Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:48:39 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: ./NbF3.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 38 24 7 1082 534 91 Max 41 25 9 1085 551 94 Sum 1389 877 277 39007 19549 3287 bravais-lattice index = 14 lattice parameter (alat) = 7.4247 a.u. unit-cell volume = 409.3008 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.424733 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 Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 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 1227 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) F 7.00 18.99840 F( 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= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032258 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032258 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032258 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032258 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032258 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032258 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032258 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032258 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032258 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032258 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032258 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032258 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032258 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032258 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032258 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032258 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032258 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032258 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032258 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032258 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032258 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032258 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032258 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032258 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032258 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032258 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032258 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032258 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032258 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032258 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032258 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032258 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032258 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032258 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032258 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032258 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032258 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032258 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032258 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032258 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032258 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032258 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032258 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032258 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032258 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032258 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032258 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032258 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032258 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032258 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032258 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032258 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032258 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032258 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032258 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032258 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032258 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032258 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032258 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032258 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032258 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032258 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032258 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032258 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032258 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032258 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032258 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032258 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032258 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032258 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032258 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0032258 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0032258 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0032258 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0032258 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0032258 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0032258 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0032258 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0032258 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0032258 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0032258 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0032258 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0032258 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0032258 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0032258 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0032258 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0032258 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0032258 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0032258 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032258 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0032258 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0032258 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0032258 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0032258 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0032258 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0032258 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0032258 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0032258 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0032258 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0032258 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0032258 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0032258 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0032258 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0032258 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0032258 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0032258 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0032258 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0032258 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032258 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0032258 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0032258 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0032258 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0032258 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0032258 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0032258 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0032258 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0032258 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0032258 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0032258 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0032258 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0032258 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0032258 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0032258 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0032258 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0032258 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0032258 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 142) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0032258 k( 143) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0032258 k( 144) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0032258 k( 145) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0032258 k( 146) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0032258 k( 147) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0032258 k( 148) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258 k( 149) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0032258 k( 150) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0032258 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0032258 k( 152) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0032258 k( 153) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0032258 k( 154) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0032258 k( 155) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258 k( 156) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0032258 k( 157) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0032258 k( 158) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0032258 k( 159) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0032258 k( 160) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0032258 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0032258 k( 162) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258 k( 163) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0032258 k( 164) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0032258 k( 165) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0032258 k( 166) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0032258 k( 167) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0032258 k( 168) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0032258 k( 169) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258 k( 170) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0032258 k( 171) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0032258 k( 172) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0032258 k( 173) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0032258 k( 174) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0032258 k( 175) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0032258 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 177) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0032258 k( 178) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0032258 k( 179) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0032258 k( 180) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0032258 k( 181) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0032258 k( 182) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0032258 k( 183) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258 k( 184) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0032258 k( 185) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0032258 k( 186) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0032258 k( 187) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0032258 k( 188) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0032258 k( 189) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0032258 k( 190) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258 k( 191) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0032258 k( 192) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0032258 k( 193) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0032258 k( 194) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0032258 k( 195) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0032258 k( 196) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0032258 k( 197) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258 k( 198) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0032258 k( 199) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0032258 k( 200) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0032258 k( 201) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0032258 k( 202) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0032258 k( 203) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0032258 k( 204) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258 k( 205) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0032258 k( 206) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0032258 k( 207) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0032258 k( 208) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0032258 k( 209) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0032258 k( 210) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0032258 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 213) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032258 k( 214) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032258 k( 215) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032258 k( 216) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032258 k( 217) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0032258 k( 218) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032258 k( 219) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032258 k( 220) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032258 k( 221) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032258 k( 222) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032258 k( 223) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032258 k( 224) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032258 k( 225) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032258 k( 226) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032258 k( 227) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0032258 k( 228) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032258 k( 229) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032258 k( 230) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032258 k( 231) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032258 k( 232) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032258 k( 233) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032258 k( 234) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032258 k( 235) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032258 k( 236) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032258 k( 237) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0032258 k( 238) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032258 k( 239) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032258 k( 240) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032258 k( 241) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032258 k( 242) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032258 k( 243) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032258 k( 244) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0032258 k( 245) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032258 k( 246) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032258 k( 247) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032258 k( 248) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032258 k( 249) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032258 k( 250) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032258 k( 251) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032258 k( 252) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032258 k( 253) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032258 k( 254) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0032258 k( 255) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032258 k( 256) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032258 k( 257) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032258 k( 258) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032258 k( 259) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032258 k( 260) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032258 k( 261) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032258 k( 262) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032258 k( 263) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032258 k( 264) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0032258 k( 265) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032258 k( 266) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032258 k( 267) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032258 k( 268) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032258 k( 269) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 270) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 271) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032258 k( 272) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032258 k( 273) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032258 k( 274) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032258 k( 275) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032258 k( 276) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032258 k( 277) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032258 k( 278) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032258 k( 279) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032258 k( 280) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032258 k( 281) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032258 k( 282) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032258 k( 283) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032258 k( 284) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032258 k( 285) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032258 k( 286) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032258 k( 287) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032258 k( 288) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032258 k( 289) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032258 k( 290) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032258 k( 291) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032258 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032258 k( 293) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032258 k( 294) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032258 k( 295) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032258 k( 296) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032258 k( 297) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032258 k( 298) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032258 k( 299) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032258 k( 300) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032258 k( 301) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032258 k( 302) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032258 k( 303) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032258 k( 304) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032258 k( 305) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032258 k( 306) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032258 k( 307) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032258 k( 308) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032258 k( 309) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032258 