computing kpt #: 306 total cpu time spent up to now is 29.3 secs Computing kpt #: 307 total cpu time spent up to now is 29.4 secs Computing kpt #: 308 total cpu time spent up to now is 29.5 secs Computing kpt #: 309 total cpu time spent up to now is 29.6 secs Computing kpt #: 310 total cpu time spent up to now is 29.7 secs Computing kpt #: 311 total cpu time spent up to now is 29.8 secs Computing kpt #: 312 total cpu time spent up to now is 29.9 secs Computing kpt #: 313 total cpu time spent up to now is 29.9 secs Computing kpt #: 314 total cpu time spent up to now is 30.0 secs Computing kpt #: 315 total cpu time spent up to now is 30.1 secs Computing kpt #: 316 total cpu time spent up to now is 30.2 secs Computing kpt #: 317 total cpu time spent up to now is 30.3 secs Computing kpt #: 318 total cpu time spent up to now is 30.4 secs Computing kpt #: 319 total cpu time spent up to now is 30.4 secs Computing kpt #: 320 total cpu time spent up to now is 30.5 secs Computing kpt #: 321 total cpu time spent up to now is 30.6 secs Computing kpt #: 322 total cpu time spent up to now is 30.7 secs Computing kpt #: 323 total cpu time spent up to now is 30.8 secs Computing kpt #: 324 total cpu time spent up to now is 30.8 secs Computing kpt #: 325 total cpu time spent up to now is 30.9 secs Computing kpt #: 326 total cpu time spent up to now is 31.0 secs Computing kpt #: 327 total cpu time spent up to now is 31.1 secs Computing kpt #: 328 total cpu time spent up to now is 31.1 secs Computing kpt #: 329 total cpu time spent up to now is 31.2 secs Computing kpt #: 330 total cpu time spent up to now is 31.3 secs Computing kpt #: 331 total cpu time spent up to now is 31.3 secs Computing kpt #: 332 total cpu time spent up to now is 31.4 secs Computing kpt #: 333 total cpu time spent up to now is 31.5 secs Computing kpt #: 334 total cpu time spent up to now is 31.6 secs Computing kpt #: 335 total cpu time spent up to now is 31.6 secs Computing kpt #: 336 total cpu time spent up to now is 31.7 secs Computing kpt #: 337 total cpu time spent up to now is 31.8 secs Computing kpt #: 338 total cpu time spent up to now is 31.8 secs Computing kpt #: 339 total cpu time spent up to now is 31.9 secs Computing kpt #: 340 total cpu time spent up to now is 32.0 secs Computing kpt #: 341 total cpu time spent up to now is 32.0 secs Computing kpt #: 342 total cpu time spent up to now is 32.1 secs Computing kpt #: 343 total cpu time spent up to now is 32.2 secs Computing kpt #: 344 total cpu time spent up to now is 32.2 secs Computing kpt #: 345 total cpu time spent up to now is 32.3 secs Computing kpt #: 346 total cpu time spent up to now is 32.4 secs Computing kpt #: 347 total cpu time spent up to now is 32.5 secs Computing kpt #: 348 total cpu time spent up to now is 32.5 secs Computing kpt #: 349 total cpu time spent up to now is 32.6 secs Computing kpt #: 350 total cpu time spent up to now is 32.7 secs Computing kpt #: 351 total cpu time spent up to now is 32.7 secs Computing kpt #: 352 total cpu time spent up to now is 32.8 secs Computing kpt #: 353 total cpu time spent up to now is 32.9 secs Computing kpt #: 354 total cpu time spent up to now is 32.9 secs Computing kpt #: 355 total cpu time spent up to now is 33.0 secs Computing kpt #: 356 total cpu time spent up to now is 33.1 secs Computing kpt #: 357 total cpu time spent up to now is 33.1 secs Computing kpt #: 358 total cpu time spent up to now is 33.2 secs Computing kpt #: 359 total cpu time spent up to now is 33.3 secs Computing kpt #: 360 total cpu time spent up to now is 33.3 secs ethr = 5.56E-08, avg # of iterations = 12.8 total cpu time spent up to now is 33.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1189 PWs) bands (ev): -1.6383 -1.6383 -1.6383 -1.6383 -0.8076 -0.8076 -0.8076 -0.8076 -0.6367 -0.6367 -0.3276 -0.3276 12.2423 12.2423 13.0304 13.0304 13.0304 13.0304 13.9044 13.9044 17.8837 17.8837 17.8837 17.8837 24.7467 24.7467 k = 0.0000 0.0106-0.0000 ( 1189 PWs) bands (ev): -1.6383 -1.6383 -1.6382 -1.6382 -0.8077 -0.8077 -0.8076 -0.8076 -0.6368 -0.6368 -0.3260 -0.3260 12.2348 12.2348 13.0009 13.0009 13.0324 13.0324 13.9350 13.9350 17.8847 17.8847 17.8958 17.8958 24.7369 24.7369 k = 0.0000 0.0213-0.0000 ( 1189 PWs) bands (ev): -1.6383 -1.6383 -1.6379 -1.6379 -0.8077 -0.8077 -0.8076 -0.8076 -0.6372 -0.6372 -0.3214 -0.3214 12.2098 12.2098 12.9268 12.9268 13.0383 13.0383 14.0146 14.0146 17.8874 17.8874 17.9320 17.9320 24.7073 24.7073 k = 0.0000 0.0319-0.0000 ( 1189 PWs) bands (ev): -1.6384 -1.6384 -1.6374 -1.6374 -0.8078 -0.8078 -0.8075 -0.8075 -0.6378 -0.6378 -0.3137 -0.3137 12.1603 12.1603 12.8377 12.8377 13.0482 13.0482 14.1212 14.1212 17.8921 17.8921 17.9920 17.9920 24.6583 24.6583 k = 0.0000 0.0426-0.0000 ( 1193 PWs) bands (ev): -1.6384 -1.6384 -1.6368 -1.6368 -0.8080 -0.8080 -0.8074 -0.8074 -0.6386 -0.6386 -0.3030 -0.3030 12.0770 12.0770 12.7594 12.7594 13.0619 13.0619 14.2384 14.2384 17.8986 17.8986 18.0754 18.0754 24.5906 24.5906 k = 0.0000 0.0532-0.0000 ( 1193 PWs) bands (ev): -1.6384 -1.6384 -1.6360 -1.6360 -0.8081 -0.8081 -0.8073 -0.8073 -0.6397 -0.6397 -0.2892 -0.2892 11.9556 11.9556 12.7060 12.7060 13.0797 13.0797 14.3572 14.3572 17.9069 17.9069 18.1816 18.1816 24.5049 24.5049 k = 0.0000 0.0638-0.0000 ( 1185 PWs) bands (ev): -1.6385 -1.6385 -1.6350 -1.6350 -0.8083 -0.8083 -0.8071 -0.8071 -0.6409 -0.6409 -0.2722 -0.2722 11.8006 11.8006 12.6786 12.6786 13.1013 13.1013 14.4728 14.4728 17.9171 17.9171 18.3096 18.3096 24.4023 24.4023 k = 0.0000 0.0745-0.0000 ( 1193 PWs) bands (ev): -1.6386 -1.6386 -1.6338 -1.6338 -0.8086 -0.8086 -0.8069 -0.8069 -0.6424 -0.6424 -0.2522 -0.2522 11.6213 11.6213 12.6716 12.6716 13.1268 13.1268 14.5828 14.5828 17.9292 17.9292 18.4584 18.4584 24.2843 24.2843 k = 0.0000 0.0851-0.0000 ( 1185 PWs) bands (ev): -1.6386 -1.6386 -1.6326 -1.6326 -0.8089 -0.8089 -0.8066 -0.8066 -0.6440 -0.6440 -0.2291 -0.2291 11.4257 11.4257 12.6790 12.6790 13.1561 13.1561 14.6861 14.6861 17.9431 17.9431 18.6265 18.6265 24.1525 24.1525 k = 0.0000 0.0957-0.0000 ( 1185 PWs) bands (ev): -1.6387 -1.6387 -1.6312 -1.6312 -0.8093 -0.8093 -0.8064 -0.8064 -0.6459 -0.6459 -0.2029 -0.2029 11.2196 11.2196 12.6968 12.6968 13.1893 13.1893 14.7827 14.7827 17.9588 17.9588 18.8125 18.8125 24.0084 24.0084 k = 0.0000 0.1064-0.0000 ( 1185 PWs) bands (ev): -1.6388 -1.6388 -1.6297 -1.6297 -0.8097 -0.8097 -0.8060 -0.8060 -0.6479 -0.6479 -0.1736 -0.1736 11.0064 11.0064 12.7227 12.7227 13.2264 13.2264 14.8728 14.8728 17.9764 17.9764 19.0149 19.0149 23.8538 23.8538 k = 0.0000 0.1170-0.0000 ( 1189 PWs) bands (ev): -1.6390 -1.6390 -1.6282 -1.6282 -0.8102 -0.8102 -0.8057 -0.8057 -0.6500 -0.6500 -0.1412 -0.1412 10.7887 10.7887 12.7550 12.7550 13.2672 13.2672 14.9570 14.9570 17.9958 17.9958 19.2319 19.2319 23.6903 23.6903 k = 0.0000 0.1277-0.0000 ( 1189 PWs) bands (ev): -1.6391 -1.6391 -1.6265 -1.6265 -0.8107 -0.8107 -0.8053 -0.8053 -0.6523 -0.6523 -0.1057 -0.1057 10.5680 10.5680 12.7928 12.7928 13.3118 13.3118 15.0362 15.0362 18.0171 18.0171 19.4619 19.4619 23.5195 23.5195 k = 0.0000 0.1383-0.0000 ( 1181 PWs) bands (ev): -1.6392 -1.6392 -1.6249 -1.6249 -0.8113 -0.8113 -0.8048 -0.8048 -0.6548 -0.6548 -0.0671 -0.0671 10.3455 10.3455 12.8356 12.8356 13.3602 13.3602 15.1110 15.1110 18.0401 18.0401 19.7033 19.7033 23.3429 23.3429 k = 0.0000 0.1489-0.0000 ( 1181 PWs) bands (ev): -1.6394 -1.6394 -1.6232 -1.6232 -0.8120 -0.8120 -0.8042 -0.8042 -0.6573 -0.6573 -0.0254 -0.0254 10.1222 10.1222 12.8830 12.8830 13.4122 13.4122 15.1824 15.1824 18.0650 18.0650 19.9544 19.9544 23.1617 23.1617 k = 0.0000 0.1596-0.0000 ( 1177 PWs) bands (ev): -1.6395 -1.6395 -1.6215 -1.6215 -0.8127 -0.8127 -0.8036 -0.8036 -0.6599 -0.6599 0.0193 0.0193 9.8985 9.8985 12.9345 12.9345 13.4679 13.4679 15.2509 15.2509 18.0917 18.0917 20.2134 20.2134 22.9774 22.9774 k = 0.0000 0.1702-0.0000 ( 1177 PWs) bands (ev): -1.6397 -1.6397 -1.6199 -1.6199 -0.8135 -0.8135 -0.8029 -0.8029 -0.6625 -0.6625 0.0671 0.0671 9.6752 9.6752 12.9901 12.9901 13.5271 13.5271 15.3174 15.3174 18.1202 18.1202 20.4783 20.4783 22.7914 22.7914 k = 0.0000 0.1809-0.0000 ( 1177 PWs) bands (ev): -1.6399 -1.6399 -1.6182 -1.6182 -0.8143 -0.8143 -0.8021 -0.8021 -0.6652 -0.6652 0.1179 0.1179 9.4525 9.4525 13.0495 13.0495 13.5900 13.5900 15.3825 15.3825 18.1504 18.1504 20.7461 20.7461 22.6054 22.6054 k = 0.0000 0.1915-0.0000 ( 1177 PWs) bands (ev): -1.6401 -1.6401 -1.6167 -1.6167 -0.8153 -0.8153 -0.8012 -0.8012 -0.6679 -0.6679 0.1718 0.1718 9.2309 9.2309 13.1126 13.1126 13.6563 13.6563 15.4466 15.4466 18.1824 18.1824 21.0119 21.0119 22.4225 22.4225 k = 0.0000 0.2021-0.0000 ( 1169 PWs) bands (ev): -1.6403 -1.6403 -1.6151 -1.6151 -0.8163 -0.8163 -0.8002 -0.8002 -0.6706 -0.6706 0.2286 0.2286 9.0107 9.0107 13.1793 13.1793 13.7261 13.7261 15.5103 15.5103 18.2162 18.2162 21.2652 21.2652 22.2493 22.2493 k = 0.0000 0.2128-0.0000 ( 1169 PWs) bands (ev): -1.6405 -1.6405 -1.6137 -1.6137 -0.8174 -0.8174 -0.7991 -0.7991 -0.6733 -0.6733 0.2884 0.2884 8.7922 8.7922 13.2495 13.2495 13.7993 13.7993 15.5739 15.5739 18.2516 18.2516 21.4767 21.4767 22.1064 22.1064 k = 0.0000 0.2234-0.0000 ( 1165 PWs) bands (ev): -1.6408 -1.6408 -1.6123 -1.6123 -0.8185 -0.8185 -0.7979 -0.7979 -0.6760 -0.6760 0.3511 0.3511 8.5755 8.5755 13.3229 13.3229 13.8758 13.8758 15.6379 15.6379 18.2887 18.2887 21.5650 21.5650 22.0529 22.0529 k = 0.0000 0.2340-0.0000 ( 1165 PWs) bands (ev): -1.6410 -1.6410 -1.6110 -1.6110 -0.8198 -0.8198 -0.7966 -0.7966 -0.6786 -0.6786 0.4166 0.4166 8.3609 8.3609 13.3996 13.3996 13.9556 13.9556 15.7025 15.7025 18.3275 18.3275 21.4847 21.4847 22.0831 22.0831 k = 0.0000 0.2447-0.0000 ( 1173 PWs) bands (ev): -1.6413 -1.6413 -1.6099 -1.6099 -0.8211 -0.8211 -0.7952 -0.7952 -0.6812 -0.6812 0.4850 0.4850 8.1487 8.1487 13.4794 13.4794 14.0385 14.0385 15.7680 15.7680 18.3679 18.3679 21.3300 21.3300 22.0506 22.0506 k = 0.0000 0.2553-0.0000 ( 1173 PWs) bands (ev): -1.6415 -1.6415 -1.6088 -1.6088 -0.8225 -0.8225 -0.7938 -0.7938 -0.6837 -0.6837 0.5561 0.5561 7.9389 7.9389 13.5622 13.5622 14.1245 14.1245 15.8347 15.8347 18.4098 18.4098 21.1541 21.1541 21.9341 21.9341 k = 0.0000 0.2660-0.0000 ( 1169 PWs) bands (ev): -1.6418 -1.6418 -1.6078 -1.6078 -0.8239 -0.8239 -0.7922 -0.7922 -0.6861 -0.6861 0.6299 0.6299 7.7318 7.7318 13.6479 13.6479 14.2134 14.2134 15.9027 15.9027 18.4533 18.4533 20.9712 20.9712 21.7398 21.7398 k = 0.0000 0.2766-0.0000 ( 1161 PWs) bands (ev): -1.6421 -1.6421 -1.6069 -1.6069 -0.8254 -0.8254 -0.7906 -0.7906 -0.6884 -0.6884 0.7063 0.7063 7.5275 7.5275 13.7363 13.7363 14.3053 14.3053 15.9723 15.9723 18.4982 18.4982 20.7862 20.7862 21.5340 21.5340 k = 0.0000 0.2872-0.0000 ( 1161 PWs) bands (ev): -1.6424 -1.6424 -1.6062 -1.6062 -0.8269 -0.8269 -0.7889 -0.7889 -0.6905 -0.6905 0.7851 0.7851 7.3263 7.3263 13.8273 13.8273 14.3998 14.3998 16.0436 16.0436 18.5444 18.5444 20.6010 20.6010 21.3305 21.3305 k = 0.0000 0.2979-0.0000 ( 1169 PWs) bands (ev): -1.6426 -1.6426 -1.6055 -1.6055 -0.8285 -0.8285 -0.7872 -0.7872 -0.6926 -0.6926 0.8664 0.8664 7.1283 7.1283 13.9207 13.9207 14.4970 14.4970 16.1167 16.1167 18.5919 18.5919 20.4167 20.4167 21.1296 21.1296 k = 0.0000 0.3085-0.0000 ( 1169 PWs) bands (ev): -1.6429 -1.6429 -1.6049 -1.6049 -0.8301 -0.8301 -0.7854 -0.7854 -0.6946 -0.6946 0.9499 0.9499 6.9338 6.9338 14.0164 14.0164 14.5966 14.5966 16.1917 16.1917 18.6405 18.6405 20.2342 20.2342 20.9314 20.9314 k = 0.0000 0.3191-0.0000 ( 1177 PWs) bands (ev): -1.6432 -1.6432 -1.6045 -1.6045 -0.8318 -0.8318 -0.7835 -0.7835 -0.6964 -0.6964 1.0355 1.0355 6.7429 6.7429 14.1141 14.1141 14.6985 14.6985 16.2688 16.2688 18.6902 18.6902 20.0538 20.0538 20.7362 20.7362 k = 0.0000 0.3298-0.0000 ( 1177 PWs) bands (ev): -1.6435 -1.6435 -1.6041 -1.6041 -0.8334 -0.8334 -0.7817 -0.7817 -0.6981 -0.6981 1.1229 1.1229 6.5559 6.5559 14.2135 14.2135 14.8024 14.8024 16.3479 16.3479 18.7407 18.7407 19.8761 19.8761 20.5443 20.5443 k = 0.0000 0.3404-0.0000 ( 1177 PWs) bands (ev): -1.6438 -1.6438 -1.6038 -1.6038 -0.8350 -0.8350 -0.7799 -0.7799 -0.6997 -0.6997 1.2121 1.2121 6.3731 6.3731 14.3145 14.3145 14.9081 14.9081 16.4292 