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032258 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032258 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032258 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032258 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032258 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032258 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032258 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032258 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032258 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032258 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032258 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032258 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032258 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032258 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032258 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032258 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032258 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032258 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032258 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032258 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032258 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032258 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032258 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032258 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032258 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032258 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032258 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032258 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032258 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032258 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032258 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032258 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032258 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032258 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032258 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032258 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032258 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032258 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032258 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032258 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032258 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032258 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032258 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032258 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032258 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032258 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032258 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032258 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032258 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032258 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032258 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032258 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032258 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032258 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032258 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032258 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032258 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032258 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032258 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032258 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032258 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032258 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032258 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032258 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032258 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032258 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032258 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032258 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032258 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032258 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032258 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032258 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032258 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032258 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032258 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032258 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032258 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0032258 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0032258 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0032258 k( 87) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0032258 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0032258 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0032258 k( 90) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0032258 k( 91) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0032258 k( 92) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0032258 k( 93) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0032258 k( 94) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0032258 k( 95) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0032258 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0032258 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0032258 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0032258 k( 99) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0032258 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0032258 k( 101) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0032258 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 103) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0032258 k( 104) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0032258 k( 105) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0032258 k( 106) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0032258 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0032258 k( 108) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0032258 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0032258 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0032258 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0032258 k( 112) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0032258 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0032258 k( 114) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0032258 k( 115) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0032258 k( 116) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0032258 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0032258 k( 118) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0032258 k( 119) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0032258 k( 120) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0032258 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032258 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0032258 k( 123) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0032258 k( 124) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0032258 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0032258 k( 126) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0032258 k( 127) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0032258 k( 128) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0032258 k( 129) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0032258 k( 130) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0032258 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0032258 k( 132) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0032258 k( 133) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0032258 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0032258 k( 135) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0032258 k( 136) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0032258 k( 137) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0032258 k( 138) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0032258 k( 139) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 142) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0032258 k( 143) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0032258 k( 144) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0032258 k( 145) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0032258 k( 146) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0032258 k( 147) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0032258 k( 148) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258 k( 149) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0032258 k( 150) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0032258 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0032258 k( 152) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0032258 k( 153) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0032258 k( 154) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0032258 k( 155) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258 k( 156) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0032258 k( 157) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0032258 k( 158) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0032258 k( 159) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0032258 k( 160) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0032258 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0032258 k( 162) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258 k( 163) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0032258 k( 164) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0032258 k( 165) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0032258 k( 166) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0032258 k( 167) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0032258 k( 168) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0032258 k( 169) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258 k( 170) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0032258 k( 171) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0032258 k( 172) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0032258 k( 173) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0032258 k( 174) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0032258 k( 175) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0032258 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 177) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0032258 k( 178) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0032258 k( 179) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0032258 k( 180) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0032258 k( 181) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0032258 k( 182) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0032258 k( 183) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258 k( 184) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0032258 k( 185) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0032258 k( 186) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0032258 k( 187) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0032258 k( 188) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0032258 k( 189) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0032258 k( 190) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258 k( 191) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0032258 k( 192) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0032258 k( 193) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0032258 k( 194) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0032258 k( 195) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0032258 k( 196) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0032258 k( 197) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258 k( 198) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0032258 k( 199) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0032258 k( 200) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0032258 k( 201) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0032258 k( 202) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0032258 k( 203) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0032258 k( 204) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258 k( 205) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0032258 k( 206) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0032258 k( 207) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0032258 k( 208) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0032258 k( 209) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0032258 k( 210) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0032258 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 213) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032258 k( 214) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032258 k( 215) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032258 k( 216) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032258 k( 217) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0032258 k( 218) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032258 k( 219) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032258 k( 220) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032258 k( 221) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032258 k( 222) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032258 k( 223) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032258 k( 224) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032258 k( 225) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032258 k( 226) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032258 k( 227) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0032258 k( 228) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032258 k( 229) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032258 k( 230) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032258 k( 231) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032258 k( 232) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032258 k( 233) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032258 k( 234) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032258 k( 235) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032258 k( 236) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032258 k( 237) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0032258 k( 238) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032258 k( 239) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032258 k( 240) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032258 k( 241) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032258 k( 242) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032258 k( 243) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032258 k( 244) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0032258 k( 245) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032258 k( 246) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032258 k( 247) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032258 k( 248) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032258 k( 249) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032258 k( 250) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032258 k( 251) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032258 k( 252) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032258 k( 253) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032258 k( 254) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0032258 k( 255) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032258 k( 256) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032258 k( 257) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032258 k( 258) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032258 k( 259) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032258 k( 260) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032258 k( 261) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032258 k( 262) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032258 k( 263) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032258 k( 264) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0032258 k( 265) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032258 k( 266) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032258 k( 267) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032258 k( 268) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032258 k( 269) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 270) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 271) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032258 k( 272) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032258 k( 273) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032258 k( 274) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032258 k( 275) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032258 k( 276) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032258 k( 277) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032258 k( 278) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032258 k( 279) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032258 k( 280) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032258 k( 281) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032258 k( 282) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032258 k( 283) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032258 k( 284) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032258 k( 285) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032258 k( 286) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032258 k( 287) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032258 k( 288) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032258 k( 289) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032258 k( 290) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032258 k( 291) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032258 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032258 k( 293) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032258 k( 294) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032258 k( 295) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032258 k( 296) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032258 k( 297) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032258 k( 298) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032258 k( 299) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032258 k( 300) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032258 k( 301) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032258 k( 302) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032258 k( 303) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032258 k( 304) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032258 k( 305) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032258 k( 306) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032258 k( 307) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032258 k( 308) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032258 k( 309) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032258 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 Dense grid: 39007 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19549 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 148, 42) NL pseudopotentials 0.09 Mb ( 74, 76) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1084) G-vector shells 0.00 Mb ( 268) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 148, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.10 Mb ( 76, 2, 42) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NbF3.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 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 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.5 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.8 secs Computing kpt #: 13 total cpu time spent up to now is 4.0 secs Computing kpt #: 14 total cpu time spent up to now is 4.2 secs Computing kpt #: 15 total cpu time spent up to now is 4.3 secs Computing kpt #: 16 total cpu time spent up to now is 4.5 secs Computing kpt #: 17 total cpu time spent up to now is 4.7 secs Computing kpt #: 18 total cpu time spent up to now is 4.9 secs Computing kpt #: 19 total cpu time spent up to now is 5.0 secs Computing kpt #: 20 total cpu time spent up to now is 5.2 secs Computing kpt #: 21 total cpu time spent up to now is 5.4 secs Computing kpt #: 22 total cpu time spent up to now is 5.5 secs Computing kpt #: 23 total cpu time spent up to now is 5.7 secs Computing kpt #: 24 total cpu time spent up to now is 5.9 secs Computing kpt #: 25 total cpu time spent up to now is 6.1 secs Computing kpt #: 26 total cpu time spent up to now is 6.2 secs Computing kpt #: 27 total cpu time spent up to now is 6.4 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.7 secs Computing kpt #: 30 total cpu time spent up to now is 6.9 secs Computing kpt #: 31 total cpu time spent up to now is 7.1 secs Computing kpt #: 32 total cpu time spent up to now is 7.2 secs Computing kpt #: 33 total cpu time spent up to now is 7.4 secs Computing kpt #: 34 total cpu time spent up to now is 7.6 secs Computing kpt #: 35 total cpu time spent up to now is 7.8 secs Computing kpt #: 36 total cpu time spent up to now is 7.9 secs Computing kpt #: 37 total cpu time spent up to now is 8.1 secs Computing kpt #: 38 total cpu time spent up to now is 8.3 secs Computing kpt #: 39 total cpu time spent up to now is 8.5 secs Computing kpt #: 40 total cpu time spent up to now is 8.6 secs Computing kpt #: 41 total cpu time spent up to now is 8.8 secs Computing kpt #: 42 total cpu time spent up to now is 9.0 secs Computing kpt #: 43 total cpu time spent up to now is 9.2 secs Computing kpt #: 44 total cpu time spent up to now is 9.4 secs Computing kpt #: 45 total cpu time spent up to now is 9.6 secs Computing kpt #: 46 total cpu time spent up to now is 9.8 secs Computing kpt #: 47 total cpu time spent up to now is 10.0 secs Computing kpt #: 48 total cpu time spent up to now is 10.2 secs Computing kpt #: 49 total cpu time spent up to now is 10.4 secs Computing kpt #: 50 total cpu time spent up to now is 10.6 secs Computing kpt #: 51 total cpu time spent up to now is 10.8 secs Computing kpt #: 52 total cpu time spent up to now is 11.0 secs Computing kpt #: 53 total cpu time spent up to now is 11.2 secs Computing kpt #: 54 total cpu time spent up to now is 11.4 secs Computing kpt #: 55 total cpu time spent up to now is 11.6 secs Computing kpt #: 56 total cpu time spent up to now is 11.8 secs Computing kpt #: 57 total cpu time spent up to now is 12.0 secs Computing kpt #: 58 total cpu time spent up to now is 12.1 secs Computing kpt #: 59 total cpu time spent up to now is 12.3 secs Computing kpt #: 60 total cpu time spent up to now is 12.5 secs Computing kpt #: 61 total cpu time spent up to now is 12.7 secs Computing kpt #: 62 total cpu time spent up to now is 12.9 secs Computing kpt #: 63 total cpu time spent up to now is 13.1 secs Computing kpt #: 64 total cpu time spent up to now is 13.2 secs Computing kpt #: 65 total cpu time spent up to now is 13.4 secs Computing kpt #: 66 total cpu time spent up to now is 13.6 secs Computing kpt #: 67 total cpu time spent up to now is 13.8 secs Computing kpt #: 68 total cpu time spent up to now is 14.0 secs Computing kpt #: 69 total cpu time spent up to now is 14.2 secs Computing kpt #: 70 total cpu time spent up to now is 14.4 secs Computing kpt #: 71 total cpu time spent up to now is 14.6 secs Computing kpt #: 72 total cpu time spent up to now is 14.8 secs Computing kpt #: 73 total cpu time spent up to now is 15.0 secs Computing kpt #: 74 total cpu time spent up to now is 15.2 secs Computing kpt #: 75 total cpu time spent up to now is 15.3 secs Computing kpt #: 76 total cpu time spent up to now is 15.5 secs Computing kpt #: 77 total cpu time spent up to now is 15.7 secs Computing kpt #: 78 total cpu time spent up to now is 16.0 secs Computing kpt #: 79 total cpu time spent up to now is 16.2 secs Computing kpt #: 80 total cpu time spent up to now is 16.4 secs Computing kpt #: 81 total cpu time spent up to now is 16.6 secs Computing kpt #: 82 total cpu time spent up to now is 16.8 secs Computing kpt #: 83 total cpu time spent up to now is 17.0 secs Computing kpt #: 84 total cpu time spent up to now is 17.2 secs Computing kpt #: 85 total cpu time spent up to now is 17.4 secs Computing kpt #: 86 total cpu time spent up to now is 17.6 secs Computing kpt #: 87 total cpu time spent up to now is 17.9 secs Computing kpt #: 88 total cpu time spent up to now is 18.1 secs Computing kpt #: 89 total cpu time spent up to now is 18.3 secs Computing kpt #: 90 total cpu time spent up to now is 18.5 secs Computing kpt #: 91 total cpu time spent up to now is 18.7 secs Computing kpt #: 92 total cpu time spent up to now is 18.9 secs Computing kpt #: 93 total cpu time spent up to now is 19.0 secs Computing kpt #: 94 total cpu time spent up to now is 19.2 secs Computing kpt #: 95 total cpu time spent up to now is 19.4 secs Computing kpt #: 96 total cpu time spent up to now is 19.6 secs Computing kpt #: 97 total cpu time spent up to now is 19.8 secs Computing kpt #: 98 total cpu time spent up to now is 19.9 secs Computing kpt #: 99 total cpu time spent up to now is 20.1 secs Computing kpt #: 100 total cpu time spent up to now is 20.3 secs Computing kpt #: 101 total cpu time spent up to now is 20.4 secs Computing kpt #: 102 total cpu time spent up to now is 20.6 secs Computing kpt #: 103 total cpu time spent up to now is 20.8 secs Computing kpt #: 104 total cpu time spent up to now is 20.9 secs Computing kpt #: 105 total cpu time spent up to now is 21.1 secs Computing kpt #: 106 total cpu time spent up to now is 21.3 secs Computing kpt #: 107 total cpu time spent up to now is 21.4 secs Computing kpt #: 108 total cpu time spent up to now is 21.6 secs Computing kpt #: 109 total cpu time spent up to now is 21.8 secs Computing kpt #: 110 total cpu time spent up to now is 21.9 secs Computing kpt #: 111 total cpu time spent up to now is 22.1 secs Computing kpt #: 112 total cpu time spent up to now is 22.2 secs Computing kpt #: 113 total cpu time spent up to now is 22.4 secs Computing kpt #: 114 total cpu time spent up to now is 22.6 secs Computing kpt #: 115 total cpu time spent up to now is 22.8 secs Computing kpt #: 116 total cpu time spent up to now is 22.9 secs Computing kpt #: 117 total cpu time spent up to now is 23.1 secs Computing kpt #: 118 total cpu time spent up to now is 23.3 secs Computing kpt #: 119 total cpu time spent up to now is 23.4 secs Computing kpt #: 120 total cpu time spent up to now is 23.6 secs Computing kpt #: 121 total cpu time spent up to now is 23.8 secs Computing kpt #: 122 total cpu time spent up to now is 24.0 secs Computing kpt #: 123 total cpu time spent up to now is 24.2 secs Computing kpt #: 124 total cpu time spent up to now is 24.4 secs Computing kpt #: 125 total cpu time spent up to now is 24.5 secs Computing kpt #: 126 total cpu time spent up to now is 24.7 secs Computing kpt #: 127 total cpu time spent up to now is 24.9 secs Computing kpt #: 128 total cpu time spent up to now is 25.1 secs Computing kpt #: 129 total cpu time spent up to now is 25.3 secs Computing kpt #: 130 total cpu time spent up to now is 25.5 secs Computing kpt #: 131 total cpu time spent up to now is 25.7 secs Computing kpt #: 132 total cpu time spent up to now is 25.9 secs Computing kpt #: 133 total cpu time spent up to now is 26.1 secs Computing kpt #: 134 total cpu time spent up to now is 26.3 secs Computing kpt #: 135 total cpu time spent up to now is 26.5 secs Computing kpt #: 136 total cpu time spent up to now is 26.7 secs Computing kpt #: 137 total cpu time spent up to now is 26.9 secs Computing kpt #: 138 total cpu time spent up to now is 27.1 secs Computing kpt #: 139 total cpu time spent up to now is 27.3 secs Computing kpt #: 140 total cpu time spent up to now is 27.4 secs Computing kpt #: 141 total cpu time spent up to now is 27.6 secs Computing kpt #: 142 total cpu time spent up to now is 27.7 secs Computing kpt #: 143 total cpu time spent up to now is 27.9 secs Computing kpt #: 144 total cpu time spent up to now is 28.0 secs Computing kpt #: 145 total cpu time spent up to now is 28.2 secs Computing kpt #: 146 total cpu time spent up to now is 28.4 secs Computing kpt #: 147 total cpu time spent up to now is 28.6 secs Computing kpt #: 148 total cpu time spent up to now is 28.7 secs Computing kpt #: 149 total cpu time spent up to now is 28.9 secs Computing kpt #: 150 total cpu time spent up to now is 29.1 secs Computing kpt #: 151 total cpu time spent up to now is 29.2 secs Computing kpt #: 152 total cpu time spent up to now is 29.4 secs Computing kpt #: 153 total cpu time spent up to now is 29.6 secs Computing kpt #: 154 total cpu time spent up to now is 29.8 secs Computing kpt #: 155 total cpu time spent up to now is 30.0 secs Computing kpt #: 156 total cpu time spent up to now is 30.2 secs Computing kpt #: 157 total cpu time spent up to now