16.4292 18.7919 18.7919 19.7016 19.7016 20.3558 20.3558 k = 0.0000 0.3511-0.0000 ( 1177 PWs) bands (ev): -1.6441 -1.6441 -1.6036 -1.6036 -0.8366 -0.8366 -0.7780 -0.7780 -0.7011 -0.7011 1.3026 1.3026 6.1948 6.1948 14.4167 14.4167 15.0153 15.0153 16.5126 16.5126 18.8436 18.8436 19.5307 19.5307 20.1711 20.1711 k = 0.0000 0.3617-0.0000 ( 1177 PWs) bands (ev): -1.6443 -1.6443 -1.6035 -1.6035 -0.8382 -0.8382 -0.7762 -0.7762 -0.7025 -0.7025 1.3941 1.3941 6.0214 6.0214 14.5196 14.5196 15.1236 15.1236 16.5981 16.5981 18.8954 18.8954 19.3640 19.3640 19.9906 19.9906 k = 0.0000 0.3723-0.0000 ( 1169 PWs) bands (ev): -1.6446 -1.6446 -1.6034 -1.6034 -0.8397 -0.8397 -0.7745 -0.7745 -0.7037 -0.7037 1.4862 1.4862 5.8533 5.8533 14.6228 14.6228 15.2326 15.2326 16.6857 16.6857 18.9471 18.9471 19.2019 19.2019 19.8148 19.8148 k = 0.0000 0.3830-0.0000 ( 1173 PWs) bands (ev): -1.6448 -1.6448 -1.6033 -1.6033 -0.8411 -0.8411 -0.7728 -0.7728 -0.7048 -0.7048 1.5785 1.5785 5.6911 5.6911 14.7257 14.7257 15.3417 15.3417 16.7753 16.7753 18.9983 18.9983 19.0453 19.0453 19.6442 19.6442 k = 0.0000 0.3936-0.0000 ( 1173 PWs) bands (ev): -1.6451 -1.6451 -1.6033 -1.6033 -0.8425 -0.8425 -0.7712 -0.7712 -0.7058 -0.7058 1.6702 1.6702 5.5354 5.5354 14.8277 14.8277 15.4503 15.4503 16.8665 16.8665 18.8951 18.8951 19.0485 19.0485 19.4796 19.4796 k = 0.0000 0.4043-0.0000 ( 1173 PWs) bands (ev): -1.6453 -1.6453 -1.6034 -1.6034 -0.8438 -0.8438 -0.7697 -0.7697 -0.7067 -0.7067 1.7606 1.7606 5.3870 5.3870 14.9278 14.9278 15.5576 15.5576 16.9591 16.9591 18.7523 18.7523 19.0968 19.0968 19.3222 19.3222 k = 0.0000 0.4149-0.0000 ( 1173 PWs) bands (ev): -1.6455 -1.6455 -1.6034 -1.6034 -0.8450 -0.8450 -0.7683 -0.7683 -0.7074 -0.7074 1.8488 1.8488 5.2470 5.2470 15.0251 15.0251 15.6623 15.6623 17.0525 17.0525 18.6184 18.6184 19.1358 19.1358 19.1798 19.1798 k = 0.0000 0.4255-0.0000 ( 1173 PWs) bands (ev): -1.6456 -1.6456 -1.6035 -1.6035 -0.8461 -0.8461 -0.7671 -0.7671 -0.7081 -0.7081 1.9335 1.9335 5.1165 5.1165 15.1182 15.1182 15.7634 15.7634 17.1459 17.1459 18.4952 18.4952 19.0272 19.0272 19.1892 19.1892 k = 0.0000 0.4362-0.0000 ( 1177 PWs) bands (ev): -1.6458 -1.6458 -1.6036 -1.6036 -0.8470 -0.8470 -0.7660 -0.7660 -0.7087 -0.7087 2.0132 2.0132 4.9970 4.9970 15.2056 15.2056 15.8590 15.8590 17.2378 17.2378 18.3853 18.3853 18.8978 18.8978 19.0441 19.0441 k = 0.0000 0.4468-0.0000 ( 1169 PWs) bands (ev): -1.6460 -1.6460 -1.6036 -1.6036 -0.8478 -0.8478 -0.7650 -0.7650 -0.7091 -0.7091 2.0863 2.0863 4.8903 4.8903 15.2854 15.2854 15.9471 15.9471 17.3260 17.3260 18.2917 18.2917 18.7805 18.7805 18.9054 18.9054 k = 0.0000 0.4574-0.0000 ( 1165 PWs) bands (ev): -1.6461 -1.6461 -1.6037 -1.6037 -0.8485 -0.8485 -0.7642 -0.7642 -0.7095 -0.7095 2.1507 2.1507 4.7983 4.7983 15.3555 15.3555 16.0252 16.0252 17.4071 17.4071 18.2188 18.2188 18.6783 18.6783 18.7744 18.7744 k = 0.0000 0.4681-0.0000 ( 1165 PWs) bands (ev): -1.6462 -1.6462 -1.6037 -1.6037 -0.8490 -0.8490 -0.7635 -0.7635 -0.7098 -0.7098 2.2042 2.2042 4.7234 4.7234 15.4136 15.4136 16.0906 16.0906 17.4762 17.4762 18.1711 18.1711 18.5943 18.5943 18.6538 18.6538 k = 0.0000 0.4787-0.0000 ( 1166 PWs) bands (ev): -1.6462 -1.6462 -1.6038 -1.6038 -0.8494 -0.8494 -0.7631 -0.7631 -0.7101 -0.7101 2.2444 2.2444 4.6678 4.6678 15.4573 15.4573 16.1402 16.1402 17.5278 17.5278 18.1517 18.1517 18.5313 18.5313 18.5487 18.5487 k = 0.0000 0.4894-0.0000 ( 1166 PWs) bands (ev): -1.6463 -1.6463 -1.6038 -1.6038 -0.8497 -0.8497 -0.7628 -0.7628 -0.7102 -0.7102 2.2696 2.2696 4.6335 4.6335 15.4844 15.4844 16.1713 16.1713 17.5585 17.5585 18.1549 18.1549 18.4700 18.4700 18.4922 18.4922 k = 0.0000 0.5000-0.0000 ( 1166 PWs) bands (ev): -1.6463 -1.6463 -1.6038 -1.6038 -0.8497 -0.8497 -0.7627 -0.7627 -0.7102 -0.7102 2.2781 2.2781 4.6219 4.6219 15.4937 15.4937 16.1819 16.1819 17.5684 17.5684 18.1613 18.1613 18.4386 18.4386 18.4790 18.4790 k = 0.0000 0.5000-0.0000 ( 1166 PWs) bands (ev): -1.6463 -1.6463 -1.6038 -1.6038 -0.8497 -0.8497 -0.7627 -0.7627 -0.7102 -0.7102 2.2781 2.2781 4.6219 4.6219 15.4937 15.4937 16.1819 16.1819 17.5684 17.5684 18.1613 18.1613 18.4386 18.4386 18.4790 18.4790 k = 0.0106 0.5000-0.0000 ( 1166 PWs) bands (ev): -1.6462 -1.6462 -1.6039 -1.6039 -0.8498 -0.8498 -0.7627 -0.7627 -0.7104 -0.7104 2.2802 2.2802 4.6234 4.6234 15.4800 15.4800 16.1625 16.1625 17.5824 17.5824 18.1037 18.1037 18.3541 18.3541 18.6233 18.6233 k = 0.0213 0.5000-0.0000 ( 1166 PWs) bands (ev): -1.6461 -1.6461 -1.6041 -1.6041 -0.8500 -0.8500 -0.7626 -0.7626 -0.7108 -0.7108 2.2865 2.2865 4.6278 4.6278 15.4365 15.4365 16.1133 16.1133 17.6006 17.6006 17.9802 17.9802 18.3276 18.3276 18.7966 18.7966 k = 0.0319 0.5000-0.0000 ( 1160 PWs) bands (ev): -1.6458 -1.6458 -1.6045 -1.6045 -0.8503 -0.8503 -0.7624 -0.7624 -0.7115 -0.7115 2.2969 2.2969 4.6352 4.6352 15.3577 15.3577 16.0537 16.0537 17.5402 17.5402 17.9217 17.9217 18.3306 18.3306 18.9640 18.9640 k = 0.0426 0.5000-0.0000 ( 1160 PWs) bands (ev): -1.6454 -1.6454 -1.6050 -1.6050 -0.8508 -0.8508 -0.7623 -0.7623 -0.7124 -0.7124 2.3115 2.3115 4.6455 4.6455 15.2403 15.2403 16.0012 16.0012 17.3722 17.3722 17.9655 17.9655 18.3455 18.3455 19.1189 19.1189 k = 0.0532 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6450 -1.6450 -1.6057 -1.6057 -0.8514 -0.8514 -0.7621 -0.7621 -0.7134 -0.7134 2.3301 2.3301 4.6587 4.6587 15.0877 15.0877 15.9630 15.9630 17.1612 17.1612 18.0426 18.0426 18.3688 18.3688 19.2588 19.2588 k = 0.0638 0.5000-0.0000 ( 1168 PWs) bands (ev): -1.6445 -1.6445 -1.6065 -1.6065 -0.8521 -0.8521 -0.7619 -0.7619 -0.7146 -0.7146 2.3529 2.3529 4.6749 4.6749 14.9077 14.9077 15.9378 15.9378 16.9359 16.9359 18.1205 18.1205 18.3994 18.3994 19.3832 19.3832 k = 0.0745 0.5000-0.0000 ( 1168 PWs) bands (ev): -1.6439 -1.6439 -1.6075 -1.6075 -0.8530 -0.8530 -0.7618 -0.7618 -0.7157 -0.7157 2.3796 2.3796 4.6941 4.6941 14.7087 14.7087 15.9212 15.9212 16.7061 16.7061 18.1901 18.1901 18.4367 18.4367 19.4925 19.4925 k = 0.0851 0.5000-0.0000 ( 1172 PWs) bands (ev): -1.6433 -1.6433 -1.6087 -1.6087 -0.8539 -0.8539 -0.7618 -0.7618 -0.7168 -0.7168 2.4103 2.4103 4.7162 4.7162 14.4969 14.4969 15.9068 15.9068 16.4780 16.4780 18.2501 18.2501 18.4791 18.4791 19.5876 19.5876 k = 0.0957 0.5000-0.0000 ( 1168 PWs) bands (ev): -1.6427 -1.6427 -1.6100 -1.6100 -0.8549 -0.8549 -0.7620 -0.7620 -0.7176 -0.7176 2.4449 2.4449 4.7414 4.7414 14.2768 14.2768 15.8824 15.8824 16.2638 16.2638 18.3029 18.3029 18.5249 18.5249 19.6699 19.6699 k = 0.1064 0.5000-0.0000 ( 1168 PWs) bands (ev): -1.6421 -1.6421 -1.6114 -1.6114 -0.8560 -0.8560 -0.7624 -0.7624 -0.7182 -0.7182 2.4832 2.4832 4.7695 4.7695 14.0513 14.0513 15.8095 15.8095 16.1013 16.1013 18.3514 18.3514 18.5722 18.5722 19.7413 19.7413 k = 0.1170 0.5000-0.0000 ( 1172 PWs) bands (ev): -1.6416 -1.6416 -1.6130 -1.6130 -0.8572 -0.8572 -0.7631 -0.7631 -0.7183 -0.7183 2.5253 2.5253 4.8006 4.8006 13.8224 13.8224 15.6442 15.6442 16.0345 16.0345 18.3980 18.3980 18.6202 18.6202 19.8035 19.8035 k = 0.1277 0.5000-0.0000 ( 1172 PWs) bands (ev): -1.6412 -1.6412 -1.6146 -1.6146 -0.8585 -0.8585 -0.7641 -0.7641 -0.7179 -0.7179 2.5711 2.5711 4.8347 4.8347 13.5916 13.5916 15.4285 15.4285 16.0212 16.0212 18.4444 18.4444 18.6687 18.6687 19.8582 19.8582 k = 0.1383 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6410 -1.6410 -1.6163 -1.6163 -0.8597 -0.8597 -0.7655 -0.7655 -0.7170 -0.7170 2.6205 2.6205 4.8718 4.8718 13.3600 13.3600 15.1981 15.1981 16.0255 16.0255 18.4918 18.4918 18.7178 18.7178 19.9071 19.9071 k = 0.1489 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6411 -1.6411 -1.6179 -1.6179 -0.8611 -0.8611 -0.7670 -0.7670 -0.7156 -0.7156 2.6733 2.6733 4.9120 4.9120 13.1282 13.1282 14.9632 14.9632 16.0374 16.0374 18.5406 18.5406 18.7676 18.7676 19.9512 19.9512 k = 0.1596 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6416 -1.6416 -1.6193 -1.6193 -0.8624 -0.8624 -0.7688 -0.7688 -0.7137 -0.7137 2.7296 2.7296 4.9552 4.9552 12.8968 12.8968 14.7273 14.7273 16.0535 16.0535 18.5914 18.5914 18.8185 18.8185 19.9916 19.9916 k = 0.1702 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6427 -1.6427 -1.6204 -1.6204 -0.8637 -0.8637 -0.7707 -0.7707 -0.7113 -0.7113 2.7892 2.7892 5.0014 5.0014 12.6663 12.6663 14.4916 14.4916 16.0725 16.0725 18.6443 18.6443 18.8709 18.8709 20.0291 20.0291 k = 0.1809 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6444 -1.6444 -1.6211 -1.6211 -0.8650 -0.8650 -0.7727 -0.7727 -0.7085 -0.7085 2.8521 2.8521 5.0507 5.0507 12.4371 12.4371 14.2569 14.2569 16.0937 16.0937 18.6993 18.6993 18.9249 18.9249 20.0645 20.0645 k = 0.1915 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6468 -1.6468 -1.6214 -1.6214 -0.8664 -0.8664 -0.7747 -0.7747 -0.7053 -0.7053 2.9182 2.9182 5.1030 5.1030 12.2095 12.2095 14.0236 14.0236 16.1167 16.1167 18.7566 18.7566 18.9808 18.9808 20.0981 20.0981 k = 0.2021 0.5000-0.0000 ( 1160 PWs) bands (ev): -1.6498 -1.6498 -1.6213 -1.6213 -0.8677 -0.8677 -0.7766 -0.7766 -0.7018 -0.7018 2.9873 2.9873 5.1585 5.1585 11.9837 11.9837 13.7921 13.7921 16.1412 16.1412 18.8161 18.8161 19.0388 19.0388 20.1304 20.1304 k = 0.2128 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6533 -1.6533 -1.6210 -1.6210 -0.8690 -0.8690 -0.7785 -0.7785 -0.6979 -0.6979 3.0595 3.0595 5.2170 5.2170 11.7599 11.7599 13.5625 13.5625 16.1671 16.1671 18.8778 18.8778 19.0990 19.0990 20.1617 20.1617 k = 0.2234 0.5000-0.0000 ( 1168 PWs) bands (ev): -1.6572 -1.6572 -1.6205 -1.6205 -0.8703 -0.8703 -0.7802 -0.7802 -0.6938 -0.6938 3.1346 3.1346 5.2785 5.2785 11.5383 11.5383 13.3350 13.3350 16.1941 16.1941 18.9415 18.9415 19.1615 19.1615 20.1923 20.1923 k = 0.2340 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6614 -1.6614 -1.6199 -1.6199 -0.8716 -0.8716 -0.7818 -0.7818 -0.6894 -0.6894 3.2126 3.2126 5.3432 5.3432 11.3191 11.3191 13.1099 13.1099 16.2220 16.2220 19.0072 19.0072 19.2264 19.2264 20.2223 20.2223 k = 0.2447 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6660 -1.6660 -1.6192 -1.6192 -0.8728 -0.8728 -0.7832 -0.7832 -0.6848 -0.6848 3.2933 3.2933 5.4109 5.4109 11.1024 11.1024 12.8872 12.8872 16.2508 16.2508 19.0747 19.0747 19.2939 19.2939 20.2519 20.2519 k = 0.2553 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6708 -1.6708 -1.6184 -1.6184 -0.8741 -0.8741 -0.7843 -0.7843 -0.6801 -0.6801 3.3767 3.3767 5.4816 5.4816 10.8884 10.8884 12.6670 12.6670 16.2803 16.2803 19.1439 19.1439 19.3638 19.3638 20.2813 20.2813 k = 0.2660 0.5000-0.0000 ( 1164 PWs) bands (ev): -1.6757 -1.6757 -1.6176 -1.6176 -0.8754 -0.8754 -0.7853 -0.7853 -0.6752 -0.6752 3.4627 3.4627 5.5554 5.5554 10.6771 10.6771 12.4496 12.4496 16.3103 16.3103 19.2148 19.2148 19.4362 19.4362 20.3104 20.3104 k = 0.2766 0.5000-0.0000 ( 1162 PWs) bands (ev): -1.6808 -1.6808 -1.6168 -1.6168 -0.8767 -0.8767 -0.7861 -0.7861 -0.6701 -0.6701 3.5512 3.5512 5.6322 5.6322 10.4688 10.4688 12.2349 12.2349 16.3406 16.3406 19.2871 19.2871 19.5111 19.5111 20.3393 20.3393 k = 0.2872 0.5000-0.0000 ( 1158 PWs) bands (ev): -1.6859 -1.6859 -1.6160 -1.6160 -0.8780 -0.8780 -0.7867 -0.7867 -0.6650 -0.6650 3.6421 3.6421 5.7120 5.7120 10.2636 10.2636 12.0232 12.0232 16.3712 16.3712 19.3607 19.3607 19.5883 19.5883 20.3682 20.3682 k = 0.2979 0.5000-0.0000 ( 1158 PWs) bands (ev): -1.6911 -1.6911 -1.6153 -1.6153 -0.8793 -0.8793 -0.7871 -0.7871 -0.6598 -0.6598 3.7352 3.7352 5.7947 5.7947 10.0616 10.0616 11.8145 11.8145 16.4019 16.4019 19.4355 19.4355 19.6676 19.6676 20.3970 20.3970 k = 0.3085 0.5000-0.0000 ( 1158 PWs) bands (ev): -1.6962 -1.6962 -1.6145 -1.6145 -0.8806 -0.8806 -0.7873 -0.7873 -0.6547 -0.6547 3.8304 3.8304 5.8802 5.8802 9.8629 9.8629 11.6090 11.6090 16.4325 16.4325 19.5113 19.5113 19.7489 19.7489 20.4257 20.4257 k = 0.3191 0.5000-0.0000 ( 1158 PWs) bands (ev): -1.7014 -1.7014 -1.6138 -1.6138 -0.8819 -0.8819 -0.7874 -0.7874 -0.6495 -0.6495 3.9277 3.9277 5.9686 5.9686 9.6679 9.6679 11.4068 11.4068 16.4629 16.4629 19.5879 19.5879 19.8319 19.8319 20.4545 20.4545 k = 0.3298 0.5000-0.0000 ( 1158 PWs) bands (ev): -1.7064 -1.7064 -1.6131 -1.6131 -0.8832 -0.8832 -0.7873 -0.7873 -0.6444 -0.6444 4.0267 4.0267 6.0597 6.0597 9.4765 9.4765 11.2081 11.2081 16.4929 16.4929 19.6653 19.6653 19.9161 19.9161 20.4835 20.4835 k = 0.3404 0.5000-0.0000 ( 1158 PWs) bands (ev): -1.7113 -1.7113 -1.6124 -1.6124 -0.8845 -0.8845 -0.7871 -0.7871 -0.6393 -0.6393 4.1273 4.1273 6.1534 6.1534 9.2891 9.2891 11.0130 11.0130 16.5223 16.5223 19.7430 19.7430 20.0011 20.0011 20.5128 20.5128 k = 0.3511 0.5000-0.0000 ( 1162 PWs) bands (ev): -1.7161 -1.7161 -1.6118 -1.6118 -0.8857 -0.8857 -0.7869 -0.7869 -0.6344 -0.6344 4.2292 4.2292 6.2495 6.2495 9.1060 9.1060 10.8218 10.8218 16.5509 16.5509 19.8210 19.8210 20.0861 20.0861 20.5426 20.5426 k = 0.3617 0.5000-0.0000 ( 1160 PWs) bands (ev): -1.7207 -1.7207 -1.6113 -1.6113 -0.8869 -0.8869 -0.7865 -0.7865 -0.6297 -0.6297 4.3321 4.3321 6.3478 6.3478 8.9275 8.9275 10.6347 10.6347 16.5786 16.5786 19.8988 19.8988 20.1702 20.1702 20.5735 20.5735 k = 0.3723 0.5000-0.0000 ( 1152 PWs) bands (ev): -1.7251 -1.7251 -1.6107 -1.6107 -0.8881 -0.8881 -0.7860 -0.7860 -0.6251 -0.6251 4.4357 4.4357 6.4481 6.4481 8.7539 8.7539 10.4519 10.4519 16.6052 16.6052 19.9761 19.9761 20.2522 20.2522 20.6062 20.6062 k = 0.3830 0.5000-0.0000 ( 1160 PWs) bands (ev): -1.7292 -1.7292 -1.6102 -1.6102 -0.8892 -0.8892 -0.7856 -0.7856 -0.6208 -0.6208 4.5395 4.5395 6.5500 6.5500 8.5857 8.5857 10.2739 10.2739 16.6305 16.6305 20.0523 20.0523 20.3302 20.3302 20.6418 20.6418 k = 0.3936 0.5000-0.0000 ( 1166 PWs) bands (ev): -1.7331 -1.7331 -1.6098 -1.6098 -0.8902 -0.8902 -0.7851 -0.7851 -0.6167 -0.6167 4.6428 4.6428 6.6531 6.6531 8.4237 8.4237 10.1012 10.1012 16.6544 16.6544 20.1269 20.1269 20.4019 20.4019 20.6818 20.6818 k = 0.4043 0.5000-0.0000 ( 1170 PWs) bands (ev): -1.7367 -1.7367 -1.6094 -1.6094 -0.8912 -0.8912 -0.7846 -0.7846 -0.6129 -0.6129 4.7450 4.7450 6.7568 6.7568 8.2685 8.2685 9.9343 9.9343 16.6766 16.6766 20.1990 20.1990 20.4650 20.4650 20.7279 20.7279 k = 0.4149 0.5000-0.0000 ( 1170 PWs) bands (ev): -1.7399 -1.7399 -1.6091 -1.6091 -0.8921 -0.8921 -0.7841 -0.7841 -0.6095 -0.6095 4.8450 4.8450 6.8602 6.8602 8.1212 8.1212 9.7740 9.7740 16.6970 16.6970 20.2677 20.2677 20.5180 20.5180 20.7805 20.7805 k = 0.4255 0.5000-0.0000 ( 1166 PWs) bands (ev): -1.7428 -1.7428 -1.6087 -1.6087 -0.8929 -0.8929 -0.7836 -0.7836 -0.6063 -0.6063 4.9417 4.9417 6.9621 6.9621 7.9831 7.9831 9.6215 9.6215 16.7154 16.7154 20.3319 20.3319 20.5612 20.5612 20.8383 20.8383 k = 0.4362 0.5000-0.0000 ( 1162 PWs) bands (ev): -1.7454 -1.7454 -1.6085 -1.6085 -0.8936 -0.8936 -0.7832 -0.7832 -0.6036 -0.6036 5.0334 5.0334 7.0609 7.0609 7.8560 7.8560 9.4783 9.4783 16.7317 16.7317 20.3901 20.3901 20.5964 20.5964 20.8982 20.8982 k = 0.4468 0.5000-0.0000 ( 1162 PWs) bands (ev): -1.7476 -1.7476 -1.6082 -1.6082 -0.8942 -0.8942 -0.7828 -0.7828 -0.6012 -0.6012 5.1183 5.1183 7.1542 7.1542 7.7421 7.7421 9.3465 9.3465 16.7457 16.7457 20.4408 20.4408 20.6258 20.6258 20.9565 20.9565 k = 0.4574 0.5000-0.0000 ( 1162 PWs) bands (ev): -1.7494 -1.7494 -1.6081 -1.6081 -0.8947 -0.8947 -0.7825 -0.7825 -0.5992 -0.5992 5.1939 5.1939 7.2384 7.2384 7.6447 7.6447 9.2289 9.2289 16.7574 16.7574 20.4827 20.4827 20.6510 20.6510 21.0098 21.0098 k = 0.4681 0.5000-0.0000 ( 1162 PWs) bands (ev): -1.7508 -1.7508 -1.6079 -1.6079 -0.8951 -0.8951 -0.7822 -0.7822 -0.5977 -0.5977 5.2573 5.2573 7.3077 7.3077 7.5685 7.5685 9.1293 9.1293 16.7666 16.7666 20.5148 20.5148 20.6723 20.6723 21.0550 21.0550 k = 0.4787 0.5000-0.0000 ( 1170 PWs) bands (ev): -1.7519 -1.7519 -1.6078 -1.6078 -0.8953 -0.8953 -0.7821 -0.7821 -0.5966 -0.5966 5.3057 5.3057 7.3534 7.3534 7.5206 7.5206 9.0525 9.0525 16.7732 16.7732 20.5371 20.5371 20.6890 20.6890 21.0894 21.0894 k = 0.4894 0.5000-0.0000 ( 1178 PWs) bands (ev): -1.7525 -1.7525 -1.6078 -1.6078 -0.8955 -0.8955 -0.7819 -0.7819 -0.5959 -0.5959 5.3361 5.3361 7.3696 7.3696 7.5044 7.5044 9.0035 9.0035 16.7772 16.7772 20.5501 20.5501 20.6999 20.6999 21.1110 21.1110 k = 0.5000 0.5000-0.0000 ( 1180 PWs) bands (ev): -1.7527 -1.7527 -1.6077 -1.6077 -0.8956 -0.8956 -0.7819 -0.7819 -0.5957 -0.5957 5.3465 5.3465 7.3709 7.3709 7.5036 7.5036 8.9866 8.9866 16.7785 16.7785 20.5543 20.5543 20.7037 20.7037 21.1184 21.1184 k = 0.5000 0.5000-0.0000 ( 1180 PWs) bands (ev): -1.7527 -1.7527 -1.6077 -1.6077 -0.8956 -0.8956 -0.7819 -0.7819 -0.5957 -0.5957 5.3465 5.3465 7.3709 7.3709 7.5036 7.5036 8.9866 8.9866 16.7785 16.7785 20.5543 20.5543 20.7037 20.7037 21.1184 21.1184 k = 0.4924 0.4924-0.0000 ( 1178 PWs) bands (ev): -1.7525 -1.7525 -1.6078 -1.6078 -0.8955 -0.8955 -0.7819 -0.7819 -0.5959 -0.5959 5.3359 5.3359 7.3709 7.3709 7.5031 7.5031 9.0038 9.0038 16.7772 16.7772 20.5499 20.5499 20.6999 20.6999 21.1109 21.1109 k = 0.4848 0.4848-0.0000 ( 1170 PWs) bands (ev): -1.7519 -1.7519 -1.6078 -1.6078 -0.8953 -0.8953 -0.7821 -0.7821 -0.5966 -0.5966 5.3046 5.3046 7.3710 7.3710 7.5025 7.5025 9.0543 9.0543 16.7731 16.7731 20.5356 20.5356 20.6899 20.6899 21.0898 21.0898 k = 0.4773 0.4773-0.0000 ( 1166 PWs) bands (ev): -1.7508 -1.7508 -1.6079 -1.6079 -0.8951 -0.8951 -0.7822 -0.7822 -0.5977 -0.5977 5.2535 5.2535 7.3710 7.3710 7.5036 7.5036 9.1355 9.1355 16.7661 16.7661 20.5085 20.5085 20.6765 20.6765 21.0579 21.0579 k = 0.4697 0.4697-0.0000 ( 1156 PWs) bands (ev): -1.7494 -1.7494 -1.6080 -1.6080 -0.8946 -0.8946 -0.7825 -0.7825 -0.5993 -0.5993 5.1845 5.1845 7.3708 7.3708 7.5083 7.5083 9.2437 9.2437 16.7562 16.7562 20.4667 20.4667 20.6617 20.6617 21.0202 21.0202 k = 0.4621 0.4621-0.0000 ( 1156 PWs) bands (ev): -1.7475 -1.7475 -1.6082 -1.6082 -0.8941 -0.8941 -0.7829 -0.7829 -0.6013 -0.6013 5.0995 5.0995 7.3711 7.3711 7.5179 7.5179 9.3749 9.3749 16.7430 16.7430 20.4103 20.4103 20.6442 20.6442 20.9828 20.9828 k = 0.4545 0.4545-0.0000 ( 1156 PWs) bands (ev): -1.7453 -1.7453 -1.6085 -1.6085 -0.8935 -0.8935 -0.7833 -0.7833 -0.6037 -0.6037 5.0007 5.0007 7.3727 7.3727 7.5329 7.5329 9.5256 9.5256 16.7263 16.7263 20.3415 20.3415 20.6205 20.6205 20.9522 20.9522 k = 0.4470 0.4470-0.0000 ( 1160 PWs) bands (ev): -1.7427 -1.7427 -1.6087 -1.6087 -0.8927 -0.8927 -0.7838 -0.7838 -0.6065 -0.6065 4.8904 4.8904 7.3764 7.3764 7.5531 7.5531 9.6928 9.6928 16.7059 16.7059 20.2626 20.2626 20.5877 20.5877 20.9338 20.9338 k = 0.4394 0.4394-0.0000 ( 1160 PWs) bands (ev): -1.7398 -1.7398 -1.6090 -1.6090 -0.8918 -0.8918 -0.7843 -0.7843 -0.6097 -0.6097 4.7707 4.7707 7.3832 7.3832 7.5783 7.5783 9.8739 9.8739 16.6814 16.6814 20.1757 20.1757 20.5462 20.5462 20.9291 20.9291 k = 0.4318 0.4318-0.0000 ( 1162 PWs) bands (ev): -1.7365 -1.7365 -1.6094 -1.6094 -0.8908 -0.8908 -0.7849 -0.7849 -0.6132 -0.6132 4.6436 4.6436 7.3933 7.3933 7.6080 7.6080 10.0670 10.0670 16.6525 16.6525 20.0825 20.0825 20.4994 20.4994 20.9368 20.9368 k = 0.4242 0.4242-0.0000 ( 1166 PWs) bands (ev): -1.7329 -1.7329 -1.6097 -1.6097 -0.8896 -0.8896 -0.7856 -0.7856 -0.6171 -0.6171 4.5105 4.5105 7.4070 7.4070 7.6420 7.6420 10.2703 10.2703 16.6188 16.6188 19.9845 19.9845 20.4512 20.4512 20.9543 20.9543 k = 0.4167 0.4167-0.0000 ( 1162 PWs) bands (ev): -1.7290 -1.7290 -1.6101 -1.6101 -0.8884 -0.8884 -0.7863 -0.7863 -0.6212 -0.6212 4.3731 4.3731 7.4244 7.4244 7.6802 7.6802 10.4825 10.4825 16.5802 16.5802 19.8828 19.8828 20.4050 20.4050 20.9797 20.9797 k = 0.4091 0.4091-0.0000 ( 1162 PWs) bands (ev): -1.7249 -1.7249 -1.6106 -1.6106 -0.8869 -0.8869 -0.7871 -0.7871 -0.6257 -0.6257 4.2324 4.2324 7.4454 7.4454 7.7224 7.7224 10.7027 10.7027 16.5362 16.5362 19.7784 19.7784 20.3633 20.3633 21.0115 21.0115 k = 0.4015 0.4015-0.0000 ( 1162 PWs) bands (ev): -1.7205 -1.7205 -1.6110 -1.6110 -0.8854 -0.8854 -0.7880 -0.7880 -0.6303 -0.6303 4.0896 4.0896 7.4699 7.4699 7.7683 7.7683 10.9300 10.9300 16.4869 16.4869 19.6722 19.6722 20.3279 20.3279 21.0486 21.0486 k = 0.3939 0.3939-0.0000 ( 1164 PWs) bands (ev): -1.7159 -1.7159 -1.6115 -1.6115 -0.8837 -0.8837 -0.7888 -0.7888 -0.6352 -0.6352 3.9453 3.9453 7.4978 7.4978 7.8181 7.8181 11.1636 11.1636 16.4320 16.4320 19.5648 19.5648 20.3000 20.3000 21.0904 21.0904 k = 0.3864 0.3864-0.0000 ( 1164 PWs) bands (ev): -1.7112 -1.7112 -1.6121 -1.6121 -0.8819 -0.8819 -0.7898 -0.7898 -0.6402 -0.6402 3.8005 3.8005 7.5292 7.5292 7.8714 7.8714 11.4030 11.4030 16.3716 16.3716 19.4569 19.4569 20.2803 20.2803 21.1366 21.1366 k = 0.3788 0.3788-0.0000 ( 1165 PWs) bands (ev): -1.7062 -1.7062 -1.6126 -1.6126 -0.8799 -0.8799 -0.7907 -0.7907 -0.6454 -0.6454 3.6555 3.6555 7.5638 7.5638 7.9284 7.9284 11.6477 11.6477 16.3059 16.3059 19.3489 19.3489 20.2693 20.2693 21.1868 21.1868 k = 0.3712 0.3712-0.0000 ( 1165 PWs) bands (ev): -1.7012 -1.7012 -1.6132 -1.6132 -0.8778 -0.8778 -0.7917 -0.7917 -0.6506 -0.6506 3.5109 3.5109 7.6017 7.6017 7.9888 7.9888 11.8974 11.8974 16.2349 16.2349 19.2413 19.2413 20.2674 20.2674 21.2408 21.2408 k = 0.3636 0.3636-0.0000 ( 1157 PWs) bands (ev): -1.6961 -1.6961 -1.6137 -1.6137 -0.8756 -0.8756 -0.7927 -0.7927 -0.6559 -0.6559 3.3671 3.3671 7.6428 7.6428 8.0527 8.0527 12.1516 12.1516 16.1590 16.1590 19.1343 19.1343 20.2745 20.2745 21.2984 21.2984 k = 0.3561 0.3561-0.0000 ( 1157 PWs) bands (ev): -1.6909 -1.6909 -1.6143 -1.6143 -0.8732 -0.8732 -0.7937 -0.7937 -0.6612 -0.6612 3.2245 3.2245 7.6870 7.6870 8.1199 8.1199 12.4101 12.4101 16.0785 16.0785 19.0283 19.0283 20.2907 20.2907 21.3596 21.3596 k = 0.3485 0.3485-0.0000 ( 1155 PWs) bands (ev): -1.6857 -1.6857 -1.6150 -1.6150 -0.8707 -0.8707 -0.7947 -0.7947 -0.6665 -0.6665 3.0833 3.0833 7.7343 7.7343 8.1905 8.1905 12.6726 12.6726 15.9938 15.9938 18.9234 18.9234 20.3157 20.3157 21.4242 21.4242 k = 0.3409 0.3409-0.0000 ( 1155 PWs) bands (ev): -1.6806 -1.6806 -1.6156 -1.6156 -0.8681 -0.8681 -0.7958 -0.7958 -0.6717 -0.6717 2.9437 2.9437 7.7847 7.7847 8.2643 8.2643 12.9388 12.9388 15.9054 15.9054 18.8198 18.8198 20.3494 20.3494 21.4922 21.4922 k = 0.3333 0.3333-0.0000 ( 1155 PWs) bands (ev): -1.6755 -1.6755 -1.6162 -1.6162 -0.8653 -0.8653 -0.7968 -0.7968 -0.6769 -0.6769 2.8061 2.8061 7.8382 7.8382 8.3413 8.3413 13.2084 13.2084 15.8138 15.8138 18.7177 18.7177 20.3915 20.3915 21.5633 21.5633 k = 0.3258 0.3258-0.0000 ( 1155 PWs) bands (ev): -1.6704 -1.6704 -1.6169 -1.6169 -0.8625 -0.8625 -0.7979 -0.7979 -0.6818 -0.6818 2.6705 2.6705 7.8947 7.8947 8.4213 8.4213 13.4812 13.4812 15.7195 15.7195 18.6172 18.6172 20.4415 20.4415 21.6376 21.6376 k = 0.3182 0.3182-0.0000 ( 1155 PWs) bands (ev): -1.6655 -1.6655 -1.6175 -1.6175 -0.8595 -0.8595 -0.7989 -0.7989 -0.6865 -0.6865 2.5372 2.5372 7.9543 7.9543 8.5045 8.5045 13.7569 13.7569 15.6231 15.6231 18.5184 18.5184 20.4992 20.4992 21.7150 21.7150 k = 0.3106 0.3106-0.0000 ( 1163 PWs) bands (ev): -1.6608 -1.6608 -1.6182 -1.6182 -0.8564 -0.8564 -0.7999 -0.7999 -0.6911 -0.6911 2.4061 2.4061 8.0169 8.0169 8.5906 8.5906 14.0350 14.0350 15.5253 15.5253 18.4214 18.4214 20.5642 20.5642 21.7952 21.7952 k = 0.3030 0.3030-0.0000 ( 1165 PWs) bands (ev): -1.6562 -1.6562 -1.6189 -1.6189 -0.8533 -0.8533 -0.8009 -0.8009 -0.6953 -0.6953 2.2776 2.2776 8.0826 8.0826 8.6796 8.6796 14.3145 14.3145 15.4273 15.4273 18.3263 18.3263 20.6362 20.6362 21.8783 21.8783 k = 0.2955 0.2955-0.0000 ( 1165 PWs) bands (ev): -1.6518 -1.6518 -1.6195 -1.6195 -0.8501 -0.8501 -0.8019 -0.8019 -0.6992 -0.6992 2.1516 2.1516 8.1514 8.1514 8.7715 8.7715 14.5933 14.5933 15.3315 15.3315 18.2331 18.2331 20.7148 20.7148 21.9640 21.9640 k = 0.2879 0.2879-0.0000 ( 1165 PWs) bands (ev): -1.6477 -1.6477 -1.6202 -1.6202 -0.8469 -0.8469 -0.8029 -0.8029 -0.7028 -0.7028 2.0283 2.0283 8.2232 8.2232 8.8661 8.8661 14.8610 14.8610 15.2483 15.2483 18.1422 18.1422 20.7996 20.7996 22.0522 22.0522 k = 0.2803 0.2803-0.0000 ( 1165 PWs) bands (ev): -1.6438 -1.6438 -1.6209 -1.6209 -0.8437 -0.8437 -0.8038 -0.8038 -0.7060 -0.7060 1.9077 1.9077 8.2981 8.2981 8.9635 8.9635 15.0246 15.0246 15.2707 15.2707 18.0536 18.0536 20.8903 20.8903 22.1424 22.1424 k = 0.2727 0.2727-0.0000 ( 1169 PWs) bands (ev): -1.6401 -1.6401 -1.6216 -1.6216 -0.8406 -0.8406 -0.8047 -0.8047 -0.7087 -0.7087 1.7899 1.7899 8.3762 8.3762 9.0635 9.0635 14.9762 14.9762 15.5064 15.5064 17.9678 17.9678 20.9866 20.9866 22.2342 22.2342 k = 0.2652 0.2652-0.0000 ( 1169 PWs) bands (ev): -1.6368 -1.6368 -1.6222 -1.6222 -0.8375 -0.8375 -0.8055 -0.8055 -0.7110 -0.7110 1.6750 1.6750 8.4573 8.4573 9.1660 9.1660 14.8845 14.8845 15.7860 15.7860 17.8855 17.8855 21.0881 21.0881 22.3268 