is 30.5 secs Computing kpt #: 158 total cpu time spent up to now is 30.7 secs Computing kpt #: 159 total cpu time spent up to now is 30.9 secs Computing kpt #: 160 total cpu time spent up to now is 31.1 secs Computing kpt #: 161 total cpu time spent up to now is 31.3 secs Computing kpt #: 162 total cpu time spent up to now is 31.5 secs Computing kpt #: 163 total cpu time spent up to now is 31.7 secs Computing kpt #: 164 total cpu time spent up to now is 31.9 secs Computing kpt #: 165 total cpu time spent up to now is 32.1 secs Computing kpt #: 166 total cpu time spent up to now is 32.3 secs Computing kpt #: 167 total cpu time spent up to now is 32.5 secs Computing kpt #: 168 total cpu time spent up to now is 32.8 secs Computing kpt #: 169 total cpu time spent up to now is 33.0 secs Computing kpt #: 170 total cpu time spent up to now is 33.2 secs Computing kpt #: 171 total cpu time spent up to now is 33.4 secs Computing kpt #: 172 total cpu time spent up to now is 33.6 secs Computing kpt #: 173 total cpu time spent up to now is 33.8 secs Computing kpt #: 174 total cpu time spent up to now is 34.0 secs Computing kpt #: 175 total cpu time spent up to now is 34.3 secs Computing kpt #: 176 total cpu time spent up to now is 34.5 secs Computing kpt #: 177 total cpu time spent up to now is 34.7 secs Computing kpt #: 178 total cpu time spent up to now is 34.9 secs Computing kpt #: 179 total cpu time spent up to now is 35.2 secs Computing kpt #: 180 total cpu time spent up to now is 35.4 secs Computing kpt #: 181 total cpu time spent up to now is 35.7 secs Computing kpt #: 182 total cpu time spent up to now is 35.9 secs Computing kpt #: 183 total cpu time spent up to now is 36.1 secs Computing kpt #: 184 total cpu time spent up to now is 36.3 secs Computing kpt #: 185 total cpu time spent up to now is 36.5 secs Computing kpt #: 186 total cpu time spent up to now is 36.7 secs Computing kpt #: 187 total cpu time spent up to now is 37.0 secs Computing kpt #: 188 total cpu time spent up to now is 37.2 secs Computing kpt #: 189 total cpu time spent up to now is 37.4 secs Computing kpt #: 190 total cpu time spent up to now is 37.6 secs Computing kpt #: 191 total cpu time spent up to now is 37.9 secs Computing kpt #: 192 total cpu time spent up to now is 38.1 secs Computing kpt #: 193 total cpu time spent up to now is 38.4 secs Computing kpt #: 194 total cpu time spent up to now is 38.6 secs Computing kpt #: 195 total cpu time spent up to now is 38.8 secs Computing kpt #: 196 total cpu time spent up to now is 39.1 secs Computing kpt #: 197 total cpu time spent up to now is 39.3 secs Computing kpt #: 198 total cpu time spent up to now is 39.6 secs Computing kpt #: 199 total cpu time spent up to now is 39.8 secs Computing kpt #: 200 total cpu time spent up to now is 40.0 secs Computing kpt #: 201 total cpu time spent up to now is 40.2 secs Computing kpt #: 202 total cpu time spent up to now is 40.4 secs Computing kpt #: 203 total cpu time spent up to now is 40.6 secs Computing kpt #: 204 total cpu time spent up to now is 40.8 secs Computing kpt #: 205 total cpu time spent up to now is 41.0 secs Computing kpt #: 206 total cpu time spent up to now is 41.2 secs Computing kpt #: 207 total cpu time spent up to now is 41.3 secs Computing kpt #: 208 total cpu time spent up to now is 41.5 secs Computing kpt #: 209 total cpu time spent up to now is 41.7 secs Computing kpt #: 210 total cpu time spent up to now is 41.9 secs Computing kpt #: 211 total cpu time spent up to now is 42.0 secs Computing kpt #: 212 total cpu time spent up to now is 42.2 secs Computing kpt #: 213 total cpu time spent up to now is 42.4 secs Computing kpt #: 214 total cpu time spent up to now is 42.5 secs Computing kpt #: 215 total cpu time spent up to now is 42.7 secs Computing kpt #: 216 total cpu time spent up to now is 42.9 secs Computing kpt #: 217 total cpu time spent up to now is 43.1 secs Computing kpt #: 218 total cpu time spent up to now is 43.3 secs Computing kpt #: 219 total cpu time spent up to now is 43.5 secs Computing kpt #: 220 total cpu time spent up to now is 43.7 secs Computing kpt #: 221 total cpu time spent up to now is 43.9 secs Computing kpt #: 222 total cpu time spent up to now is 44.0 secs Computing kpt #: 223 total cpu time spent up to now is 44.3 secs Computing kpt #: 224 total cpu time spent up to now is 44.5 secs Computing kpt #: 225 total cpu time spent up to now is 44.7 secs Computing kpt #: 226 total cpu time spent up to now is 44.9 secs Computing kpt #: 227 total cpu time spent up to now is 45.1 secs Computing kpt #: 228 total cpu time spent up to now is 45.3 secs Computing kpt #: 229 total cpu time spent up to now is 45.5 secs Computing kpt #: 230 total cpu time spent up to now is 45.7 secs Computing kpt #: 231 total cpu time spent up to now is 45.9 secs Computing kpt #: 232 total cpu time spent up to now is 46.1 secs Computing kpt #: 233 total cpu time spent up to now is 46.3 secs Computing kpt #: 234 total cpu time spent up to now is 46.5 secs Computing kpt #: 235 total cpu time spent up to now is 46.7 secs Computing kpt #: 236 total cpu time spent up to now is 46.9 secs Computing kpt #: 237 total cpu time spent up to now is 47.1 secs Computing kpt #: 238 total cpu time spent up to now is 47.3 secs Computing kpt #: 239 total cpu time spent up to now is 47.5 secs Computing kpt #: 240 total cpu time spent up to now is 47.7 secs Computing kpt #: 241 total cpu time spent up to now is 47.9 secs Computing kpt #: 242 total cpu time spent up to now is 48.1 secs Computing kpt #: 243 total cpu time spent up to now is 48.3 secs Computing kpt #: 244 total cpu time spent up to now is 48.5 secs Computing kpt #: 245 total cpu time spent up to now is 48.7 secs Computing kpt #: 246 total cpu time spent up to now is 48.9 secs Computing kpt #: 247 total cpu time spent up to now is 49.1 secs Computing kpt #: 248 total cpu time spent up to now is 49.3 secs Computing kpt #: 249 total cpu time spent up to now is 49.5 secs Computing kpt #: 250 total cpu time spent up to now is 49.7 secs Computing kpt #: 251 total cpu time spent up to now is 49.9 secs Computing kpt #: 252 total cpu time spent up to now is 50.1 secs Computing kpt #: 253 total cpu time spent up to now is 50.3 secs Computing kpt #: 254 total cpu time spent up to now is 50.5 secs Computing kpt #: 255 total cpu time spent up to now is 50.7 secs Computing kpt #: 256 total cpu time spent up to now is 50.9 secs Computing kpt #: 257 total cpu time spent up to now is 51.1 secs Computing kpt #: 258 total cpu time spent up to now is 51.3 secs Computing kpt #: 259 total cpu time spent up to now is 51.5 secs Computing kpt #: 260 total cpu time spent up to now is 51.7 secs Computing kpt #: 261 total cpu time spent up to now is 51.9 secs Computing kpt #: 262 total cpu time spent up to now is 52.1 secs Computing kpt #: 263 total cpu time spent up to now is 52.3 secs Computing kpt #: 264 total cpu time spent up to now is 52.5 secs Computing kpt #: 265 total cpu time spent up to now is 52.7 secs Computing kpt #: 266 total cpu time spent up to now is 52.9 secs Computing kpt #: 267 total cpu time spent up to now is 53.2 secs Computing kpt #: 268 total cpu time spent up to now is 53.4 secs Computing kpt #: 269 total cpu time spent up to now is 53.6 secs Computing kpt #: 270 total cpu time spent up to now is 53.8 secs Computing kpt #: 271 total cpu time spent up to now is 53.9 secs Computing kpt #: 272 total cpu time spent up to now is 54.1 secs Computing kpt #: 273 total cpu time spent up to now is 54.3 secs Computing kpt #: 274 total cpu time spent up to now is 54.5 secs Computing kpt #: 275 total cpu time spent up to now is 54.7 secs Computing kpt #: 276 total cpu time spent up to now is 54.8 secs Computing kpt #: 277 total cpu time spent up to now is 55.0 secs Computing kpt #: 278 total cpu time spent up to now is 55.2 secs Computing kpt #: 279 total cpu time spent up to now is 55.4 secs Computing kpt #: 280 total cpu time spent up to now is 55.6 secs Computing kpt #: 281 total cpu time spent up to now is 55.8 secs Computing kpt #: 282 total cpu time spent up to now is 56.0 secs Computing kpt #: 283 total cpu time spent up to now is 56.1 secs Computing kpt #: 284 total cpu time spent up to now is 56.3 secs Computing kpt #: 285 total cpu time spent up to now is 56.5 secs Computing kpt #: 286 total cpu time spent up to now is 56.7 secs Computing kpt #: 287 total cpu time spent up to now is 56.9 secs Computing kpt #: 288 total cpu time spent up to now is 57.1 secs Computing kpt #: 289 total cpu time spent up to now is 57.3 secs Computing kpt #: 290 total cpu time spent up to now is 57.5 secs Computing kpt #: 291 total cpu time spent up to now is 57.7 secs Computing kpt #: 292 total cpu time spent up to now is 57.9 secs Computing kpt #: 293 total cpu time spent up to now is 58.0 secs Computing kpt #: 294 total cpu time spent up to now is 58.2 secs Computing kpt #: 295 total cpu time spent up to now is 58.4 secs Computing kpt #: 296 total cpu time spent up to now is 58.6 secs Computing kpt #: 297 total cpu time spent up to now is 58.8 secs Computing kpt #: 298 total cpu time spent up to now is 59.0 secs Computing kpt #: 299 total cpu time spent up to now is 59.2 secs Computing kpt #: 300 total cpu time spent up to now is 59.4 secs Computing kpt #: 301 total cpu time spent up to now is 59.6 secs Computing kpt #: 302 total cpu time spent up to now is 59.8 secs Computing kpt #: 303 total cpu time spent up to now is 60.0 secs Computing kpt #: 304 total cpu time spent up to now is 60.1 secs Computing kpt #: 305 total cpu time spent up to now is 60.3 secs Computing kpt #: 306 total cpu time spent up to now is 60.5 secs Computing kpt #: 307 total cpu time spent up to now is 60.7 secs Computing kpt #: 308 total cpu time spent up to now is 60.8 secs Computing kpt #: 309 total cpu time spent up to now is 61.0 secs Computing kpt #: 310 total cpu time spent up to now is 61.2 secs ethr = 2.94E-08, avg # of iterations = 17.2 total cpu time spent up to now is 61.