22.3268 k = 0.2576 0.2576-0.0000 ( 1169 PWs) bands (ev): -1.6337 -1.6337 -1.6229 -1.6229 -0.8345 -0.8345 -0.8063 -0.8063 -0.7127 -0.7127 1.5630 1.5630 8.5415 8.5415 9.2710 9.2710 14.7866 14.7866 16.0715 16.0715 17.8078 17.8078 21.1947 21.1947 22.4183 22.4183 k = 0.2500 0.2500-0.0000 ( 1165 PWs) bands (ev): -1.6309 -1.6309 -1.6236 -1.6236 -0.8317 -0.8317 -0.8069 -0.8069 -0.7140 -0.7140 1.4540 1.4540 8.6288 8.6288 9.3783 9.3783 14.6873 14.6873 16.3552 16.3552 17.7376 17.7376 21.3058 21.3058 22.5033 22.5033 k = 0.2424 0.2424-0.0000 ( 1173 PWs) bands (ev): -1.6285 -1.6285 -1.6242 -1.6242 -0.8290 -0.8290 -0.8076 -0.8076 -0.7147 -0.7147 1.3480 1.3480 8.7192 8.7192 9.4879 9.4879 14.5881 14.5881 16.6292 16.6292 17.6811 17.6811 21.4212 21.4212 22.5353 22.5353 k = 0.2348 0.2348-0.0000 ( 1173 PWs) bands (ev): -1.6264 -1.6264 -1.6248 -1.6248 -0.8266 -0.8266 -0.8081 -0.8081 -0.7148 -0.7148 1.2450 1.2450 8.8128 8.8128 9.5997 9.5997 14.4898 14.4898 16.8758 16.8758 17.6553 17.6553 21.5404 21.5404 22.3485 22.3485 k = 0.2273 0.2273-0.0000 ( 1173 PWs) bands (ev): -1.6258 -1.6258 -1.6242 -1.6242 -0.8245 -0.8245 -0.8084 -0.8084 -0.7144 -0.7144 1.1452 1.1452 8.9095 8.9095 9.7136 9.7136 14.3928 14.3928 17.0540 17.0540 17.7005 17.7005 21.6621 21.6621 22.1105 22.1105 k = 0.2197 0.2197-0.0000 ( 1173 PWs) bands (ev): -1.6263 -1.6263 -1.6228 -1.6228 -0.8226 -0.8226 -0.8087 -0.8087 -0.7134 -0.7134 1.0484 1.0484 9.0092 9.0092 9.8295 9.8295 14.2973 14.2973 17.1221 17.1221 17.8581 17.8581 21.7767 21.7767 21.8768 21.8768 k = 0.2121 0.2121-0.0000 ( 1173 PWs) bands (ev): -1.6269 -1.6269 -1.6216 -1.6216 -0.8210 -0.8210 -0.8088 -0.8088 -0.7119 -0.7119 0.9548 0.9548 9.1121 9.1121 9.9472 9.9472 14.2037 14.2037 17.1083 17.1083 18.0991 18.0991 21.6155 21.6155 21.9176 21.9176 k = 0.2045 0.2045-0.0000 ( 1169 PWs) bands (ev): -1.6275 -1.6275 -1.6206 -1.6206 -0.8197 -0.8197 -0.8087 -0.8087 -0.7099 -0.7099 0.8644 0.8644 9.2181 9.2181 10.0666 10.0666 14.1121 14.1121 17.0578 17.0578 18.3774 18.3774 21.3757 21.3757 22.0124 22.0124 k = 0.1970 0.1970-0.0000 ( 1169 PWs) bands (ev): -1.6281 -1.6281 -1.6200 -1.6200 -0.8187 -0.8187 -0.8086 -0.8086 -0.7075 -0.7075 0.7772 0.7772 9.3272 9.3272 10.1876 10.1876 14.0227 14.0227 16.9914 16.9914 18.6712 18.6712 21.1385 21.1385 21.9210 21.9210 k = 0.1894 0.1894-0.0000 ( 1173 PWs) bands (ev): -1.6288 -1.6288 -1.6196 -1.6196 -0.8179 -0.8179 -0.8083 -0.8083 -0.7046 -0.7046 0.6932 0.6932 9.4393 9.4393 10.3101 10.3101 13.9358 13.9358 16.9167 16.9167 18.9712 18.9712 20.9074 20.9074 21.7117 21.7117 k = 0.1818 0.1818-0.0000 ( 1173 PWs) bands (ev): -1.6294 -1.6294 -1.6194 -1.6194 -0.8173 -0.8173 -0.8080 -0.8080 -0.7014 -0.7014 0.6125 0.6125 9.5545 9.5545 10.4338 10.4338 13.8515 13.8515 16.8366 16.8366 19.2709 19.2709 20.6866 20.6866 21.4890 21.4890 k = 0.1742 0.1742-0.0000 ( 1163 PWs) bands (ev): -1.6300 -1.6300 -1.6195 -1.6195 -0.8167 -0.8167 -0.8076 -0.8076 -0.6979 -0.6979 0.5350 0.5350 9.6726 9.6726 10.5586 10.5586 13.7699 13.7699 16.7522 16.7522 19.5590 19.5590 20.4862 20.4862 21.2648 21.2648 k = 0.1667 0.1667-0.0000 ( 1163 PWs) bands (ev): -1.6306 -1.6306 -1.6197 -1.6197 -0.8163 -0.8163 -0.8073 -0.8073 -0.6942 -0.6942 0.4608 0.4608 9.7937 9.7937 10.6842 10.6842 13.6912 13.6912 16.6640 16.6640 19.7932 19.7932 20.3483 20.3483 21.0421 21.0421 k = 0.1591 0.1591-0.0000 ( 1165 PWs) bands (ev): -1.6311 -1.6311 -1.6202 -1.6202 -0.8158 -0.8158 -0.8069 -0.8069 -0.6903 -0.6903 0.3900 0.3900 9.9177 9.9177 10.8106 10.8106 13.6156 13.6156 16.5717 16.5717 19.8340 19.8340 20.4119 20.4119 20.8226 20.8226 k = 0.1515 0.1515-0.0000 ( 1173 PWs) bands (ev): -1.6317 -1.6317 -1.6208 -1.6208 -0.8154 -0.8154 -0.8066 -0.8066 -0.6863 -0.6863 0.3224 0.3224 10.0444 10.0444 10.9373 10.9373 13.5432 13.5432 16.4752 16.4752 19.7014 19.7014 20.5915 20.5915 20.6725 20.6725 k = 0.1439 0.1439-0.0000 ( 1173 PWs) bands (ev): -1.6323 -1.6323 -1.6216 -1.6216 -0.8149 -0.8149 -0.8064 -0.8064 -0.6823 -0.6823 0.2582 0.2582 10.1739 10.1739 11.0642 11.0642 13.4742 13.4742 16.3740 16.3740 19.5298 19.5298 20.3885 20.3885 20.9571 20.9571 k = 0.1364 0.1364-0.0000 ( 1173 PWs) bands (ev): -1.6328 -1.6328 -1.6225 -1.6225 -0.8145 -0.8145 -0.8062 -0.8062 -0.6782 -0.6782 0.1973 0.1973 10.3059 10.3059 11.1908 11.1908 13.4086 13.4086 16.2678 16.2678 19.3549 19.3549 20.1801 20.1801 21.2637 21.2637 k = 0.1288 0.1288-0.0000 ( 1167 PWs) bands (ev): -1.6333 -1.6333 -1.6235 -1.6235 -0.8140 -0.8140 -0.8060 -0.8060 -0.6742 -0.6742 0.1398 0.1398 10.4403 10.4403 11.3170 11.3170 13.3468 13.3468 16.1560 16.1560 19.1854 19.1854 19.9759 19.9759 21.5742 21.5742 k = 0.1212 0.1212-0.0000 ( 1167 PWs) bands (ev): -1.6338 -1.6338 -1.6246 -1.6246 -0.8135 -0.8135 -0.8059 -0.8059 -0.6702 -0.6702 0.0856 0.0856 10.5770 10.5770 11.4422 11.4422 13.2889 13.2889 16.0384 16.0384 19.0247 19.0247 19.7768 19.7768 21.8845 21.8845 k = 0.1136 0.1136-0.0000 ( 1175 PWs) bands (ev): -1.6343 -1.6343 -1.6258 -1.6258 -0.8130 -0.8130 -0.8059 -0.8059 -0.6663 -0.6663 0.0348 0.0348 10.7157 10.7157 11.5660 11.5660 13.2351 13.2351 15.9148 15.9148 18.8742 18.8742 19.5834 19.5834 22.1922 22.1922 k = 0.1061 0.1061-0.0000 ( 1175 PWs) bands (ev): -1.6348 -1.6348 -1.6270 -1.6270 -0.8124 -0.8124 -0.8058 -0.8058 -0.6626 -0.6626 -0.0126 -0.0126 10.8560 10.8560 11.6881 11.6881 13.1857 13.1857 15.7850 15.7850 18.7348 18.7348 19.3961 19.3961 22.4951 22.4951 k = 0.0985 0.0985-0.0000 ( 1181 PWs) bands (ev): -1.6352 -1.6352 -1.6282 -1.6282 -0.8119 -0.8119 -0.8059 -0.8059 -0.6591 -0.6591 -0.0567 -0.0567 10.9975 10.9975 11.8077 11.8077 13.1409 13.1409 15.6491 15.6491 18.6069 18.6069 19.2156 19.2156 22.7906 22.7906 k = 0.0909 0.0909-0.0000 ( 1181 PWs) bands (ev): -1.6356 -1.6356 -1.6294 -1.6294 -0.8114 -0.8114 -0.8059 -0.8059 -0.6558 -0.6558 -0.0973 -0.0973 11.1397 11.1397 11.9245 11.9245 13.1010 13.1010 15.5075 15.5075 18.4907 18.4907 19.0425 19.0425 23.0758 23.0758 k = 0.0833 0.0833-0.0000 ( 1179 PWs) bands (ev): -1.6360 -1.6360 -1.6306 -1.6306 -0.8108 -0.8108 -0.8060 -0.8060 -0.6527 -0.6527 -0.1346 -0.1346 11.2818 11.2818 12.0379 12.0379 13.0665 13.0665 15.3608 15.3608 18.3860 18.3860 18.8776 18.8776 23.3470 23.3470 k = 0.0758 0.0758-0.0000 ( 1183 PWs) bands (ev): -1.6364 -1.6364 -1.6318 -1.6318 -0.8104 -0.8104 -0.8061 -0.8061 -0.6498 -0.6498 -0.1686 -0.1686 11.4226 11.4226 12.1474 12.1474 13.0378 13.0378 15.2095 15.2095 18.2927 18.2927 18.7217 18.7217 23.6002 23.6002 k = 0.0682 0.0682-0.0000 ( 1183 PWs) bands (ev): -1.6368 -1.6368 -1.6329 -1.6329 -0.8099 -0.8099 -0.8063 -0.8063 -0.6473 -0.6473 -0.1992 -0.1992 11.5608 11.5608 12.2529 12.2529 13.0154 13.0154 15.0546 15.0546 18.2103 18.2103 18.5757 18.5757 23.8310 23.8310 k = 0.0606 0.0606-0.0000 ( 1187 PWs) bands (ev): -1.6371 -1.6371 -1.6340 -1.6340 -0.8094 -0.8094 -0.8065 -0.8065 -0.6450 -0.6450 -0.2264 -0.2264 11.6940 11.6940 12.3545 12.3545 12.9997 12.9997 14.8973 14.8973 18.1383 18.1383 18.4406 18.4406 24.0361 24.0361 k = 0.0530 0.0530-0.0000 ( 1187 PWs) bands (ev): -1.6374 -1.6374 -1.6349 -1.6349 -0.8090 -0.8090 -0.8067 -0.8067 -0.6430 -0.6430 -0.2503 -0.2503 11.8195 11.8195 12.4530 12.4530 12.9909 12.9909 14.7388 14.7388 18.0762 18.0762 18.3175 18.3175 24.2134 24.2134 k = 0.0455 0.0455-0.0000 ( 1191 PWs) bands (ev): -1.6376 -1.6376 -1.6358 -1.6358 -0.8087 -0.8087 -0.8069 -0.8069 -0.6413 -0.6413 -0.2710 -0.2710 11.9334 11.9334 12.5502 12.5502 12.9890 12.9890 14.5808 14.5808 18.0236 18.0236 18.2074 18.2074 24.3625 24.3625 k = 0.0379 0.0379-0.0000 ( 1191 PWs) bands (ev): -1.6378 -1.6378 -1.6365 -1.6365 -0.8084 -0.8084 -0.8071 -0.8071 -0.6398 -0.6398 -0.2884 -0.2884 12.0319 12.0319 12.6480 12.6480 12.9930 12.9930 14.4255 14.4255 17.9799 17.9799 18.1117 18.1117 24.4846 24.4846 k = 0.0303 0.0303-0.0000 ( 1193 PWs) bands (ev): -1.6380 -1.6380 -1.6372 -1.6372 -0.8081 -0.8081 -0.8073 -0.8073 -0.6387 -0.6387 -0.3025 -0.3025 12.1117 12.1117 12.7474 12.7474 13.0012 13.0012 14.2763 14.2763 17.9448 17.9448 18.0314 18.0314 24.5815 24.5815 k = 0.0227 0.0227-0.0000 ( 1189 PWs) bands (ev): -1.6381 -1.6381 -1.6377 -1.6377 -0.8079 -0.8079 -0.8074 -0.8074 -0.6378 -0.6378 -0.3135 -0.3135 12.1713 12.1713 12.8461 12.8461 13.0115 13.0115 14.1381 14.1381 17.9179 17.9179 17.9676 17.9676 24.6549 24.6549 k = 0.0152 0.0152-0.0000 ( 1189 PWs) bands (ev): -1.6382 -1.6382 -1.6380 -1.6380 -0.8078 -0.8078 -0.8075 -0.8075 -0.6372 -0.6372 -0.3213 -0.3213 12.2118 12.2118 12.9367 12.9367 13.0212 13.0212 14.0198 14.0198 17.8988 17.8988 17.9213 17.9213 24.7063 24.7063 k = 0.0076 0.0076-0.0000 ( 1189 PWs) bands (ev): -1.6383 -1.6383 -1.6382 -1.6382 -0.8077 -0.8077 -0.8076 -0.8076 -0.6368 -0.6368 -0.3260 -0.3260 12.2349 12.2349 13.0045 13.0045 13.0280 13.0280 13.9357 13.9357 17.8875 17.8875 17.8932 17.8932 24.7367 24.7367 k = 0.0000 0.0000 0.0000 ( 1189 PWs) bands (ev): -1.6383 -1.6383 -1.6383 -1.6383 -0.8076 -0.8076 -0.8076 -0.8076 -0.6367 -0.6367 -0.3276 -0.3276 12.2423 12.2423 13.0304 13.0304 13.0304 13.0304 13.9044 13.9044 17.8837 17.8837 17.8837 17.8837 24.7467 24.7467 k = 0.0000 0.0000 0.0000 ( 1189 PWs) bands (ev): -1.6383 -1.6383 -1.6383 -1.6383 -0.8076 -0.8076 -0.8076 -0.8076 -0.6367 -0.6367 -0.3276 -0.3276 12.2423 12.2423 13.0304 13.0304 13.0304 13.0304 13.9044 13.9044 17.8837 17.8837 17.8837 17.8837 24.7467 24.7467 k = 0.0062 0.0062 0.0062 ( 1189 PWs) bands (ev): -1.6383 -1.6383 -1.6383 -1.6383 -0.8077 -0.8077 -0.8076 -0.8076 -0.6368 -0.6368 -0.3260 -0.3260 12.2349 12.2349 13.0064 13.0064 13.0260 13.0260 13.9357 13.9357 17.8900 17.8900 17.8906 17.8906 24.7367 24.7367 k = 0.0123 0.0123 0.0123 ( 1189 PWs) bands (ev): -1.6382 -1.6382 -1.6381 -1.6381 -0.8078 -0.8078 -0.8075 -0.8075 -0.6372 -0.6372 -0.3214 -0.3214 12.2127 12.2127 12.9432 12.9432 13.0129 13.0129 14.0207 14.0207 17.9089 17.9089 17.9110 17.9110 24.7063 24.7063 k = 0.0185 0.0185 0.0185 ( 1192 PWs) bands (ev): -1.6380 -1.6380 -1.6378 -1.6378 -0.8080 -0.8080 -0.8074 -0.8074 -0.6378 -0.6378 -0.3136 -0.3136 12.1753 12.1753 12.8582 12.8582 12.9914 12.9914 14.1425 14.1425 17.9402 17.9402 17.9447 17.9447 24.6548 24.6548 k = 0.0247 0.0247 0.0247 ( 1192 PWs) bands (ev): -1.6377 -1.6377 -1.6375 -1.6375 -0.8082 -0.8082 -0.8072 -0.8072 -0.6387 -0.6387 -0.3026 -0.3026 12.1227 12.1227 12.7649 12.7649 12.9617 12.9617 14.2879 14.2879 17.9835 17.9835 17.9914 17.9914 24.5811 24.5811 k = 0.0309 0.0309 0.0309 ( 1192 PWs) bands (ev): -1.6373 -1.6373 -1.6370 -1.6370 -0.8085 -0.8085 -0.8069 -0.8069 -0.6399 -0.6399 -0.2885 -0.2885 12.0553 12.0553 12.6712 12.6712 12.9244 12.9244 14.4490 14.4490 18.0386 18.0386 18.0506 18.0506 24.4844 24.4844 k = 0.0370 0.0370 0.0370 ( 1186 PWs) bands (ev): -1.6369 -1.6369 -1.6365 -1.6365 -0.8090 -0.8090 -0.8066 -0.8066 -0.6414 -0.6414 -0.2711 -0.2711 11.9745 11.9745 12.5807 12.5807 12.8800 12.8800 14.6212 14.6212 18.1050 18.1050 18.1217 18.1217 24.3644 24.3644 k = 0.0432 0.0432 0.0432 ( 1186 PWs) bands (ev): -1.6364 -1.6364 -1.6359 -1.6359 -0.8096 -0.8096 -0.8062 -0.8062 -0.6431 -0.6431 -0.2504 -0.2504 11.8821 11.8821 12.4944 12.4944 12.8293 12.8293 14.8020 14.8020 18.1823 18.1823 18.2041 18.2041 24.2217 24.2217 k = 0.0494 0.0494 0.0494 ( 1186 PWs) bands (ev): -1.6358 -1.6358 -1.6352 -1.6352 -0.8102 -0.8102 -0.8058 -0.8058 -0.6453 -0.6453 -0.2264 -0.2264 11.7809 11.7809 12.4117 12.4117 12.7728 12.7728 14.9897 14.9897 18.2697 18.2697 18.2972 18.2972 24.0580 24.0580 k = 0.0556 0.0556 0.0556 ( 1186 PWs) bands (ev): -1.6352 -1.6352 -1.6345 -1.6345 -0.8110 -0.8110 -0.8053 -0.8053 -0.6477 -0.6477 -0.1991 -0.1991 11.6735 11.6735 12.3316 12.3316 12.7112 12.7112 15.1833 15.1833 18.3670 18.3670 18.4002 18.4002 23.8753 23.8753 k = 0.0617 0.0617 0.0617 ( 1186 PWs) bands (ev): -1.6345 -1.6345 -1.6337 -1.6337 -0.8120 -0.8120 -0.8047 -0.8047 -0.6505 -0.6505 -0.1683 -0.1683 11.5622 11.5622 12.2529 12.2529 12.6453 12.6453 15.3820 15.3820 18.4734 18.4734 18.5125 18.5125 23.6765 23.6765 k = 0.0679 0.0679 0.0679 ( 1186 PWs) bands (ev): -1.6338 -1.6338 -1.6328 -1.6328 -0.8130 -0.8130 -0.8040 -0.8040 -0.6536 -0.6536 -0.1342 -0.1342 11.4487 11.4487 12.1749 12.1749 12.5756 12.5756 15.5852 15.5852 18.5884 18.5884 18.6335 18.6335 23.4641 23.4641 k = 0.0741 0.0741 0.0741 ( 1186 PWs) bands (ev): -1.6330 -1.6330 -1.6320 -1.6320 -0.8142 -0.8142 -0.8033 -0.8033 -0.6570 -0.6570 -0.0967 -0.0967 11.3345 11.3345 12.0969 12.0969 12.5028 12.5028 15.7925 15.7925 18.7116 18.7116 18.7626 18.7626 23.2408 23.2408 k = 0.0802 0.0802 0.0802 ( 1186 PWs) bands (ev): -1.6321 -1.6321 -1.6311 -1.6311 -0.8155 -0.8155 -0.8025 -0.8025 -0.6607 -0.6607 -0.0557 -0.0557 11.2206 11.2206 12.0187 12.0187 12.4274 12.4274 16.0035 16.0035 18.8424 18.8424 18.8992 18.8992 23.0088 23.0088 k = 0.0864 0.0864 0.0864 ( 1186 PWs) bands (ev): -1.6312 -1.6312 -1.6303 -1.6303 -0.8168 -0.8168 -0.8016 -0.8016 -0.6647 -0.6647 -0.0113 -0.0113 11.1076 11.1076 11.9401 11.9401 12.3499 12.3499 16.2178 16.2178 18.9803 18.9803 19.0428 19.0428 22.7701 22.7701 k = 0.0926 0.0926 0.0926 ( 1174 PWs) bands (ev): -1.6303 -1.6303 -1.6294 -1.6294 -0.8183 -0.8183 -0.8007 -0.8007 -0.6690 -0.6690 0.0365 0.0365 10.9963 10.9963 11.8612 11.8612 12.2709 12.2709 16.4350 16.4350 19.1249 19.1249 19.1930 19.1930 22.5266 22.5266 k = 0.0988 0.0988 0.0988 ( 1174 PWs) bands (ev): -1.6293 -1.6293 -1.6286 -1.6286 -0.8198 -0.8198 -0.7996 -0.7996 -0.6735 -0.6735 0.0878 0.0878 10.8868 10.8868 11.7821 11.7821 12.1908 12.1908 16.6547 16.6547 19.2758 19.2758 19.3492 19.3492 22.2797 22.2797 k = 0.1049 0.1049 0.1049 ( 1174 PWs) bands (ev): -1.6284 -1.6284 -1.6278 -1.6278 -0.8213 -0.8213 -0.7985 -0.7985 -0.6784 -0.6784 0.1424 0.1424 10.7796 10.7796 11.7029 11.7029 12.1100 12.1100 16.8763 16.8763 19.4326 19.4326 19.5112 19.5112 22.0310 22.0310 k = 0.1111 0.1111 0.1111 ( 1180 PWs) bands (ev): -1.6274 -1.6274 -1.6271 -1.6271 -0.8229 -0.8229 -0.7973 -0.7973 -0.6834 -0.6834 0.2005 0.2005 10.6747 10.6747 11.6238 11.6238 12.0288 12.0288 17.0993 17.0993 19.5949 19.5949 19.6786 19.6786 21.7817 21.7817 k = 0.1173 0.1173 0.1173 ( 1174 PWs) bands (ev): -1.6264 -1.6264 -1.6263 -1.6263 -0.8244 -0.8244 -0.7959 -0.7959 -0.6886 -0.6886 0.2620 0.2620 10.5724 10.5724 11.5450 11.5450 11.9475 11.9475 17.3228 17.3228 19.7623 19.7623 19.8511 19.8511 21.5334 21.5334 k = 0.1235 0.1235 0.1235 ( 1180 PWs) bands (ev): -1.6259 -1.6259 -1.6253 -1.6253 -0.8259 -0.8259 -0.7945 -0.7945 -0.6941 -0.6941 0.3268 0.3268 10.4728 10.4728 11.4666 11.4666 11.8666 11.8666 17.5456 17.5456 19.9343 19.9343 20.0283 20.0283 21.2877 21.2877 k = 0.1296 0.1296 0.1296 ( 1180 PWs) bands (ev): -1.6254 -1.6254 -1.6243 -1.6243 -0.8274 -0.8274 -0.7930 -0.7930 -0.6997 -0.6997 0.3951 0.3951 10.3759 10.3759 11.3889 11.3889 11.7861 11.7861 17.7659 17.7659 20.1104 20.1104 20.2099 20.2099 21.0470 21.0470 k = 0.1358 0.1358 0.1358 ( 1186 PWs) bands (ev): -1.6250 -1.6250 -1.6234 -1.6234 -0.8287 -0.8287 -0.7914 -0.7914 -0.7055 -0.7055 0.4667 0.4667 10.2818 10.2818 11.3120 11.3120 11.7065 11.7065 17.9812 17.9812 20.2887 20.2887 20.3957 20.3957 20.8151 20.8151 k = 0.1420 0.1420 0.1420 ( 1180 PWs) bands (ev): -1.6247 -1.6247 -1.6224 -1.6224 -0.8300 -0.8300 -0.7896 -0.7896 -0.7115 -0.7115 0.5416 0.5416 10.1905 10.1905 11.2362 11.2362 11.6278 11.6278 18.1870 18.1870 20.4560 20.4560 20.5853 20.5853 20.6091 20.6091 k = 0.1481 0.1481 0.1481 ( 1180 PWs) bands (ev): -1.6245 -1.6245 -1.6215 -1.6215 -0.8311 -0.8311 -0.7878 -0.7878 -0.7176 -0.7176 0.6199 0.6199 10.1020 10.1020 11.1616 11.1616 11.5503 11.5503 18.3756 18.3756 20.3743 20.3743 20.6714 20.6714 20.7780 20.7780 k = 0.1543 0.1543 0.1543 ( 1180 PWs) bands (ev): -1.6245 -1.6245 -1.6206 -1.6206 -0.8320 -0.8320 -0.7858 -0.7858 -0.7238 -0.7238 0.7015 0.7015 10.0164 10.0164 11.0883 11.0883 11.4742 11.4742 18.5336 18.5336 20.2095 20.2095 20.8360 20.8360 20.9710 20.9710 k = 0.1605 0.1605 0.1605 ( 1165 PWs) bands (ev): -1.6245 -1.6245 -1.6197 -1.6197 -0.8328 -0.8328 -0.7837 -0.7837 -0.7301 -0.7301 0.7863 0.7863 9.9335 9.9335 11.0166 11.0166 11.3997 11.3997 18.6391 18.6391 20.0943 20.0943 20.8772 20.8772 21.1269 21.1269 k = 0.1667 0.1667 0.1667 ( 1165 PWs) bands (ev): -1.6247 -1.6247 -1.6189 -1.6189 -0.8334 -0.8334 -0.7815 -0.7815 -0.7365 -0.7365 0.8745 0.8745 9.8535 9.8535 10.9464 10.9464 11.3268 11.3268 18.6667 18.6667 20.0554 20.0554 20.7056 20.7056 20.9794 20.9794 k = 0.1728 0.1728 0.1728 ( 1165 PWs) bands (ev): -1.6251 -1.6251 -1.6182 -1.6182 -0.8338 -0.8338 -0.7792 -0.7792 -0.7429 -0.7429 0.9658 0.9658 9.7763 9.7763 10.8780 10.8780 11.2558 11.2558 18.6076 18.6076 20.0941 20.0941 20.5049 20.5049 20.7572 20.7572 k = 0.1790 0.1790 0.1790 ( 1177 PWs) bands (ev): -1.6256 -1.6256 -1.6176 -1.6176 -0.8340 -0.8340 -0.7768 -0.7768 -0.7494 -0.7494 1.0604 1.0604 9.7018 9.7018 10.8116 10.8116 11.1867 11.1867 18.4793 18.4793 20.1302 20.1302 20.3718 20.3718 20.5321 20.5321 k = 0.1852 0.1852 0.1852 ( 1177 PWs) bands (ev): -1.6262 -1.6262 -1.6170 -1.6170 -0.8340 -0.8340 -0.7742 -0.7742 -0.7559 -0.7559 1.1582 1.1582 9.6301 9.6301 10.7471 10.7471 11.1197 11.1197 18.3079 18.3079 19.9876 19.9876 20.3079 20.3079 20.4607 20.4607 k = 0.1914 0.1914 0.1914 ( 1177 PWs) bands (ev): -1.6270 -1.6270 -1.6165 -1.6165 -0.8338 -0.8338 -0.7715 -0.7715 -0.7623 -0.7623 1.2591 1.2591 9.5612 9.5612 10.6847 10.6847 11.0549 11.0549 18.1124 18.1124 19.7812 19.7812 20.0851 20.0851 20.6380 20.6380 k = 0.1975 0.1975 0.1975 ( 1177 PWs) bands (ev): -1.6279 -1.6279 -1.6161 -1.6161 -0.8334 -0.8334 -0.7687 -0.7687 -0.7687 -0.7687 1.3631 1.3631 9.4949 9.4949 10.6245 10.6245 10.9924 10.9924 17.9039 17.9039 19.5663 19.5663 19.8642 19.8642 20.8368 20.8368 k = 0.2037 0.2037 0.2037 ( 1177 PWs) bands (ev): -1.6289 -1.6289 -1.6158 -1.6158 -0.8331 -0.8331 -0.7748 -0.7748 -0.7658 -0.7658 1.4702 1.4702 9.4314 9.4314 10.5666 10.5666 10.9322 10.9322 17.6886 17.6886 19.3503 19.3503 19.6452 19.6452 21.0420 21.0420 k = 0.2099 0.2099 0.2099 ( 1177 PWs) bands (ev): -1.6301 -1.6301 -1.6156 -1.6156 -0.8327 -0.8327 -0.7806 -0.7806 -0.7627 -0.7627 1.5803 1.5803 9.3705 9.3705 10.5110 10.5110 10.8745 10.8745 17.4700 17.4700 19.1350 19.1350 19.4282 19.4282 21.2460 21.2460 k = 0.2160 0.2160 0.2160 ( 1177 PWs) bands (ev): -1.6314 -1.6314 -1.6156 -1.6156 -0.8326 -0.8326 -0.7858 -0.7858 -0.7595 -0.7595 1.6934 1.6934 9.3122 9.3122 10.4579 10.4579 10.8194 10.8194 17.2504 17.2504 18.9211 18.9211 19.2134 19.2134 21.4433 21.4433 k = 0.2222 0.2222 0.2222 ( 1183 PWs) bands (ev): -1.6328 -1.6328 -1.6156 -1.6156 -0.8331 -0.8331 -0.7903 -0.7903 -0.7562 -0.7562 1.8094 1.8094 9.2565 9.2565 10.4074 10.4074 10.7668 10.7668 17.0312 17.0312 18.7089 18.7089 19.0006 19.0006 21.6283 21.6283 k = 0.2284 0.2284 0.2284 ( 1177 PWs) bands (ev): -1.6342 -1.6342 -1.6158 -1.6158 -0.8344 -0.8344 -0.7935 -0.7935 -0.7528 -0.7528 1.9283 1.9283 9.2035 9.2035 10.3594 10.3594 10.7170 10.7170 16.8134 16.8134 18.4987 18.4987 18.7901 18.7901 21.7952 21.7952 k = 0.2346 0.2346 0.2346 ( 1178 PWs) bands (ev): -1.6358 -1.6358 -1.6161 -1.6161 -0.8368 -0.8368 -0.7953 -0.7953 -0.7493 -0.7493 2.0501 2.0501 9.1530 9.1530 10.3140 10.3140 10.6698 10.6698 16.5975 16.5975 18.2906 18.2906 18.5817 18.5817 21.9371 21.9371 k = 0.2407 0.2407 0.2407 ( 1178 PWs) bands (ev): -1.6375 -1.6375 -1.6165 -1.6165 -0.8405 -0.8405 -0.7956 -0.7956 -0.7456 -0.7456 2.1745 2.1745 9.1051 9.1051 10.2714 10.2714 10.6255 10.6255 16.3842 16.3842 18.0846 18.0846 18.3756 18.3756 22.0469 22.0469 k = 0.2469 0.2469 0.2469 ( 1166 PWs) bands (ev): -1.6392 -1.6392 -1.6171 -1.6171 -0.8452 -0.8452 -0.7944 -0.7944 -0.7419 -0.7419 2.3017 2.3017 9.0598 9.0598 10.2316 10.2316 10.5840 10.5840 16.1738 16.1738 17.8808 17.8808 18.1718 18.1718 22.1172 22.1172 k = 0.2531 0.2531 0.2531 ( 1166 PWs) bands (ev): -1.6410 -1.6410 -1.6178 -1.6178 -0.8507 -0.8507 -0.7922 -0.7922 -0.7381 -0.7381 2.4314 2.4314 9.0171 9.0171 10.1945 10.1945 10.5455 10.5455 15.9666 15.9666 17.6793 17.6793 17.9703 17.9703 22.1417 22.1417 k = 0.2593 0.2593 0.2593 ( 1166 PWs) bands (ev): -1.6428 -1.6428 -1.6186 -1.6186 -0.8567 -0.8567 -0.7892 -0.7892 -0.7341 -0.7341 2.5636 2.5636 8.9771 8.9771 10.1603 10.1603 10.5098 10.5098 15.7629 15.7629 17.4800 17.4800 17.7711 17.7711 22.1168 22.1168 k = 0.2654 0.2654 0.2654 ( 1166 PWs) bands (ev): -1.6446 -1.6446 -1.6196 -1.6196 -0.8630 -0.8630 -0.7855 -0.7855 -0.7301 -0.7301 2.6983 2.6983 8.9396 8.9396 10.1290 10.1290 10.4772 10.4772 15.5629 15.5629 17.2832 17.2832 17.5742 17.5742 22.0427 22.0427 k = 0.2716 0.2716 0.2716 ( 1166 PWs) bands (ev): -1.6465 -1.6465 -1.6207 -1.6207 -0.8696 -0.8696 -0.7812 -0.7812 -0.7260 -0.7260 2.8352 2.8352 8.9048 8.9048 10.1006 10.1006 10.4476 10.4476 15.3668 15.3668 17.0886 17.0886 17.3797 17.3797 21.9229 21.9229 k = 0.2778 0.2778 0.2778 ( 1163 PWs) bands (ev): -1.6484 -1.6484 -1.6219 -1.6219 -0.8763 -0.8763 -0.7766 -0.7766 -0.7219 -0.7219 2.9742 2.9742 8.8727 8.8727 10.0752 10.0752 10.4210 10.4210 15.1748 15.1748 16.8966 16.8966 17.1877 17.1877 21.7635 21.7635 k = 0.2840 0.2840 0.2840 ( 1163 PWs) bands (ev): -1.6502 -1.6502 -1.6232 -1.6232 -0.8831 -0.8831 -0.7716 -0.7716 -0.7177 -0.7177 3.1153 3.1153 8.8434 8.8434 10.0527 10.0527 10.3975 10.3975 14.9870 14.9870 16.7069 16.7069 16.9980 16.9980 21.5713 21.5713 k = 0.2901 0.2901 0.2901 ( 1163 PWs) bands (ev): -1.6521 -1.6521 -1.6247 -1.6247 -0.8899 -0.8899 -0.7662 -0.7662 -0.7134 -0.7134 3.2582 3.2582 8.8170 8.8170 10.0333 10.0333 10.3771 10.3771 14.8035 14.8035 16.5197 16.5197 16.8108 16.8108 21.3529 21.3529 k = 0.2963 0.2963 0.2963 ( 1157 PWs) bands (ev): -1.6539 -1.6539 -1.6263 -1.6263 -0.8967 -0.8967 -0.7607 -0.7607 -0.7091 -0.7091 3.4027 3.4027 8.7935 8.7935 10.0169 10.0169 10.3599 10.3599 14.6244 14.6244 16.3351 16.3351 16.6261 16.6261 21.1142 21.1142 k = 0.3025 0.3025 0.3025 ( 1163 PWs) bands (ev): -1.6557 -1.6557 -1.6280 -1.6280 -0.9035 -0.9035 -0.7549 -0.7549 -0.7048 -0.7048 3.5487 3.5487 8.7731 8.7731 10.0036 10.0036 10.3458 10.3458 14.4500 14.4500 16.1529 16.1529 16.4439 16.4439 20.8597 20.8597 k = 0.3086 0.3086 0.3086 ( 1163 PWs) bands (ev): -1.6574 -1.6574 -1.6298 -1.6298 -0.9102 -0.9102 -0.7489 -0.7489 -0.7004 -0.7004 3.6959 3.6959 8.7560 8.7560 9.9934 9.9934 10.3349 10.3349 14.2802 14.2802 15.9734 15.9734 16.2643 16.2643 20.5934 20.5934 k = 0.3148 0.3148 0.3148 ( 1163 PWs) bands (ev): -1.6591 -1.6591 -1.6316 -1.6316 -0.9168 -0.9168 -0.7429 -0.7429 -0.6961 -0.6961 3.8441 3.8441 8.7422 8.7422 9.9862 9.9862 10.3271 10.3271 14.1153 14.1153 15.7964 15.7964 16.0872 16.0872 20.3181 20.3181 k = 0.3210 0.3210 0.3210 ( 1166 PWs) bands (ev): -1.6608 -1.6608 -1.6336 -1.6336 -0.9233 -0.9233 -0.7367 -0.7367 -0.6918 -0.6918 3.9929 3.9929 8.7321 8.7321 9.9820 9.9820 10.3225 10.3225 13.9552 13.9552 15.6221 15.6221 15.9127 15.9127 20.0360 20.0360 k = 0.3272 0.3272 0.3272 ( 1166 PWs) bands (ev): -1.6624 -1.6624 -1.6357 -1.6357 -0.9297 -0.9297 -0.7304 -0.7304 -0.6874 -0.6874 4.1421 4.1421 8.7259 8.7259 9.9810 9.9810 10.3211 10.3211 13.8001 13.8001 15.4505 15.4505 15.7409 15.7409 19.7490 19.7490 k = 0.3333 0.3333 0.3333 ( 1166 PWs) bands (ev): -1.6639 -1.6639 -1.6378 -1.6378 -0.9359 -0.9359 -0.7240 -0.7240 -0.6831 -0.6831 4.2912 4.2912 8.7238 8.7238 9.9830 9.9830 10.3229 10.3229 13.6500 13.6500 15.2816 15.2816 15.5717 15.5717 19.4585 19.4585 k = 0.3395 0.3395 0.3395 ( 1166 PWs) bands (ev): -1.6653 -1.6653 -1.6400 -1.6400 -0.9420 -0.9420 -0.7177 -0.7177 -0.6789 -0.6789 4.4399 4.4399 8.7263 8.7263 9.9881 9.9881 10.3278 10.3278 13.5051 13.5051 15.1154 15.1154 15.4052 15.4052 19.1655 19.1655 k = 0.3457 0.3457 0.3457 ( 1166 PWs) bands (ev): -1.6667 -1.6667 -1.6422 -1.6422 -0.9480 -0.9480 -0.7113 -0.7113 -0.6747 -0.6747 4.5876 4.5876 8.7336 8.7336 9.9962 9.9962 10.3359 10.3359 13.3654 13.3654 14.9521 14.9521 15.2416 15.2416 18.8709 18.8709 k = 0.3519 0.3519 0.3519 ( 1166 PWs) bands (ev): -1.6680 -1.6680 -1.6445 -1.6445 -0.9537 -0.9537 -0.7050 -0.7050 -0.6705 -0.6705 4.7338 4.7338 8.7462 8.7462 10.0074 10.0074 10.3471 10.3471 13.2310 13.2310 14.7916 14.7916 15.0807 15.0807 18.5755 18.5755 k = 0.3580 0.3580 0.3580 ( 1154 PWs) bands (ev): -1.6693 -1.6693 -1.6467 -1.6467 -0.9593 -0.9593 -0.6987 -0.6987 -0.6664 -0.6664 4.8780 4.8780 8.7646 8.7646 10.0215 10.0215 10.3614 10.3614 13.1020 13.1020 14.6340 14.6340 14.9227 14.9227 18.2798 18.2798 k = 0.3642 0.3642 0.3642 ( 1154 PWs) bands (ev): -1.6705 -1.6705 -1.6491 -1.6491 -0.9647 -0.9647 -0.6925 -0.6925 -0.6624 -0.6624 5.0195 5.0195 8.7893 