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2469 PWs) bands (ev): -47.8465 -47.8465 -25.6303 -25.6303 -23.6003 -23.6003 -23.6003 -23.6003 -18.8366 -18.8366 -18.7255 -18.7255 -18.7255 -18.7255 -0.1816 -0.1816 -0.0066 -0.0066 -0.0066 -0.0066 0.6638 0.6638 0.6877 0.6877 0.6877 0.6877 0.7175 0.7175 0.7678 0.7678 0.7678 0.7678 7.8790 7.8790 7.8790 7.8790 7.9907 7.9907 9.5701 9.5701 11.0982 11.0982 k = 0.0000 0.0125-0.0000 ( 2469 PWs) bands (ev): -47.8465 -47.8465 -25.6305 -25.6305 -23.6012 -23.6012 -23.6003 -23.6003 -18.8358 -18.8358 -18.7255 -18.7255 -18.7240 -18.7240 -0.1823 -0.1823 -0.0080 -0.0080 -0.0066 -0.0066 0.6626 0.6626 0.6871 0.6871 0.6873 0.6873 0.7170 0.7170 0.7653 0.7653 0.7675 0.7675 7.8798 7.8798 7.8813 7.8813 7.9923 7.9923 9.5724 9.5724 11.0983 11.0983 k = 0.0000 0.0250-0.0000 ( 2485 PWs) bands (ev): -47.8467 -47.8467 -25.6313 -25.6313 -23.6040 -23.6040 -23.6003 -23.6003 -18.8335 -18.8335 -18.7254 -18.7254 -18.7194 -18.7194 -0.1846 -0.1846 -0.0122 -0.0122 -0.0066 -0.0066 0.6587 0.6587 0.6854 0.6854 0.6860 0.6860 0.7154 0.7154 0.7584 0.7584 0.7667 0.7667 7.8821 7.8821 7.8879 7.8879 7.9969 7.9969 9.5794 9.5794 11.0986 11.0986 k = 0.0000 0.0375-0.0000 ( 2493 PWs) bands (ev): -47.8468 -47.8468 -25.6326 -25.6326 -23.6086 -23.6086 -23.6003 -23.6003 -18.8301 -18.8301 -18.7254 -18.7254 -18.7115 -18.7115 -0.1887 -0.1887 -0.0189 -0.0189 -0.0067 -0.0067 0.6515 0.6515 0.6828 0.6828 0.6837 0.6837 0.7129 0.7129 0.7477 0.7477 0.7656 0.7656 7.8855 7.8855 7.8989 7.8989 8.0050 8.0050 9.5910 9.5910 11.0992 11.0992 k = 0.0000 0.0500-0.0000 ( 2493 PWs) bands (ev): -47.8467 -47.8467 -25.6343 -25.6343 -23.6148 -23.6148 -23.6002 -23.6002 -18.8261 -18.8261 -18.7254 -18.7254 -18.6997 -18.6997 -0.1952 -0.1952 -0.0280 -0.0280 -0.0067 -0.0067 0.6403 0.6403 0.6791 0.6791 0.6802 0.6802 0.7095 0.7095 0.7348 0.7348 0.7643 0.7643 7.8898 7.8898 7.9143 7.9143 8.0170 8.0170 9.6071 9.6071 11.0999 11.0999 k = 0.0000 0.0625-0.0000 ( 2477 PWs) bands (ev): -47.8464 -47.8464 -25.6364 -25.6364 -23.6227 -23.6227 -23.6000 -23.6000 -18.8219 -18.8219 -18.7253 -18.7253 -18.6837 -18.6837 -0.2049 -0.2049 -0.0388 -0.0388 -0.0067 -0.0067 0.6242 0.6242 0.6735 0.6735 0.6753 0.6753 0.7055 0.7055 0.7220 0.7220 0.7629 0.7629 7.8944 7.8944 7.9340 7.9340 8.0330 8.0330 9.6276 9.6276 11.1009 11.1009 k = 0.0000 0.0750-0.0000 ( 2477 PWs) bands (ev): -47.8462 -47.8462 -25.6391 -25.6391 -23.6322 -23.6322 -23.5999 -23.5999 -18.8180 -18.8180 -18.7252 -18.7252 -18.6633 -18.6633 -0.2190 -0.2190 -0.0507 -0.0507 -0.0067 -0.0067 0.6031 0.6031 0.6649 0.6649 0.6686 0.6686 0.7010 0.7010 0.7116 0.7116 0.7616 0.7616 7.8990 7.8990 7.9578 7.9578 8.0534 8.0534 9.6524 9.6524 11.1021 11.1021 k = 0.0000 0.0875-0.0000 ( 2477 PWs) bands (ev): -47.8461 -47.8461 -25.6422 -25.6422 -23.6432 -23.6432 -23.5998 -23.5998 -18.8146 -18.8146 -18.7250 -18.7250 -18.6385 -18.6385 -0.2391 -0.2391 -0.0626 -0.0626 -0.0067 -0.0067 0.5774 0.5774 0.6529 0.6529 0.6598 0.6598 0.6963 0.6963 0.7048 0.7048 0.7604 0.7604 7.9033 7.9033 7.9854 7.9854 8.0781 8.0781 9.6814 9.6814 11.1035 11.1035 k = 0.0000 0.1000-0.0000 ( 2477 PWs) bands (ev): -47.8460 -47.8460 -25.6457 -25.6457 -23.6555 -23.6555 -23.5996 -23.5996 -18.8116 -18.8116 -18.7249 -18.7249 -18.6094 -18.6094 -0.2666 -0.2666 -0.0735 -0.0735 -0.0067 -0.0067 0.5481 0.5481 0.6382 0.6382 0.6488 0.6488 0.6918 0.6918 0.7007 0.7007 0.7595 0.7595 7.9074 7.9074 8.0169 8.0169 8.1071 8.1071 9.7143 9.7143 11.1051 11.1051 k = 0.0000 0.1125-0.0000 ( 2469 PWs) bands (ev): -47.8457 -47.8457 -25.6497 -25.6497 -23.6690 -23.6690 -23.5993 -23.5993 -18.8091 -18.8091 -18.7247 -18.7247 -18.5762 -18.5762 -0.3026 -0.3026 -0.0827 -0.0827 -0.0068 -0.0068 0.5168 0.5168 0.6217 0.6217 0.6359 0.6359 0.6873 0.6873 0.6984 0.6984 0.7587 0.7587 7.9112 7.9112 8.0519 8.0519 8.1402 8.1402 9.7512 9.7512 11.1070 11.1070 k = 0.0000 0.1250-0.0000 ( 2465 PWs) bands (ev): -47.8455 -47.8455 -25.6541 -25.6541 -23.6835 -23.6835 -23.5991 -23.5991 -18.8071 -18.8071 -18.7246 -18.7246 -18.5393 -18.5393 -0.3475 -0.3475 -0.0899 -0.0899 -0.0068 -0.0068 0.4848 0.4848 0.6039 0.6039 0.6211 0.6211 0.6828 0.6828 0.6970 0.6970 0.7582 0.7582 7.9147 7.9147 8.0903 8.0903 8.1770 8.1770 9.7917 9.7917 11.1089 11.1089 k = 0.0000 0.1375-0.0000 ( 2465 PWs) bands (ev): -47.8453 -47.8453 -25.6589 -25.6589 -23.6990 -23.6990 -23.5989 -23.5989 -18.8053 -18.8053 -18.7244 -18.7244 -18.4991 -18.4991 -0.4013 -0.4013 -0.0954 -0.0954 -0.0069 -0.0069 0.4530 0.4530 0.5849 0.5849 0.6048 0.6048 0.6782 0.6782 0.6961 0.6961 0.7577 0.7577 7.9180 7.9180 8.1318 8.1318 8.2172 8.2172 9.8359 9.8359 11.1110 11.1110 k = 0.0000 0.1500-0.0000 ( 2465 PWs) bands (ev): -47.8451 -47.8451 -25.6641 -25.6641 -23.7153 -23.7153 -23.5986 -23.5986 -18.8039 -18.8039 -18.7242 -18.7242 -18.4558 -18.4558 -0.4634 -0.4634 -0.0995 -0.0995 -0.0070 -0.0070 0.4224 0.4224 0.5650 0.5650 0.5872 0.5872 0.6735 0.6735 0.6957 0.6957 0.7574 0.7574 7.9213 7.9213 8.1762 8.1762 8.2606 8.2606 9.8835 9.8835 11.1132 11.1132 k = 0.0000 0.1625-0.0000 ( 2465 PWs) bands (ev): -47.8449 -47.8449 -25.6696 -25.6696 -23.7321 -23.7321 -23.5983 -23.5983 -18.8026 -18.8026 -18.7240 -18.7240 -18.4098 -18.4098 -0.5331 -0.5331 -0.1024 -0.1024 -0.0072 -0.0072 0.3933 0.3933 0.5442 0.5442 0.5684 0.5684 0.6688 0.6688 0.6954 0.6954 0.7572 0.7572 7.9244 7.9244 8.2231 8.2231 8.3068 8.3068 9.9345 9.9345 11.1155 11.1155 k = 0.0000 0.1750-0.0000 ( 2465 PWs) bands (ev): -47.8447 -47.8447 -25.6754 -25.6754 -23.7494 -23.7494 -23.5981 -23.5981 -18.8015 -18.8015 -18.7238 -18.7238 -18.3615 -18.3615 -0.6095 -0.6095 -0.1045 -0.1045 -0.0074 -0.0074 0.3660 0.3660 0.5226 0.5226 0.5488 0.5488 0.6639 0.6639 0.6953 0.6953 0.7571 0.7571 7.9274 7.9274 8.2723 8.2723 8.3554 8.3554 9.9888 9.9888 11.1180 11.1180 k = 0.0000 0.1875-0.0000 ( 2469 PWs) bands (ev): -47.8445 -47.8445 -25.6815 -25.6815 -23.7671 -23.7671 -23.5978 -23.5978 -18.8005 -18.8005 -18.7236 -18.7236 -18.3112 -18.3112 -0.6915 -0.6915 -0.1059 -0.1059 -0.0077 -0.0077 0.3406 0.3406 0.5005 0.5005 0.5284 0.5284 0.6589 0.6589 0.6952 0.6952 0.7571 0.7571 7.9304 7.9304 8.3234 8.3234 8.4062 8.4062 10.0461 10.0461 11.1205 11.1205 k = 0.0000 0.2000-0.0000 ( 2449 PWs) bands (ev): -47.8439 -47.8439 -25.6879 -25.6879 -23.7849 -23.7849 -23.5974 -23.5974 -18.7996 -18.7996 -18.7233 -18.7233 -18.2592 -18.2592 -0.7783 -0.7783 -0.1068 -0.1068 -0.0079 -0.0079 0.3169 0.3169 0.4779 0.4779 0.5076 0.5076 0.6538 0.6538 0.6953 0.6953 0.7571 0.7571 7.9335 7.9335 8.3763 8.3763 8.4588 8.4588 10.1066 10.1066 11.1232 11.1232 k = 0.0000 0.2125-0.0000 ( 2453 PWs) bands (ev): -47.8438 -47.8438 -25.6945 -25.6945 -23.8028 -23.8028 -23.5971 -23.5971 -18.7988 -18.7988 -18.7231 -18.7231 -18.2059 -18.2059 -0.8688 -0.8688 -0.1072 -0.1072 -0.0083 -0.0083 0.2949 0.2949 0.4550 0.4550 0.4864 0.4864 0.6486 0.6486 0.6954 0.6954 0.7572 0.7572 7.9364 7.9364 8.4306 8.4306 8.5129 8.5129 10.1700 10.1700 11.1259 11.1259 k = 0.0000 0.2250-0.0000 ( 2445 PWs) bands (ev): -47.8434 -47.8434 -25.7013 -25.7013 -23.8206 -23.8206 -23.5968 -23.5968 -18.7981 -18.7981 -18.7228 -18.7228 -18.1516 -18.1516 -0.9621 -0.9621 -0.1074 -0.1074 -0.0088 -0.0088 0.2743 0.2743 0.4318 0.4318 0.4650 0.4650 0.6434 0.6434 0.6956 0.6956 0.7574 0.7574 7.9395 7.9395 8.4859 8.4859 8.5681 8.5681 10.2362 10.2362 11.1286 11.1286 k = 0.0000 0.2375-0.0000 ( 2441 PWs) bands (ev): -47.8431 -47.8431 -25.7082 -25.7082 -23.8382 -23.8382 -23.5964 -23.5964 -18.7974 -18.7974 -18.7226 -18.7226 -18.0967 -18.0967 -1.0572 -1.0572 -0.1072 -0.1072 -0.0093 -0.0093 0.2551 0.2551 0.4086 0.4086 0.4435 0.4435 0.6381 0.6381 0.6959 0.6959 0.7575 0.7575 7.9424 7.9424 8.5419 8.5419 8.6241 8.6241 10.3052 10.3052 11.1313 11.1313 k = 0.0000 0.2500-0.0000 ( 2441 PWs) bands (ev): -47.8429 -47.8429 -25.7152 -25.7152 -23.8556 -23.8556 -23.5961 -23.5961 -18.7968 -18.7968 -18.7224 -18.7224 -18.0415 -18.0415 -1.1533 -1.1533 -0.1068 -0.1068 -0.0099 -0.0099 0.2371 0.2371 0.3854 0.3854 0.4222 0.4222 0.6328 0.6328 0.6961 0.6961 0.7577 0.7577 7.9453 7.9453 8.5983 8.5983 8.6804 8.6804 10.3769 10.3769 11.1341 11.1341 k = 0.0000 0.2625-0.0000 ( 2441 PWs) bands (ev): -47.8426 -47.8426 -25.7223 -25.7223 -23.8725 -23.8725 -23.5958 -23.5958 -18.7962 -18.7962 -18.7221 -18.7221 -17.9864 -17.9864 -1.2496 -1.2496 -0.1061 -0.1061 -0.0107 -0.0107 0.2202 0.2202 0.3624 0.3624 0.4012 0.4012 0.6276 0.6276 0.6964 0.6964 0.7579 0.7579 7.9481 7.9481 8.6547 8.6547 8.7369 8.7369 10.4511 10.4511 11.1368 11.1368 k = 0.0000 0.2750-0.0000 ( 2449 PWs) bands (ev): -47.8425 -47.8425 -25.7295 -25.7295 -23.8890 -23.8890 -23.5955 -23.5955 -18.7956 -18.7956 -18.7219 -18.7219 -17.9316 -17.9316 -1.3454 -1.3454 -0.1053 -0.1053 -0.0115 -0.0115 0.2042 0.2042 0.3397 0.3397 0.3807 0.3807 0.6224 0.6224 0.6966 0.6966 0.7581 0.7581 7.9509 7.9509 8.7108 8.7108 8.7930 8.7930 10.5279 10.5279 11.1395 11.1395 k = 0.0000 0.2875-0.0000 ( 2449 PWs) bands (ev): -47.8422 -47.8422 -25.7365 -25.7365 -23.9049 -23.9049 -23.5952 -23.5952 -18.7951 -18.7951 -18.7216 -18.7216 -17.8775 -17.8775 -1.4398 -1.4398 -0.1043 -0.1043 -0.0125 -0.0125 0.1891 0.1891 0.3174 0.3174 0.3606 0.3606 0.6173 0.6173 0.6969 0.6969 0.7583 0.7583 7.9536 7.9536 8.7663 8.7663 8.8486 8.8486 10.6070 10.6070 11.1421 11.1421 k = 0.0000 0.3000-0.0000 ( 2445 PWs) bands (ev): -47.8419 -47.8419 -25.7435 -25.7435 -23.9202 -23.9202 -23.5948 -23.5948 -18.7946 -18.7946 -18.7214 -18.7214 -17.8244 -17.8244 -1.5324 -1.5324 -0.1031 -0.1031 -0.0136 -0.0136 0.1748 0.1748 0.2957 0.2957 0.3413 0.3413 0.6123 0.6123 0.6972 0.6972 0.7585 0.7585 7.9563 7.9563 8.8208 8.8208 8.9032 8.9032 10.6885 10.6885 11.1447 