8.7893 10.0385 10.0385 10.3787 10.3787 12.9785 12.9785 14.4794 14.4794 14.7676 14.7676 17.9844 17.9844 k = 0.3704 0.3704 0.3704 ( 1154 PWs) bands (ev): -1.6716 -1.6716 -1.6514 -1.6514 -0.9699 -0.9699 -0.6864 -0.6864 -0.6585 -0.6585 5.1577 5.1577 8.8209 8.8209 10.0585 10.0585 10.3991 10.3991 12.8604 12.8604 14.3278 14.3278 14.6155 14.6155 17.6896 17.6896 k = 0.3765 0.3765 0.3765 ( 1148 PWs) bands (ev): -1.6726 -1.6726 -1.6537 -1.6537 -0.9748 -0.9748 -0.6804 -0.6804 -0.6547 -0.6547 5.2917 5.2917 8.8600 8.8600 10.0813 10.0813 10.4224 10.4224 12.7480 12.7480 14.1793 14.1793 14.4665 14.4665 17.3958 17.3958 k = 0.3827 0.3827 0.3827 ( 1148 PWs) bands (ev): -1.6736 -1.6736 -1.6559 -1.6559 -0.9796 -0.9796 -0.6746 -0.6746 -0.6511 -0.6511 5.4209 5.4209 8.9072 8.9072 10.1069 10.1069 10.4486 10.4486 12.6413 12.6413 14.0341 14.0341 14.3206 14.3206 17.1034 17.1034 k = 0.3889 0.3889 0.3889 ( 1148 PWs) bands (ev): -1.6745 -1.6745 -1.6582 -1.6582 -0.9841 -0.9841 -0.6689 -0.6689 -0.6475 -0.6475 5.5446 5.5446 8.9631 8.9631 10.1352 10.1352 10.4776 10.4776 12.5403 12.5403 13.8921 13.8921 14.1780 14.1780 16.8127 16.8127 k = 0.3951 0.3951 0.3951 ( 1151 PWs) bands (ev): -1.6753 -1.6753 -1.6604 -1.6604 -0.9883 -0.9883 -0.6635 -0.6635 -0.6441 -0.6441 5.6620 5.6620 9.0282 9.0282 10.1662 10.1662 10.5093 10.5093 12.4451 12.4451 13.7536 13.7536 14.0387 14.0387 16.5239 16.5239 k = 0.4012 0.4012 0.4012 ( 1145 PWs) bands (ev): -1.6761 -1.6761 -1.6625 -1.6625 -0.9924 -0.9924 -0.6582 -0.6582 -0.6409 -0.6409 5.7725 5.7725 9.1029 9.1029 10.1997 10.1997 10.5436 10.5436 12.3560 12.3560 13.6185 13.6186 13.9029 13.9029 16.2372 16.2372 k = 0.4074 0.4074 0.4074 ( 1145 PWs) bands (ev): -1.6768 -1.6768 -1.6646 -1.6646 -0.9962 -0.9962 -0.6532 -0.6532 -0.6378 -0.6378 5.8755 5.8755 9.1875 9.1875 10.2356 10.2356 10.5804 10.5804 12.2728 12.2728 13.4872 13.4872 13.7708 13.7708 15.9530 15.9530 k = 0.4136 0.4136 0.4136 ( 1145 PWs) bands (ev): -1.6775 -1.6775 -1.6666 -1.6666 -0.9997 -0.9997 -0.6484 -0.6484 -0.6348 -0.6348 5.9706 5.9706 9.2821 9.2821 10.2739 10.2739 10.6194 10.6194 12.1959 12.1959 13.3598 13.3598 13.6425 13.6425 15.6716 15.6716 k = 0.4198 0.4198 0.4198 ( 1145 PWs) bands (ev): -1.6781 -1.6781 -1.6686 -1.6686 -1.0030 -1.0030 -0.6438 -0.6438 -0.6320 -0.6320 6.0576 6.0576 9.3866 9.3866 10.3144 10.3144 10.6605 10.6605 12.1253 12.1253 13.2364 13.2364 13.5182 13.5182 15.3931 15.3931 k = 0.4259 0.4259 0.4259 ( 1145 PWs) bands (ev): -1.6786 -1.6786 -1.6704 -1.6704 -1.0061 -1.0061 -0.6396 -0.6396 -0.6294 -0.6294 6.1363 6.1363 9.5004 9.5004 10.3571 10.3571 10.7035 10.7035 12.0612 12.0612 13.1173 13.1173 13.3983 13.3983 15.1179 15.1179 k = 0.4321 0.4321 0.4321 ( 1145 PWs) bands (ev): -1.6791 -1.6791 -1.6721 -1.6721 -1.0089 -1.0089 -0.6356 -0.6356 -0.6270 -0.6270 6.2068 6.2068 9.6227 9.6227 10.4021 10.4021 10.7478 10.7478 12.0039 12.0039 13.0029 13.0029 13.2831 13.2831 14.8463 14.8463 k = 0.4383 0.4383 0.4383 ( 1145 PWs) bands (ev): -1.6796 -1.6796 -1.6737 -1.6737 -1.0115 -1.0115 -0.6319 -0.6319 -0.6248 -0.6248 6.2693 6.2693 9.7520 9.7520 10.4494 10.4494 10.7933 10.7933 11.9538 11.9538 12.8934 12.8934 13.1728 13.1728 14.5788 14.5788 k = 0.4444 0.4444 0.4444 ( 1145 PWs) bands (ev): -1.6800 -1.6800 -1.6752 -1.6752 -1.0138 -1.0138 -0.6286 -0.6286 -0.6227 -0.6227 6.3241 6.3241 9.8864 9.8864 10.4997 10.4997 10.8394 10.8394 11.9113 11.9113 12.7894 12.7894 13.0682 13.0682 14.3158 14.3158 k = 0.4506 0.4506 0.4506 ( 1145 PWs) bands (ev): -1.6804 -1.6804 -1.6765 -1.6765 -1.0158 -1.0158 -0.6255 -0.6255 -0.6209 -0.6209 6.3715 6.3715 10.0224 10.0224 10.5541 10.5541 10.8854 10.8854 11.8770 11.8770 12.6913 12.6913 12.9697 12.9697 14.0579 14.0579 k = 0.4568 0.4568 0.4568 ( 1133 PWs) bands (ev): -1.6807 -1.6807 -1.6777 -1.6777 -1.0176 -1.0176 -0.6228 -0.6228 -0.6193 -0.6193 6.4120 6.4120 10.1550 10.1550 10.6149 10.6149 10.9306 10.9306 11.8518 11.8518 12.5997 12.5997 12.8782 12.8782 13.8061 13.8061 k = 0.4630 0.4630 0.4630 ( 1133 PWs) bands (ev): -1.6810 -1.6810 -1.6787 -1.6787 -1.0192 -1.0192 -0.6205 -0.6205 -0.6178 -0.6178 6.4461 6.4461 10.2769 10.2769 10.6858 10.6858 10.9741 10.9741 11.8372 11.8372 12.5154 12.5154 12.7946 12.7946 13.5613 13.5613 k = 0.4691 0.4691 0.4691 ( 1133 PWs) bands (ev): -1.6812 -1.6812 -1.6796 -1.6796 -1.0205 -1.0205 -0.6184 -0.6184 -0.6166 -0.6166 6.4741 6.4741 10.3797 10.3797 10.7702 10.7702 11.0147 11.0147 11.8352 11.8352 12.4391 12.4391 12.7201 12.7201 13.3255 13.3255 k = 0.4753 0.4753 0.4753 ( 1127 PWs) bands (ev): -1.6814 -1.6814 -1.6803 -1.6803 -1.0216 -1.0216 -0.6168 -0.6168 -0.6156 -0.6156 6.4965 6.4965 10.4580 10.4580 10.8667 10.8667 11.0511 11.0511 11.8491 11.8491 12.3712 12.3712 12.6559 12.6559 13.1014 13.1014 k = 0.4815 0.4815 0.4815 ( 1127 PWs) bands (ev): -1.6815 -1.6815 -1.6809 -1.6809 -1.0224 -1.0224 -0.6155 -0.6155 -0.6148 -0.6148 6.5135 6.5135 10.5131 10.5131 10.9647 10.9647 11.0818 11.0818 11.8829 11.8829 12.3115 12.3115 12.6036 12.6036 12.8942 12.8942 k = 0.4877 0.4877 0.4877 ( 1127 PWs) bands (ev): -1.6816 -1.6816 -1.6813 -1.6813 -1.0230 -1.0230 -0.6146 -0.6146 -0.6143 -0.6143 6.5255 6.5255 10.5491 10.5491 11.0489 11.0489 11.1051 11.1051 11.9405 11.9405 12.2568 12.2568 12.5648 12.5648 12.7141 12.7141 k = 0.4938 0.4938 0.4938 ( 1094 PWs) bands (ev): -1.6816 -1.6816 -1.6816 -1.6816 -1.0234 -1.0234 -0.6140 -0.6140 -0.6139 -0.6139 6.5326 6.5326 10.5695 10.5695 11.1052 11.1052 11.1198 11.1198 12.0204 12.0204 12.1976 12.1976 12.5409 12.5409 12.5826 12.5826 k = 0.5000 0.5000 0.5000 ( 1088 PWs) bands (ev): -1.6816 -1.6816 -1.6816 -1.6816 -1.0235 -1.0235 -0.6138 -0.6138 -0.6138 -0.6138 6.5350 6.5350 10.5762 10.5762 11.1249 11.1249 11.1249 11.1249 12.0925 12.0925 12.1378 12.1378 12.5328 12.5328 12.5328 12.5328 k = 0.5000 0.5000 0.5000 ( 1088 PWs) bands (ev): -1.6816 -1.6816 -1.6816 -1.6816 -1.0235 -1.0235 -0.6138 -0.6138 -0.6138 -0.6138 6.5350 6.5350 10.5762 10.5762 11.1249 11.1249 11.1249 11.1249 12.0925 12.0925 12.1378 12.1378 12.5328 12.5328 12.5328 12.5328 k = 0.4924 0.5000 0.4924 ( 1094 PWs) bands (ev): -1.6816 -1.6816 -1.6815 -1.6815 -1.0234 -1.0234 -0.6140 -0.6140 -0.6139 -0.6139 6.5326 6.5326 10.5695 10.5695 11.1043 11.1043 11.1207 11.1207 12.0188 12.0188 12.1992 12.1992 12.5430 12.5430 12.5806 12.5806 k = 0.4848 0.5000 0.4848 ( 1120 PWs) bands (ev): -1.6817 -1.6817 -1.6813 -1.6813 -1.0230 -1.0230 -0.6147 -0.6147 -0.6141 -0.6141 6.5255 6.5255 10.5489 10.5489 11.0457 11.0457 11.1095 11.1095 11.9313 11.9313 12.2640 12.2640 12.5763 12.5763 12.7040 12.7040 k = 0.4773 0.5000 0.4773 ( 1136 PWs) bands (ev): -1.6817 -1.6817 -1.6807 -1.6807 -1.0224 -1.0224 -0.6158 -0.6158 -0.6145 -0.6145 6.5136 6.5136 10.5124 10.5124 10.9570 10.9570 11.0947 11.0947 11.8602 11.8602 12.3192 12.3192 12.6382 12.6382 12.8706 12.8706 k = 0.4697 0.5000 0.4697 ( 1136 PWs) bands (ev): -1.6817 -1.6817 -1.6800 -1.6800 -1.0216 -1.0216 -0.6173 -0.6173 -0.6151 -0.6151 6.4968 6.4968 10.4573 10.4573 10.8493 10.8493 11.0802 11.0802 11.8097 11.8097 12.3646 12.3646 12.7318 12.7318 13.0610 13.0610 k = 0.4621 0.5000 0.4621 ( 1140 PWs) bands (ev): -1.6817 -1.6817 -1.6791 -1.6791 -1.0205 -1.0205 -0.6193 -0.6193 -0.6158 -0.6158 6.4750 6.4750 10.3798 10.3798 10.7359 10.7359 11.0698 11.0698 11.7779 11.7779 12.4022 12.4022 12.8532 12.8532 13.2661 13.2661 k = 0.4545 0.5000 0.4545 ( 1140 PWs) bands (ev): -1.6817 -1.6817 -1.6780 -1.6780 -1.0192 -1.0192 -0.6217 -0.6217 -0.6166 -0.6166 6.4481 6.4481 10.2770 10.2770 10.6287 10.6287 11.0653 11.0653 11.7612 11.7612 12.4358 12.4358 12.9959 12.9959 13.4813 13.4813 k = 0.4470 0.5000 0.4470 ( 1140 PWs) bands (ev): -1.6817 -1.6817 -1.6767 -1.6767 -1.0176 -1.0176 -0.6244 -0.6244 -0.6176 -0.6176 6.4159 6.4159 10.1496 10.1496 10.5347 10.5347 11.0672 11.0672 11.7560 11.7560 12.4687 12.4687 13.1545 13.1545 13.7041 13.7041 k = 0.4394 0.5000 0.4394 ( 1140 PWs) bands (ev): -1.6817 -1.6817 -1.6752 -1.6752 -1.0158 -1.0158 -0.6276 -0.6276 -0.6188 -0.6188 6.3783 6.3783 10.0034 10.0034 10.4545 10.4545 11.0753 11.0753 11.7598 11.7598 12.5026 12.5026 13.3252 13.3252 13.9331 13.9331 k = 0.4318 0.5000 0.4318 ( 1140 PWs) bands (ev): -1.6817 -1.6817 -1.6736 -1.6736 -1.0137 -1.0137 -0.6311 -0.6311 -0.6201 -0.6201 6.3353 6.3353 9.8454 9.8454 10.3860 10.3860 11.0891 11.0891 11.7707 11.7707 12.5386 12.5386 13.5056 13.5056 14.1672 14.1672 k = 0.4242 0.5000 0.4242 ( 1142 PWs) bands (ev): -1.6817 -1.6817 -1.6718 -1.6718 -1.0114 -1.0114 -0.6349 -0.6349 -0.6215 -0.6215 6.2868 6.2868 9.6807 9.6807 10.3273 10.3273 11.1078 11.1078 11.7875 11.7875 12.5773 12.5773 13.6940 13.6940 14.4059 14.4059 k = 0.4167 0.5000 0.4167 ( 1142 PWs) bands (ev): -1.6816 -1.6816 -1.6699 -1.6699 -1.0089 -1.0089 -0.6391 -0.6391 -0.6231 -0.6231 6.2328 6.2328 9.5128 9.5128 10.2779 10.2779 11.1311 11.1311 11.8094 11.8094 12.6189 12.6189 13.8893 13.8893 14.6486 14.6486 k = 0.4091 0.5000 0.4091 ( 1142 PWs) bands (ev): -1.6815 -1.6815 -1.6679 -1.6679 -1.0061 -1.0061 -0.6436 -0.6436 -0.6249 -0.6249 6.1733 6.1733 9.3437 9.3437 10.2374 10.2374 11.1585 11.1585 11.8356 11.8356 12.6638 12.6638 14.0907 14.0907 14.8950 14.8950 k = 0.4015 0.5000 0.4015 ( 1142 PWs) bands (ev): -1.6815 -1.6815 -1.6658 -1.6658 -1.0031 -1.0031 -0.6484 -0.6484 -0.6267 -0.6267 6.1086 6.1086 9.1747 9.1747 10.2057 10.2057 11.1898 11.1898 11.8660 11.8660 12.7120 12.7120 14.2974 14.2974 15.1448 15.1448 k = 0.3939 0.5000 0.3939 ( 1140 PWs) bands (ev): -1.6814 -1.6814 -1.6635 -1.6635 -0.9998 -0.9998 -0.6534 -0.6534 -0.6287 -0.6287 6.0388 6.0388 9.0068 9.0068 10.1831 10.1831 11.2246 11.2246 11.9001 11.9001 12.7636 12.7636 14.5089 14.5089 15.3977 15.3977 k = 0.3864 0.5000 0.3864 ( 1140 PWs) bands (ev): -1.6812 -1.6812 -1.6613 -1.6613 -0.9963 -0.9963 -0.6586 -0.6586 -0.6309 -0.6309 5.9642 5.9642 8.8404 8.8404 10.1692 10.1692 11.2628 11.2628 11.9379 11.9379 12.8185 12.8185 14.7247 14.7247 15.6536 15.6536 k = 0.3788 0.5000 0.3788 ( 1144 PWs) bands (ev): -1.6810 -1.6810 -1.6589 -1.6589 -0.9926 -0.9926 -0.6641 -0.6641 -0.6331 -0.6331 5.8850 5.8850 8.6761 8.6761 10.1642 10.1642 11.3044 11.3044 11.9791 11.9791 12.8769 12.8769 14.9446 14.9446 15.9122 15.9122 k = 0.3712 0.5000 0.3712 ( 1144 PWs) bands (ev): -1.6808 -1.6808 -1.6565 -1.6565 -0.9887 -0.9887 -0.6697 -0.6697 -0.6355 -0.6355 5.8017 5.8017 8.5141 8.5141 10.1679 10.1679 11.3492 11.3492 12.0237 12.0237 12.9387 12.9387 15.1682 15.1682 16.1736 16.1736 k = 0.3636 0.5000 0.3636 ( 1152 PWs) bands (ev): -1.6805 -1.6805 -1.6541 -1.6541 -0.9846 -0.9846 -0.6755 -0.6755 -0.6380 -0.6380 5.7147 5.7147 8.3547 8.3547 10.1800 10.1800 11.3971 11.3971 12.0716 12.0716 13.0039 13.0039 15.3951 15.3951 16.4373 16.4373 k = 0.3561 0.5000 0.3561 ( 1152 PWs) bands (ev): -1.6802 -1.6802 -1.6517 -1.6517 -0.9803 -0.9803 -0.6813 -0.6813 -0.6407 -0.6407 5.6242 5.6242 8.1980 8.1980 10.2002 10.2002 11.4482 11.4482 12.1228 12.1228 13.0725 13.0725 15.6252 15.6252 16.7035 16.7035 k = 0.3485 0.5000 0.3485 ( 1152 PWs) bands (ev): -1.6798 -1.6798 -1.6493 -1.6493 -0.9758 -0.9758 -0.6872 -0.6872 -0.6434 -0.6434 5.5308 5.5308 8.0443 8.0443 10.2283 10.2283 11.5022 11.5022 12.1773 12.1773 13.1444 13.1444 15.8581 15.8581 16.9718 16.9718 k = 0.3409 0.5000 0.3409 ( 1162 PWs) bands (ev): -1.6794 -1.6794 -1.6470 -1.6470 -0.9712 -0.9712 -0.6932 -0.6932 -0.6463 -0.6463 5.4348 5.4348 7.8936 7.8936 10.2641 10.2641 11.5593 11.5593 12.2350 12.2350 13.2196 13.2196 16.0935 16.0935 17.2422 17.2422 k = 0.3333 0.5000 0.3333 ( 1162 PWs) bands (ev): -1.6789 -1.6789 -1.6447 -1.6447 -0.9664 -0.9664 -0.6992 -0.6992 -0.6492 -0.6492 5.3367 5.3367 7.7460 7.7460 10.3070 10.3070 11.6193 11.6193 12.2960 12.2960 13.2981 13.2981 16.3314 16.3314 17.5145 17.5145 k = 0.3258 0.5000 0.3258 ( 1162 PWs) bands (ev): -1.6782 -1.6782 -1.6424 -1.6424 -0.9615 -0.9615 -0.7051 -0.7051 -0.6523 -0.6523 5.2368 5.2368 7.6016 7.6016 10.3570 10.3570 11.6823 11.6823 12.3602 12.3602 13.3799 13.3799 16.5712 16.5712 17.7885 17.7885 k = 0.3182 0.5000 0.3182 ( 1158 PWs) bands (ev): -1.6775 -1.6775 -1.6402 -1.6402 -0.9566 -0.9566 -0.7109 -0.7109 -0.6554 -0.6554 5.1356 5.1356 7.4604 7.4604 10.4136 10.4136 11.7482 11.7482 12.4276 12.4276 13.4648 13.4648 16.8129 16.8129 18.0640 18.0640 k = 0.3106 0.5000 0.3106 ( 1162 PWs) bands (ev): -1.6767 -1.6767 -1.6381 -1.6381 -0.9515 -0.9515 -0.7166 -0.7166 -0.6587 -0.6587 5.0333 5.0333 7.3226 7.3226 10.4765 10.4765 11.8170 11.8170 12.4983 12.4983 13.5529 13.5529 17.0560 17.0560 18.3408 18.3408 k = 0.3030 0.5000 0.3030 ( 1162 PWs) bands (ev): -1.6758 -1.6758 -1.6361 -1.6361 -0.9464 -0.9464 -0.7221 -0.7221 -0.6620 -0.6620 4.9303 4.9303 7.1882 7.1882 10.5455 10.5455 11.8887 11.8887 12.5723 12.5723 13.6442 13.6442 17.3002 17.3002 18.6188 18.6188 k = 0.2955 0.5000 0.2955 ( 1162 PWs) bands (ev): -1.6748 -1.6748 -1.6343 -1.6343 -0.9413 -0.9413 -0.7274 -0.7274 -0.6654 -0.6654 4.8270 4.8270 7.0572 7.0572 10.6202 10.6202 11.9632 11.9632 12.6496 12.6496 13.7384 13.7384 17.5452 17.5452 18.8975 18.8975 k = 0.2879 0.5000 0.2879 ( 1162 PWs) bands (ev): -1.6737 -1.6737 -1.6325 -1.6325 -0.9363 -0.9363 -0.7325 -0.7325 -0.6689 -0.6689 4.7235 4.7235 6.9296 6.9296 10.7005 10.7005 12.0407 12.0407 12.7301 12.7301 13.8357 13.8357 17.7905 17.7905 19.1767 19.1767 k = 0.2803 0.5000 0.2803 ( 1162 PWs) bands (ev): -1.6725 -1.6725 -1.6309 -1.6309 -0.9313 -0.9313 -0.7373 -0.7373 -0.6725 -0.6725 4.6201 4.6201 6.8055 6.8055 10.7861 10.7861 12.1209 12.1209 12.8140 12.8140 13.9360 13.9360 18.0355 18.0355 19.4559 19.4559 k = 0.2727 0.5000 0.2727 ( 1166 PWs) bands (ev): -1.6712 -1.6712 -1.6294 -1.6294 -0.9263 -0.9263 -0.7418 -0.7418 -0.6761 -0.6761 4.5171 4.5171 6.6849 6.6849 10.8768 10.8768 12.2040 12.2040 12.9012 12.9012 14.0392 14.0392 18.2797 18.2797 19.7347 19.7347 k = 0.2652 0.5000 0.2652 ( 1166 PWs) bands (ev): -1.6697 -1.6697 -1.6281 -1.6281 -0.9215 -0.9215 -0.7459 -0.7459 -0.6797 -0.6797 4.4148 4.4148 6.5678 6.5678 10.9724 10.9724 12.2899 12.2899 12.9918 12.9918 14.1452 14.1452 18.5223 18.5223 20.0125 20.0125 k = 0.2576 0.5000 0.2576 ( 1160 PWs) bands (ev): -1.6681 -1.6681 -1.6269 -1.6269 -0.9168 -0.9168 -0.7496 -0.7496 -0.6835 -0.6835 4.3132 4.3132 6.4542 6.4542 11.0726 11.0726 12.3785 12.3785 13.0857 13.0857 14.2540 14.2540 18.7624 18.7624 20.2885 20.2885 k = 0.2500 0.5000 0.2500 ( 1160 PWs) bands (ev): -1.6664 -1.6664 -1.6259 -1.6259 -0.9123 -0.9123 -0.7528 -0.7528 -0.6872 -0.6872 4.2127 4.2127 6.3442 6.3442 11.1773 11.1773 12.4699 12.4699 13.1830 13.1830 14.3655 14.3655 18.9990 18.9990 20.5616 20.5616 k = 0.2424 0.5000 0.2424 ( 1160 PWs) bands (ev): -1.6647 -1.6647 -1.6250 -1.6250 -0.9081 -0.9081 -0.7556 -0.7556 -0.6910 -0.6910 4.1133 4.1133 6.2377 6.2377 11.2864 11.2864 12.5640 12.5640 13.2838 13.2838 14.4797 14.4797 19.2306 19.2306 20.8308 20.8308 k = 0.2348 0.5000 0.2348 ( 1160 PWs) bands (ev): -1.6628 -1.6628 -1.6243 -1.6243 -0.9040 -0.9040 -0.7579 -0.7579 -0.6947 -0.6947 4.0153 4.0153 6.1348 6.1348 11.3996 11.3996 12.6608 12.6608 13.3879 13.3879 14.5965 14.5965 19.4557 19.4557 21.0943 21.0943 k = 0.2273 0.5000 0.2273 ( 1156 PWs) bands (ev): -1.6608 -1.6608 -1.6237 -1.6237 -0.9002 -0.9002 -0.7596 -0.7596 -0.6985 -0.6985 3.9188 3.9188 6.0354 6.0354 11.5168 11.5168 12.7603 12.7603 13.4955 13.4955 14.7158 14.7158 19.6721 19.6721 21.3500 21.3500 k = 0.2197 0.5000 0.2197 ( 1156 PWs) bands (ev): -1.6587 -1.6587 -1.6233 -1.6233 -0.8967 -0.8967 -0.7609 -0.7609 -0.7023 -0.7023 3.8239 3.8239 5.9396 5.9396 11.6380 11.6380 12.8624 12.8624 13.6065 13.6065 14.8376 14.8376 19.8773 19.8773 21.5951 21.5951 k = 0.2121 0.5000 0.2121 ( 1160 PWs) bands (ev): -1.6566 -1.6566 -1.6230 -1.6230 -0.8934 -0.8934 -0.7616 -0.7616 -0.7061 -0.7061 3.7308 3.7308 5.8473 5.8473 11.7628 11.7628 12.9671 12.9671 13.7210 13.7210 14.9617 14.9617 20.0683 20.0683 21.8258 21.8258 k = 0.2045 0.5000 0.2045 ( 1160 PWs) bands (ev): -1.6545 -1.6545 -1.6228 -1.6228 -0.8904 -0.8904 -0.7618 -0.7618 -0.7098 -0.7098 3.6396 3.6396 5.7585 5.7585 11.8912 11.8912 13.0743 13.0743 13.8390 13.8390 15.0882 15.0882 20.2413 20.2413 22.0374 22.0374 k = 0.1970 0.5000 0.1970 ( 1160 PWs) bands (ev): -1.6523 -1.6523 -1.6228 -1.6228 -0.8876 -0.8876 -0.7615 -0.7615 -0.7135 -0.7135 3.5504 3.5504 5.6733 5.6733 12.0232 12.0232 13.1839 13.1839 13.9604 13.9604 15.2168 15.2168 20.3922 20.3922 22.2235 22.2235 k = 0.1894 0.5000 0.1894 ( 1160 PWs) bands (ev): -1.6501 -1.6501 -1.6228 -1.6228 -0.8850 -0.8850 -0.7608 -0.7608 -0.7171 -0.7171 3.4633 3.4633 5.5916 5.5916 12.1584 12.1584 13.2960 13.2960 14.0854 14.0854 15.3475 15.3475 20.5164 20.5164 22.3767 22.3767 k = 0.1818 0.5000 0.1818 ( 1160 PWs) bands (ev): -1.6479 -1.6479 -1.6229 -1.6229 -0.8826 -0.8826 -0.7597 -0.7597 -0.7207 -0.7207 3.3785 3.3785 5.5134 5.5134 12.2969 12.2969 13.4104 13.4104 14.2138 14.2138 15.4802 15.4802 20.6095 20.6095 22.4889 22.4889 k = 0.1742 0.5000 0.1742 ( 1160 PWs) bands (ev): -1.6458 -1.6458 -1.6230 -1.6230 -0.8804 -0.8804 -0.7582 -0.7582 -0.7241 -0.7241 3.2961 3.2961 5.4386 5.4386 12.4384 12.4384 13.5271 13.5271 14.3457 14.3457 15.6147 15.6147 20.6681 20.6681 22.5523 22.5523 k = 0.1667 0.5000 0.1667 ( 1160 PWs) bands (ev): -1.6438 -1.6438 -1.6231 -1.6231 -0.8783 -0.8783 -0.7564 -0.7564 -0.7274 -0.7274 3.2161 3.2161 5.3673 5.3673 12.5829 12.5829 13.6460 13.6460 14.4812 14.4812 15.7510 15.7510 20.6900 20.6900 22.5607 22.5607 k = 0.1591 0.5000 0.1591 ( 1160 PWs) bands (ev): -1.6420 -1.6420 -1.6232 -1.6232 -0.8762 -0.8762 -0.7544 -0.7544 -0.7306 -0.7306 3.1387 3.1387 5.2995 5.2995 12.7302 12.7302 13.7669 13.7669 14.6201 14.6201 15.8888 15.8888 20.6751 20.6751 22.5067 22.5067 k = 0.1515 0.5000 0.1515 ( 1160 PWs) bands (ev): -1.6404 -1.6404 -1.6230 -1.6230 -0.8743 -0.8743 -0.7523 -0.7523 -0.7335 -0.7335 3.0640 3.0640 5.2350 5.2350 12.8801 12.8801 13.8898 13.8898 14.7625 14.7625 16.0281 16.0281 20.6255 20.6255 22.3765 22.3765 k = 0.1439 0.5000 0.1439 ( 1164 PWs) bands (ev): -1.6392 -1.6392 -1.6227 -1.6227 -0.8724 -0.8724 -0.7502 -0.7502 -0.7361 -0.7361 2.9920 2.9920 5.1740 5.1740 13.0324 13.0324 14.0145 14.0145 14.9084 14.9084 16.1686 16.1686 20.5447 20.5447 22.1847 22.1847 k = 0.1364 0.5000 0.1364 ( 1164 PWs) bands (ev): -1.6384 -1.6384 -1.6220 -1.6220 -0.8705 -0.8705 -0.7484 -0.7484 -0.7380 -0.7380 2.9230 2.9230 5.1163 5.1163 13.1870 13.1870 14.1408 14.1408 15.0577 15.0577 16.3101 16.3101 20.4372 20.4372 21.9723 21.9723 k = 0.1288 0.5000 0.1288 ( 1164 PWs) bands (ev): -1.6380 -1.6380 -1.6211 -1.6211 -0.8686 -0.8686 -0.7477 -0.7477 -0.7387 -0.7387 2.8569 2.8569 5.0619 5.0619 13.3436 13.3436 14.2686 14.2686 15.2105 15.2105 16.4523 16.4523 20.3076 20.3076 21.7564 21.7564 k = 0.1212 0.5000 0.1212 ( 1164 PWs) bands (ev): -1.6380 -1.6380 -1.6199 -1.6199 -0.8668 -0.8668 -0.7484 -0.7484 -0.7378 -0.7378 2.7938 2.7938 5.0108 5.0108 13.5021 13.5021 14.3977 14.3977 15.3667 15.3667 16.5950 16.5950 20.1603 20.1603 21.5421 21.5421 k = 0.1136 0.5000 0.1136 ( 1164 PWs) bands (ev): -1.6383 -1.6383 -1.6185 -1.6185 -0.8650 -0.8650 -0.7499 -0.7499 -0.7358 -0.7358 2.7340 2.7340 4.9630 4.9630 13.6619 13.6619 14.5279 14.5279 15.5263 15.5263 16.7378 16.7378 19.9993 19.9993 21.3313 21.3313 k = 0.1061 0.5000 0.1061 ( 1164 PWs) bands (ev): -1.6388 -1.6388 -1.6170 -1.6170 -0.8632 -0.8632 -0.7517 -0.7517 -0.7334 -0.7334 2.6774 2.6774 4.9185 4.9185 13.8229 13.8229 14.6589 14.6589 15.6891 15.6891 16.8802 16.8802 19.8279 19.8279 21.1249 21.1249 k = 0.0985 0.5000 0.0985 ( 1162 PWs) bands (ev): -1.6394 -1.6394 -1.6154 -1.6154 -0.8615 -0.8615 -0.7534 -0.7534 -0.7309 -0.7309 2.6242 2.6242 4.8771 4.8771 13.9845 13.9845 14.7903 14.7903 15.8553 15.8553 17.0218 17.0218 19.6489 19.6489 20.9237 20.9237 k = 0.0909 0.5000 0.0909 ( 1166 PWs) bands (ev): -1.6401 -1.6401 -1.6139 -1.6139 -0.8599 -0.8599 -0.7551 -0.7551 -0.7283 -0.7283 2.5745 2.5745 4.8390 4.8390 14.1461 14.1461 14.9219 14.9219 16.0246 16.0246 17.1620 17.1620 19.4648 19.4648 20.7283 20.7283 k = 0.0833 0.5000 0.0833 ( 1166 PWs) bands (ev): -1.6409 -1.6409 -1.6124 -1.6124 -0.8583 -0.8583 -0.7565 -0.7565 -0.7258 -0.7258 2.5283 2.5283 4.8040 4.8040 14.3070 14.3070 15.0533 15.0533 16.1970 16.1970 17.3000 17.3000 19.2777 19.2777 20.5393 20.5393 k = 0.0758 0.5000 0.0758 ( 1166 PWs) bands (ev): -1.6416 -1.6416 -1.6110 -1.6110 -0.8568 -0.8568 -0.7578 -0.7578 -0.7234 -0.7234 2.4858 2.4858 4.7722 4.7722 14.4662 14.4662 15.1841 15.1841 16.3723 16.3723 17.4349 17.4349 19.0895 19.0895 20.3572 20.3572 k = 0.0682 0.5000 0.0682 ( 1170 PWs) bands (ev): -1.6424 -1.6424 -1.6097 -1.6097 -0.8555 -0.8555 -0.7589 -0.7589 -0.7211 -0.7211 2.4470 2.4470 4.7435 4.7435 14.6225 14.6225 15.3138 15.3138 16.5502 16.5502 17.5655 17.5655 18.9024 18.9024 20.1818 20.1818 k = 0.0606 0.5000 0.0606 ( 1162 PWs) bands (ev): -1.6431 -1.6431 -1.6085 -1.6085 -0.8543 -0.8543 -0.7599 -0.7599 -0.7190 -0.7190 2.4120 2.4120 4.7178 4.7178 14.7743 14.7743 15.4419 15.4419 16.7304 16.7304 17.6901 17.6901 18.7187 18.7187 20.0108 20.0108 k = 0.0530 0.5000 0.0530 ( 1162 PWs) bands (ev): -1.6438 -1.6438 -1.6074 -1.6074 -0.8532 -0.8532 -0.7606 -0.7606 -0.7171 -0.7171 2.3810 2.3810 4.6953 4.6953 14.9193 14.9193 15.5679 15.5679 16.9121 16.9121 17.8065 17.8065 18.5415 18.5415 19.8364 19.8364 k = 0.0455 0.5000 0.0455 ( 1166 PWs) bands (ev): -1.6444 -1.6444 -1.6065 -1.6065 -0.8523 -0.8523 -0.7613 -0.7613 -0.7153 -0.7153 2.3539 2.3539 4.6758 4.6758 15.0552 15.0552 15.6908 15.6908 17.0941 17.0941 17.9102 17.9102 18.3769 18.3769 19.6460 19.6460 k = 0.0379 0.5000 0.0379 ( 1162 PWs) bands (ev): -1.6450 -1.6450 -1.6057 -1.6057 -0.8515 -0.8515 -0.7618 -0.7618 -0.7138 -0.7138 2.3309 2.3309 4.6593 4.6593 15.1786 15.1786 15.8095 15.8095 17.2732 17.2732 17.9879 17.9879 18.2418 18.2418 19.4413 19.4413 k = 0.0303 0.5000 0.0303 ( 1162 PWs) bands (ev): -1.6454 -1.6454 -1.6050 -1.6050 -0.8508 -0.8508 -0.7621 -0.7621 -0.7125 -0.7125 2.3119 2.3119 4.6458 4.6458 15.2862 15.2862 15.9213 15.9213 17.4412 17.4412 17.9921 17.9921 18.1931 18.1931 19.2322 19.2322 k = 0.0227 0.5000 0.0227 ( 1166 PWs) bands (ev): -1.6458 -1.6458 -1.6045 -1.6045 -0.8504 -0.8504 -0.7624 -0.7624 -0.7115 -0.7115 2.2972 2.2972 4.6354 4.6354 15.3743 15.3743 16.0223 16.0223 17.5701 17.5701 17.9521 17.9521 18.2319 18.2319 19.0242 19.0242 k = 0.0152 0.5000 0.0152 ( 1166 PWs) bands (ev): -1.6461 -1.6461 -1.6041 -1.6041 -0.8500 -0.8500 -0.7626 -0.7626 -0.7108 -0.7108 2.2866 2.2866 4.6279 4.6279 15.4397 15.4397 16.1056 16.1056 17.6066 17.6066 17.9979 17.9979 18.2851 18.2851 18.8209 18.8209 k = 0.0076 0.5000 0.0076 ( 1166 PWs) bands (ev): -1.6462 -1.6462 -1.6039 -1.6039 -0.8498 -0.8498 -0.7627 -0.7627 -0.7104 -0.7104 2.2802 2.2802 4.6234 4.6234 15.4801 15.4801 16.1618 16.1618 17.5829 17.5829 18.1062 18.1062 18.3466 18.3466 18.6283 18.6283 k = 0.0000 0.5000-0.0000 ( 1166 PWs) bands (ev): -1.6463 -1.6463 -1.6038 -1.6038 -0.8497 -0.8497 -0.7627 -0.7627 -0.7102 -0.7102 2.2781 2.2781 4.6219 4.6219 15.4937 15.4937 16.1819 16.1819 17.5684 17.5684 18.1613 18.1613 18.4386 18.4386 18.4790 18.4790 k = 0.5000 0.5000-0.0000 ( 1180 PWs) bands (ev): -1.7527 -1.7527 -1.6077 -1.6077 -0.8956 -0.8956 -0.7819 -0.7819 -0.5957 -0.5957 5.3465 5.3465 7.3709 7.3709 7.5036 7.5036 8.9866 8.9866 16.7785 16.7785 20.5543 20.5543 20.7037 20.7037 21.1184 21.1184 k = 0.5000 0.5000 0.0106 ( 1172 PWs) bands (ev): -1.7526 -1.7526 -1.6077 -1.6077 -0.8957 -0.8957 -0.7818 -0.7818 -0.5958 -0.5958 5.3473 5.3473 7.3729 7.3729 7.5056 7.5056 8.9879 8.9879 16.7664 16.7664 20.5335 20.5335 20.6804 20.6804 21.0984 21.0984 k = 0.5000 0.5000 0.0213 ( 1164 PWs) bands (ev): -1.7522 -1.7522 -1.6077 -1.6077 -0.8961 -0.8961 -0.7816 -0.7816 -0.5960 -0.5960 5.3498 5.3498 7.3792 7.3792 7.5119 7.5119 8.9919 8.9919 16.7304 16.7304 20.4726 20.4726 20.6127 20.6127 21.0403 21.0403 k = 0.5000 0.5000 0.0319 ( 1164 PWs) bands (ev): -1.7517 -1.7517 -1.6077 -1.6077 -0.8968 -0.8968 -0.7812 -0.7812 -0.5964 -0.5964 5.3540 5.3540 7.3896 7.3896 7.5222 7.5222 8.9986 8.9986 16.6716 16.6716 20.3755 20.3755 20.5063 20.5063 20.9481 20.9481 k = 0.5000 0.5000 0.0426 ( 1164 PWs) bands (ev): -1.7509 -1.7509 -1.6078 -1.6078 -0.8978 -0.8978 -0.7806 -0.7806 -0.5970 -0.5970 5.3599 5.3599 7.4041 7.4041 7.5367 7.5367 9.0079 9.0079 16.5916 16.5916 20.2478 20.2478 20.3688 20.3688 20.8270 20.8270 k = 0.5000 0.5000 0.0532 ( 1164 PWs) bands (ev): -1.7499 -1.7499 -1.6078 -1.6078 -0.8991 -0.8991 -0.7799 -0.7799 -0.5977 -0.5977 5.3674 5.3674 7.4227 7.4227 7.5553 7.5553 9.0199 9.0199 16.4925 16.4925 20.0954 20.0954 20.2071 20.2071 20.6822 20.6822 k = 0.5000 0.5000 0.0638 ( 1164 PWs) bands (ev): -1.7487 -1.7487 -1.6079 -1.6079 -0.9006 -0.9006 -0.7790 -0.7790 -0.5985 -0.5985 5.3767 5.3767 7.4455 7.4455 7.5781 7.5781 9.0345 9.0345 16.3766 16.3766 19.9239 19.9239 20.0275 20.0275 20.5180 20.5180 k = 0.5000 0.5000 0.0745 ( 1164 PWs) bands (ev): -1.7474 -1.7474 -1.6080 -1.6080 -0.9024 -0.9024 -0.7778 -0.7778 -0.5995 -0.5995 5.3875 5.3875 7.4723 7.4723 7.6049 7.6049 9.0519 9.0519 16.2461 16.2461 19.7377 19.7377 19.8346 19.8346 20.3383 20.3383 k = 0.5000 0.5000 0.0851 ( 1164 PWs) bands (ev): -1.7458 -1.7458 -1.6082 -1.6082 -0.9045 -0.9045 -0.7765 -0.7765 -0.6005 -0.6005 5.4001 5.4001 7.5032 7.5032 7.6357 7.6357 9.0720 9.0720 16.1032 16.1032 19.5407 19.5407 19.6321 19.6321 20.1461 20.1461 k = 0.5000 0.5000 0.0957 ( 1172 PWs) bands (ev): -1.7440 -1.7440 -1.6085 -1.6085 -0.9069 -0.9069 -0.7749 -0.7749 -0.6017 -0.6017 5.4143 5.4143 7.5381 7.5381 7.6707 7.6707 9.0948 9.0948 15.9500 15.9500 19.3357 19.3357 19.4227 19.4227 19.9440 19.9440 k = 0.5000 0.5000 0.1064 ( 1172 PWs) bands (ev): -1.7421 -1.7421 -1.6088 -1.6088 -0.9095 -0.9095 -0.7731 -0.7731 -0.6029 -0.6029 5.4302 5.4302 7.5770 7.5770 7.7096 7.7096 9.1203 9.1203 15.7884 15.7884 19.1248 19.1248 19.2084 19.2084 19.7342 19.7342 k = 0.5000 0.5000 0.1170 ( 1172 PWs) bands (ev): -1.7401 -1.7401 -1.6093 -1.6093 -0.9123 -0.9123 -0.7710 -0.7710 -0.6041 -0.6041 5.4477 5.4477 7.6198 7.6198 7.7525 7.7525 9.1486 9.1486 15.6201 15.6201 18.9098 18.9098 18.9907 18.9907 19.5184 19.5184 k = 0.5000 0.5000 0.1277 ( 1172 PWs) bands (ev): -1.7379 -1.7379 -1.6099 -1.6099 -0.9154 -0.9154 -0.7686 -0.7686 -0.6053 -0.6053 5.4668 5.4668 7.6665 7.6665 7.7993 7.7993 9.1797 9.1797 15.4464 15.4464 18.6918 18.6918 18.7708 18.7708 19.2981 19.2981 k = 0.5000 0.5000 0.1383 ( 1172 PWs) bands (ev): -1.7356 -1.7356 -1.6106 -1.6106 -0.9187 -0.9187 -0.7659 -0.7659 -0.6066 -0.6066 5.4876 5.4876 7.7171 7.7171 7.8500 7.8500 9.2136 9.2136 15.2687 15.2687 18.4719 18.4719 18.5494 18.5494 19.0744 19.0744 k = 0.5000 0.5000 0.1489 ( 1172 PWs) bands (ev): -1.7332 -1.7332 -1.6115 -1.6115 -0.9222 -0.9222 -0.7629 -0.7629 -0.6078 -0.6078 5.5100 5.5100 7.7715 7.7715 7.9046 7.9046 9.2503 9.2503 15.0881 15.0881 18.2509 18.2509 18.3274 18.3274 18.8484 18.8484 k = 0.5000 0.5000 0.1596 ( 1180 PWs) bands (ev): -1.7307 -1.7307 -1.6126 -1.6126 -0.9259 -0.9259 -0.7597 -0.7597 -0.6090 -0.6090 5.5340 5.5340 7.8296 7.8296 7.9630 7.9630 9.2899 9.2899 14.9056 14.9056 18.0292 18.0292 18.1051 18.1051 18.6208 18.6208 k = 0.5000 0.5000 0.1702 ( 1180 PWs) bands (ev): -1.7282 -1.7282 -1.6138 -1.6138 -0.9298 -0.9298 -0.7561 -0.7561 -0.6102 -0.6102 5.5595 5.5595 7.8915 7.8915 8.0252 8.0252 9.3323 9.3323 14.7219 14.7219 17.8076 17.8076 17.8831 17.8831 18.3924 18.3924 k = 0.5000 0.5000 0.1809 ( 1176 PWs) bands (ev): -1.7256 -1.7256 -1.6153 -1.6153 -0.9339 -0.9339 -0.7522 -0.7522 -0.6113 -0.6113 5.5866 5.5866 7.9570 7.9570 8.0911 8.0911 9.3777 9.3777 14.5378 14.5378 17.5862 17.5862 17.6617 17.6617 18.1637 18.1637 k = 0.5000 0.5000 0.1915 ( 1160 PWs) bands (ev): -1.7230 -1.7230 -1.6169 -1.6169 -0.9380 -0.9380 -0.7479 -0.7479 -0.6123 -0.6123 5.6151 5.6151 8.0261 8.0261 8.1607 8.1607 9.4260 9.4260 14.3541 14.3541 17.3654 17.3654 17.4412 17.4412 17.9351 17.9351 k = 0.5000 0.5000 0.2021 ( 1160 PWs) bands (ev): -1.7203 -1.7203 -1.6187 -1.6187 -0.9423 -0.9423 -0.7434 -0.7434 -0.6132 -0.6132 5.6452 5.6452 8.0986 8.0986 8.2339 8.2339 9.4772 9.4772 14.1711 14.1711 17.1455 17.1455 17.2217 17.2217 17.7072 17.7072 k = 0.5000 0.5000 0.2128 ( 1160 PWs) bands (ev): -1.7177 -1.7177 -1.6207 -1.6207 -0.9467 -0.9467 -0.7386 -0.7386 -0.6140 -0.6140 5.6767 5.6767 8.1747 8.1747 8.3107 8.3107 9.5315 9.5315 13.9895 13.9895 16.9267 16.9267 17.0036 17.0036 17.4801 17.4801 k = 0.5000 0.5000 0.2234 ( 1160 PWs) bands (ev): -1.7151 -1.7151 -1.6228 -1.6228 -0.9512 -0.9512 -0.7335 -0.7335 -0.6148 -0.6148 5.7095 5.7095 8.2541 8.2541 8.3910 8.3910 9.5888 9.5888 13.8098 13.8098 16.7093 16.7093 16.7870 16.7870 17.2544 17.2544 k = 0.5000 0.5000 0.2340 ( 1160 PWs) bands (ev): -1.7126 -1.7126 -1.6252 -1.6252 -0.9557 -0.9557 -0.7281 -0.7281 -0.6154 -0.6154 5.7437 5.7437 8.3367 8.3367 8.4748 8.4748 9.6492 9.6492 13.6322 13.6322 16.4932 16.4932 16.5720 16.5720 17.0301 17.0301 k = 0.5000 0.5000 0.2447 ( 1160 PWs) bands (ev): -1.7101 -1.7101 -1.6277 -1.6277 -0.9602 -0.9602 -0.7225 -0.7225 -0.6160 -0.6160 5.7791 5.7791 8.4226 8.4226 8.5620 8.5620 9.7126 9.7126 13.4573 13.4573 16.2788 16.2788 16.3588 16.3588 16.8075 16.8075 k = 0.5000 0.5000 0.2553 ( 1160 PWs) bands (ev): -1.7076 -1.7076 -1.6304 -1.6304 -0.9646 -0.9646 -0.7167 -0.7167 -0.6164 -0.6164 5.8157 5.8157 8.5117 8.5117 8.6526 8.6526 9.7792 9.7792 13.2854 13.2854 16.0661 16.0661 16.1475 16.1475 16.5869 16.5869 k = 0.5000 0.5000 0.2660 ( 1156 PWs) bands (ev): -1.7053 -1.7053 -1.6331 -1.6331 -0.9691 -0.9691 -0.7107 -0.7107 -0.6168 -0.6168 5.8533 5.8533 8.6037 8.6037 8.7464 8.7464 9.8490 9.8490 13.1169 13.1169 15.8552 15.8552 15.9383 15.9383 16.3684 16.3684 k = 0.5000 0.5000 0.2766 ( 1156 PWs) bands (ev): -1.7030 -1.7030 -1.6360 -1.6360 -0.9734 -0.9734 -0.7045 -0.7045 -0.6171 -0.6171 5.8919 5.8919 8.6986 8.6986 8.8435 8.8435 9.9219 9.9219 12.9521 12.9521 15.6463 15.6463 15.7312 15.7312 16.1522 16.1522 k = 0.5000 0.5000 0.2872 ( 1156 PWs) bands (ev): -1.7008 -1.7008 -1.6390 -1.6390 -0.9777 -0.9777 -0.6983 -0.6983 -0.6172 -0.6172 5.9313 5.9313 8.7964 8.7964 8.9437 8.9437 9.9980 9.9980 12.7913 12.7913 15.4395 15.4395 15.5264 15.5264 15.9383 15.9383 k = 0.5000 0.5000 0.2979 ( 1164 PWs) bands (ev): -1.6988 -1.6988 -1.6421 -1.6421 -0.9819 -0.9819 -0.6920 -0.6920 -0.6173 -0.6173 5.9715 5.9715 8.8968 8.8968 9.0470 9.0470 10.0774 10.0774 12.6350 12.6350 15.2347 15.2347 15.3241 15.3241 15.7270 15.7270 k = 0.5000 0.5000 0.3085 ( 1156 PWs) bands (ev): -1.6968 -1.6968 -1.6452 -1.6452 -0.9859 -0.9859 -0.6856 -0.6856 -0.6173 -0.6173 6.0122 6.0122 8.9997 8.9997 9.1532 9.1532 10.1601 10.1601 12.4834 12.4834 15.0323 15.0323 15.1243 15.1243 15.5184 15.5184 k = 0.5000 0.5000 0.3191 ( 1156 PWs) bands (ev): -1.6950 -1.6950 -1.6483 -1.6483 -0.9898 -0.9898 -0.6793 -0.6793 -0.6173 -0.6173 6.0532 6.0532 9.1050 9.1050 9.2624 9.2624 10.2461 10.2461 12.3368 12.3368 14.8321 14.8321 14.9272 14.9272 15.3125 15.3125 k = 0.5000 0.5000 0.3298 ( 1156 PWs) bands (ev): -1.6933 -1.6933 -1.6514 -1.6514 -0.9935 -0.9935 -0.6731 -0.6731 -0.6172 -0.6172 6.0944 6.0944 9.2124 9.2124 9.3744 9.3744 10.3353 10.3353 12.1958 12.1958 14.6345 14.6345 14.7329 14.7329 15.1095 15.1095 k = 0.5000 0.5000 0.3404 ( 1148 PWs) bands (ev): -1.6918 -1.6918 -1.6545 -1.6545 -0.9971 -0.9971 -0.6669 -0.6669 -0.6170 -0.6170 6.1356 6.1356 9.3217 9.3217 9.4891 9.4891 10.4280 10.4280 12.0606 12.0606 14.4393 14.4393 14.5417 14.5417 14.9094 14.9094 k = 0.5000 0.5000 0.3511 ( 1132 PWs) bands (ev): -1.6903 -1.6903 -1.6575 -1.6575 -1.0004 -1.0004 -0.6609 -0.6609 -0.6167 -0.6167 6.1764 6.1764 9.4326 9.4326 9.6064 9.6064 10.5239 10.5239 11.9318 11.9318 14.2469 14.2469 14.3538 14.3538 14.7125 14.7125 k = 0.5000 0.5000 0.3617 ( 1132 PWs) bands (ev): -1.6890 -1.6890 -1.6605 -1.6605 -1.0036 -1.0036 -0.6552 -0.6552 -0.6165 -0.6165 6.2167 6.2167 9.5448 9.5448 9.7261 9.7261 10.6232 10.6232 11.8097 11.8097 14.0572 14.0572 14.1695 14.1695 14.5187 14.5187 k = 0.5000 0.5000 0.3723 ( 1132 PWs) bands (ev): -1.6878 -1.6878 -1.6633 -1.6633 -1.0065 -1.0065 -0.6496 -0.6496 -0.6162 -0.6162 6.2562 6.2562 9.6577 9.6577 9.8480 9.8480 10.7258 10.7258 11.6950 11.6950 13.8706 13.8706 13.9890 13.9890 14.3283 14.3283 k = 0.5000 0.5000 0.3830 ( 1132 PWs) bands (ev): -1.6868 -1.6868 -1.6660 -1.6660 -1.0092 -1.0092 -0.6443 -0.6443 -0.6160 -0.6160 6.2944 6.2944 9.7708 9.7708 9.9719 9.9719 10.8318 10.8318 11.5881 11.5881 13.6871 13.6871 13.8128 13.8128 14.1412 14.1412 k = 0.5000 0.5000 0.3936 ( 1132 PWs) bands (ev): -1.6858 -1.6858 -1.6685 -1.6685 -1.0117 -1.0117 -0.6394 -0.6394 -0.6157 -0.6157 6.3311 6.3311 9.8833 9.8833 10.0974 10.0974 10.9411 10.9411 11.4897 11.4897 13.5072 13.5072 13.6414 13.6414 13.9577 13.9577 k = 0.5000 0.5000 0.4043 ( 1132 PWs) bands (ev): -1.6850 -1.6850 -1.6709 -1.6709 -1.0139 -1.0139 -0.6348 -0.6348 -0.6154 -0.6154 6.3659 6.3659 9.9942 9.9942 10.2243 10.2243 11.0535 11.0535 11.4007 11.4007 13.3311 13.3311 13.4755 13.4755 13.7778 13.7778 k = 0.5000 0.5000 0.4149 ( 1132 PWs) bands (ev): -1.6843 -1.6843 -1.6731 -1.6731 -1.0159 -1.0159 -0.6306 -0.6306 -0.6151 -0.6151 6.3985 6.3985 10.1021 10.1021 10.3519 10.3519 11.1691 11.1691 11.3219 11.3219 13.1594 13.1594 13.3159 13.3159 13.6019 13.6019 k = 0.5000 0.5000 0.4255 ( 1132 PWs) bands (ev): -1.6836 -1.6836 -1.6750 -1.6750 -1.0177 -1.0177 -0.6268 -0.6268 -0.6148 -0.6148 6.4284 6.4284 10.2050 10.2050 10.4794 10.4794 11.2545 11.2545 11.2877 11.2877 12.9927 12.9927 13.1640 13.1640 13.4303 13.4303 k = 0.5000 0.5000 0.4362 ( 1132 PWs) bands (ev): -1.6831 -1.6831 -1.6768 -1.6768 -1.0193 -1.0193 -0.6234 -0.6234 -0.6146 -0.6146 6.4553 6.4553 10.3007 10.3007 10.6056 10.6056 11.1997 11.1997 11.4089 11.4089 12.8322 12.8322 13.0212 13.0212 13.2632 13.2632 k = 0.5000 0.5000 0.4468 ( 1132 PWs) bands (ev): -1.6826 -1.6826 -1.6782 -1.6782 -1.0206 -1.0206 -0.6205 -0.6205 -0.6143 -0.6143 6.4788 6.4788 10.3858 10.3858 10.7288 10.7288 11.1589 11.1589 11.5324 11.5324 12.6793 12.6793 12.8898 12.8898 13.1016 13.1016 k = 0.5000 0.5000 0.4574 ( 1128 PWs) bands (ev): -1.6823 -1.6823 -1.6795 -1.6795 -1.0216 -1.0216 -0.6181 -0.6181 -0.6142 -0.6142 6.4986 6.4986 10.4571 10.4571 10.8461 10.8461 11.1329 11.1329 11.6572 11.6572 12.5365 12.5365 12.7728 12.7728 12.9468 12.9468 k = 0.5000 0.5000 0.4681 ( 1128 PWs) bands (ev): -1.6820 -1.6820 -1.6804 -1.6804 -1.0224 -1.0224 -0.6163 -0.6163 -0.6140 -0.6140 6.5143 6.5143 10.5117 10.5117 10.9529 10.9529 11.1210 11.1210 11.7819 11.7819 12.4072 12.4072 12.6739 12.6739 12.8014 12.8014 k = 0.5000 0.5000 0.4787 ( 1120 PWs) bands (ev): -1.6818 -1.6818 -1.6811 -1.6811 -1.0230 -1.0230 -0.6149 -0.6149 -0.6139 -0.6139 6.5257 6.5257 10.5488 10.5488 11.0419 11.0419 11.1197 11.1197 11.9034 11.9034 12.2956 12.2956 12.5978 12.5978 12.6718 12.6718 k = 0.5000 0.5000 0.4894 ( 1092 PWs) bands (ev): -1.6817 -1.6817 -1.6815 -1.6815 -1.0234 -1.0234 -0.6141 -0.6141 -0.6138 -0.6138 6.5327 6.5327 10.5696 10.5696 11.1028 11.1028 11.1229 11.1229 12.0151 12.0151 12.2035 12.2035 12.5494 12.5494 12.5726 12.5726 k = 0.5000 0.5000 0.5000 ( 1088 PWs) bands (ev): -1.6816 -1.6816 -1.6816 -1.6816 -1.0235 -1.0235 -0.6138 -0.6138 -0.6138 -0.6138 6.5350 6.5350 10.5762 10.5762 11.1249 11.1249 11.1249 11.1249 12.0925 12.0925 12.1378 12.1378 12.5328 12.5328 12.5328 12.5328 Writing output data file InSb.save init_run : 0.12s CPU 0.23s WALL ( 1 calls) electrons : 30.62s CPU 31.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 30.61s CPU 31.49s 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 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 360 calls) cegterg : 28.15s CPU 28.88s WALL ( 360 calls) Called by sum_band: Called by *egterg: h_psi : 13.64s CPU 13.78s WALL ( 5333 calls) s_psi : 0.69s CPU 0.75s WALL ( 5333 calls) g_psi : 0.05s CPU 0.03s WALL ( 4613 calls) cdiaghg : 13.46s CPU 13.80s WALL ( 4973 calls) cegterg:over : 0.84s CPU 0.93s WALL ( 4613 calls) cegterg:upda : 0.59s CPU 0.64s WALL ( 4613 calls) cegterg:last : 0.36s CPU 0.37s WALL ( 1080 calls) cdiaghg:chol : 0.69s CPU 0.70s WALL ( 4973 calls) cdiaghg:inve : 0.26s CPU 0.24s WALL ( 4973 calls) cdiaghg:para : 0.93s CPU 0.91s WALL ( 9946 calls) Called by h_psi: h_psi:vloc : 12.04s CPU 12.06s WALL ( 5333 calls) h_psi:vnl : 1.57s CPU 1.70s WALL ( 5333 calls) add_vuspsi : 0.95s CPU 1.00s WALL ( 5333 calls) General routines calbec : 0.60s CPU 0.69s WALL ( 5333 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.46s CPU 11.49s WALL ( 351780 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.06s WALL ( 720 calls) Parallel routines fft_scatter : 6.63s CPU 6.38s WALL ( 351803 calls) PWSCF : 37.11s CPU 44.49s WALL This run was terminated on: 19:49:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=