11.1447 k = 0.0000 0.3125-0.0000 ( 2457 PWs) bands (ev): -47.8419 -47.8419 -25.7505 -25.7505 -23.9348 -23.9348 -23.5945 -23.5945 -18.7941 -18.7941 -18.7212 -18.7212 -17.7726 -17.7726 -1.6224 -1.6224 -0.1017 -0.1017 -0.0148 -0.0148 0.1613 0.1613 0.2747 0.2747 0.3228 0.3228 0.6074 0.6074 0.6975 0.6975 0.7587 0.7587 7.9589 7.9589 8.8740 8.8740 8.9564 8.9564 10.7721 10.7721 11.1472 11.1472 k = 0.0000 0.3250-0.0000 ( 2457 PWs) bands (ev): -47.8417 -47.8417 -25.7572 -25.7572 -23.9486 -23.9486 -23.5942 -23.5942 -18.7937 -18.7937 -18.7210 -18.7210 -17.7225 -17.7225 -1.7092 -1.7092 -0.1002 -0.1002 -0.0161 -0.0161 0.1485 0.1485 0.2545 0.2545 0.3052 0.3052 0.6027 0.6027 0.6978 0.6978 0.7589 0.7589 7.9614 7.9614 8.9256 8.9256 9.0081 9.0081 10.8578 10.8578 11.1496 11.1496 k = 0.0000 0.3375-0.0000 ( 2453 PWs) bands (ev): -47.8414 -47.8414 -25.7637 -25.7637 -23.9617 -23.9617 -23.5940 -23.5940 -18.7933 -18.7933 -18.7208 -18.7208 -17.6743 -17.6743 -1.7924 -1.7924 -0.0985 -0.0985 -0.0176 -0.0176 0.1364 0.1364 0.2352 0.2352 0.2886 0.2886 0.5982 0.5982 0.6980 0.6980 0.7592 0.7592 7.9638 7.9638 8.9752 8.9752 9.0579 9.0579 10.9455 10.9455 11.1520 11.1520 k = 0.0000 0.3500-0.0000 ( 2445 PWs) bands (ev): -47.8410 -47.8410 -25.7699 -25.7699 -23.9739 -23.9739 -23.5937 -23.5937 -18.7928 -18.7928 -18.7206 -18.7206 -17.6284 -17.6284 -1.8715 -1.8715 -0.0966 -0.0966 -0.0192 -0.0192 0.1250 0.1250 0.2170 0.2170 0.2731 0.2731 0.5939 0.5939 0.6983 0.6983 0.7594 0.7594 7.9661 7.9661 9.0226 9.0226 9.1054 9.1054 11.0350 11.0350 11.1542 11.1542 k = 0.0000 0.3625-0.0000 ( 2444 PWs) bands (ev): -47.8408 -47.8408 -25.7758 -25.7758 -23.9852 -23.9852 -23.5934 -23.5934 -18.7925 -18.7925 -18.7204 -18.7204 -17.5850 -17.5850 -1.9460 -1.9460 -0.0946 -0.0946 -0.0208 -0.0208 0.1141 0.1141 0.1999 0.1999 0.2588 0.2588 0.5898 0.5898 0.6986 0.6986 0.7596 0.7596 7.9682 7.9682 9.0674 9.0674 9.1503 9.1503 11.1262 11.1262 11.1563 11.1563 k = 0.0000 0.3750-0.0000 ( 2436 PWs) bands (ev): -47.8405 -47.8405 -25.7814 -25.7814 -23.9956 -23.9956 -23.5932 -23.5932 -18.7922 -18.7922 -18.7202 -18.7202 -17.5443 -17.5443 -2.0155 -2.0155 -0.0924 -0.0924 -0.0226 -0.0226 0.1038 0.1038 0.1841 0.1841 0.2456 0.2456 0.5861 0.5861 0.6988 0.6988 0.7598 0.7598 7.9702 7.9702 9.1095 9.1095 9.1925 9.1925 11.1583 11.1583 11.2190 11.2190 k = 0.0000 0.3875-0.0000 ( 2444 PWs) bands (ev): -47.8405 -47.8405 -25.7866 -25.7866 -24.0051 -24.0051 -23.5930 -23.5930 -18.7919 -18.7919 -18.7200 -18.7200 -17.5067 -17.5067 -2.0795 -2.0795 -0.0901 -0.0901 -0.0244 -0.0244 0.0940 0.0940 0.1696 0.1696 0.2338 0.2338 0.5826 0.5826 0.6990 0.6990 0.7600 0.7600 7.9721 7.9721 9.1483 9.1483 9.2314 9.2314 11.1600 11.1600 11.3132 11.3132 k = 0.0000 0.4000-0.0000 ( 2436 PWs) bands (ev): -47.8402 -47.8402 -25.7913 -25.7913 -24.0136 -24.0136 -23.5927 -23.5927 -18.7916 -18.7916 -18.7198 -18.7198 -17.4724 -17.4724 -2.1378 -2.1378 -0.0877 -0.0877 -0.0262 -0.0262 0.0848 0.0848 0.1567 0.1567 0.2232 0.2232 0.5795 0.5795 0.6992 0.6992 0.7602 0.7602 7.9738 7.9738 9.1839 9.1839 9.2670 9.2670 11.1617 11.1617 11.4085 11.4085 k = 0.0000 0.4125-0.0000 ( 2432 PWs) bands (ev): -47.8400 -47.8400 -25.7956 -25.7956 -24.0211 -24.0211 -23.5926 -23.5926 -18.7913 -18.7913 -18.7197 -18.7197 -17.4416 -17.4416 -2.1900 -2.1900 -0.0852 -0.0852 -0.0280 -0.0280 0.0761 0.0761 0.1452 0.1452 0.2139 0.2139 0.5766 0.5766 0.6994 0.6994 0.7603 0.7603 7.9753 7.9753 9.2158 9.2158 9.2990 9.2990 11.1631 11.1631 11.5049 11.5049 k = 0.0000 0.4250-0.0000 ( 2432 PWs) bands (ev): -47.8399 -47.8399 -25.7993 -25.7993 -24.0277 -24.0277 -23.5924 -23.5924 -18.7911 -18.7911 -18.7196 -18.7196 -17.4145 -17.4145 -2.2358 -2.2358 -0.0828 -0.0828 -0.0297 -0.0297 0.0681 0.0681 0.1354 0.1354 0.2059 0.2059 0.5741 0.5741 0.6996 0.6996 0.7605 0.7605 7.9766 7.9766 9.2439 9.2439 9.3272 9.3272 11.1644 11.1644 11.6022 11.6022 k = 0.0000 0.4375-0.0000 ( 2436 PWs) bands (ev): -47.8398 -47.8398 -25.8026 -25.8026 -24.0333 -24.0333 -23.5923 -23.5923 -18.7910 -18.7910 -18.7195 -18.7195 -17.3912 -17.3912 -2.2751 -2.2751 -0.0804 -0.0804 -0.0312 -0.0312 0.0608 0.0608 0.1271 0.1271 0.1991 0.1991 0.5720 0.5720 0.6997 0.6997 0.7606 0.7606 7.9777 7.9777 9.2680 9.2680 9.3513 9.3513 11.1655 11.1655 11.6999 11.6999 k = 0.0000 0.4500-0.0000 ( 2428 PWs) bands (ev): -47.8396 -47.8396 -25.8052 -25.8052 -24.0378 -24.0378 -23.5921 -23.5921 -18.7908 -18.7908 -18.7194 -18.7194 -17.3720 -17.3720 -2.3075 -2.3075 -0.0782 -0.0782 -0.0326 -0.0326 0.0545 0.0545 0.1205 0.1205 0.1937 0.1937 0.5702 0.5702 0.6999 0.6999 0.7607 0.7607 7.9787 7.9787 9.2879 9.2879 9.3714 9.3714 11.1665 11.1665 11.7979 11.7979 k = 0.0000 0.4625-0.0000 ( 2416 PWs) bands (ev): -47.8394 -47.8394 -25.8073 -25.8073 -24.0413 -24.0413 -23.5920 -23.5920 -18.7907 -18.7907 -18.7194 -18.7194 -17.3569 -17.3569 -2.3328 -2.3328 -0.0762 -0.0762 -0.0337 -0.0337 0.0493 0.0493 0.1154 0.1154 0.1894 0.1894 0.5688 0.5688 0.7000 0.7000 0.7608 0.7608 7.9794 7.9794 9.3037 9.3037 9.3871 9.3871 11.1673 11.1673 11.8958 11.8958 k = 0.0000 0.4750-0.0000 ( 2416 PWs) bands (ev): -47.8393 -47.8393 -25.8088 -25.8088 -24.0439 -24.0439 -23.5919 -23.5919 -18.7906 -18.7906 -18.7193 -18.7193 -17.3460 -17.3460 -2.3511 -2.3511 -0.0747 -0.0747 -0.0345 -0.0345 0.0454 0.0454 0.1118 0.1118 0.1864 0.1864 0.5678 0.5678 0.7001 0.7001 0.7609 0.7609 7.9800 7.9800 9.3149 9.3149 9.3984 9.3984 11.1678 11.1678 11.9933 11.9933 k = 0.0000 0.4875-0.0000 ( 2416 PWs) bands (ev): -47.8393 -47.8393 -25.8098 -25.8098 -24.0454 -24.0454 -23.5919 -23.5919 -18.7905 -18.7905 -18.7193 -18.7193 -17.3394 -17.3394 -2.3620 -2.3620 -0.0737 -0.0737 -0.0350 -0.0350 0.0429 0.0429 0.1096 0.1096 0.1846 0.1846 0.5672 0.5672 0.7001 0.7001 0.7609 0.7609 7.9803 7.9803 9.3217 9.3217 9.4052 9.4052 11.1681 11.1681 12.0898 12.0898 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -47.8393 -47.8393 -25.8101 -25.8101 -24.0459 -24.0459 -23.5919 -23.5919 -18.7905 -18.7905 -18.7193 -18.7193 -17.3373 -17.3373 -2.3657 -2.3657 -0.0734 -0.0734 -0.0352 -0.0352 0.0421 0.0421 0.1089 0.1089 0.1840 0.1840 0.5670 0.5670 0.7001 0.7001 0.7609 0.7609 7.9804 7.9804 9.3240 9.3240 9.4075 9.4075 11.1682 11.1682 12.1816 12.1816 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -47.8393 -47.8393 -25.8101 -25.8101 -24.0459 -24.0459 -23.5919 -23.5919 -18.7905 -18.7905 -18.7193 -18.7193 -17.3373 -17.3373 -2.3657 -2.3657 -0.0734 -0.0734 -0.0352 -0.0352 0.0421 0.0421 0.1089 0.1089 0.1840 0.1840 0.5670 0.5670 0.7001 0.7001 0.7609 0.7609 7.9804 7.9804 9.3240 9.3240 9.4075 9.4075 11.1682 11.1682 12.1816 12.1816 k = 0.0125 0.5000-0.0000 ( 2416 PWs) bands (ev): -47.8393 -47.8393 -25.8102 -25.8102 -24.0462 -24.0462 -23.5926 -23.5926 -18.7894 -18.7894 -18.7182 -18.7182 -17.3372 -17.3372 -2.3657 -2.3657 -0.0816 -0.0816 -0.0424 -0.0424 0.0510 0.0510 0.1113 0.1113 0.1826 0.1826 0.5691 0.5691 0.6987 0.6987 0.7593 0.7593 7.9826 7.9826 9.3248 9.3248 9.4083 9.4083 11.1718 11.1718 12.1842 12.1842 k = 0.0250 0.5000-0.0000 ( 2416 PWs) bands (ev): -47.8392 -47.8392 -25.8108 -25.8108 -24.0470 -24.0470 -23.5946 -23.5946 -18.7862 -18.7862 -18.7146 -18.7146 -17.3372 -17.3372 -2.3657 -2.3657 -0.1086 -0.1086 -0.0493 -0.0493 0.0624 0.0624 0.1215 0.1215 0.1786 0.1786 0.5754 0.5754 0.6945 0.6945 0.7545 0.7545 7.9893 7.9893 9.3272 9.3272 9.4110 9.4110 11.1824 11.1824 12.1912 12.1912 k = 0.0375 0.5000-0.0000 ( 2434 PWs) bands (ev): -47.8395 -47.8395 -25.8117 -25.8117 -24.0484 -24.0484 -23.5980 -23.5980 -18.7815 -18.7815 -18.7081 -18.7081 -17.3370 -17.3370 -2.3658 -2.3658 -0.1475 -0.1475 -0.0517 -0.0517 0.0623 0.0623 0.1412 0.1412 0.1727 0.1727 0.5859 0.5859 0.6875 0.6875 0.7470 0.7470 8.0003 8.0003 9.3309 9.3309 9.4155 9.4155 11.1996 11.1996 12.1992 12.1992 k = 0.0500 0.5000-0.0000 ( 2436 PWs) bands (ev): -47.8394 -47.8394 -25.8130 -25.8130 -24.0504 -24.0504 -23.6026 -23.6026 -18.7764 -18.7764 -18.6977 -18.6977 -17.3369 -17.3369 -2.3659 -2.3659 -0.1915 -0.1915 -0.0524 -0.0524 0.0514 0.0514 0.1636 0.1636 0.1669 0.1669 0.6006 0.6006 0.6777 0.6777 0.7373 0.7373 8.0156 8.0156 9.3356 9.3356 9.4224 9.4224 11.2233 11.2233 12.2088 12.2088 k = 0.0625 0.5000-0.0000 ( 2436 PWs) bands (ev): -47.8394 -47.8394 -25.8146 -25.8146 -24.0529 -24.0529 -23.6084 -23.6084 -18.7715 -18.7715 -18.6828 -18.6828 -17.3366 -17.3366 -2.3660 -2.3660 -0.2381 -0.2381 -0.0525 -0.0525 0.0314 0.0314 0.1585 0.1585 0.1881 0.1881 0.6192 0.6192 0.6653 0.6653 0.7261 0.7261 8.0352 8.0352 9.3409 9.3409 9.4320 9.4320 11.2525 11.2525 12.2208 12.2208 k = 0.0750 0.5000-0.0000 ( 2440 PWs) bands (ev): -47.8393 -47.8393 -25.8165 -25.8165 -24.0560 -24.0560 -23.6152 -23.6152 -18.7675 -18.7675 -18.6629 -18.6629 -17.3363 -17.3363 -2.3662 -2.3662 -0.2861 -0.2861 -0.0524 -0.0524 0.0025 0.0025 0.1522 0.1522 0.2088 0.2088 0.6416 0.6416 0.6508 0.6508 0.7137 0.7137 8.0588 8.0588 9.3462 9.3462 9.4447 9.4447 11.2865 11.2865 12.2356 12.2356 k = 0.0875 0.5000-0.0000 ( 2440 PWs) bands (ev): -47.8392 -47.8392 -25.8188 -25.8188 -24.0597 -24.0597 -23.6230 -23.6230 -18.7644 -18.7644 -18.6382 -18.6382 -17.3359 -17.3359 -2.3664 -2.3664 -0.3351 -0.3351 -0.0521 -0.0521 -0.0353 -0.0353 0.1468 0.1468 0.2268 0.2268 0.6348 0.6348 0.6672 0.6672 0.7005 0.7005 8.0864 8.0864 9.3513 9.3513 9.4607 9.4607 11.3245 11.3245 12.2530 12.2530 k = 0.1000 0.5000-0.0000 ( 2436 PWs) bands (ev): -47.8390 -47.8390 -25.8214 -25.8214 -24.0640 -24.0640 -23.6315 -23.6315 -18.7620 -18.7620 -18.6091 -18.6091 -17.3355 -17.3355 -2.3666 -2.3666 -0.3846 -0.3846 -0.0819 -0.0819 -0.0516 -0.0516 0.1422 0.1422 0.2422 0.2422 0.6179 0.6179 0.6852 0.6852 0.6969 0.6969 8.1178 8.1178 9.3560 9.3560 9.4801 9.4801 11.3653 11.3653 12.2731 12.2731 k = 0.1125 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8390 -47.8390 -25.8244 -25.8244 -24.0690 -24.0690 -23.6407 -23.6407 -18.7602 -18.7602 -18.5759 -18.5759 -17.3350 -17.3350 -2.3669 -2.3669 -0.4343 -0.4343 -0.1369 -0.1369 -0.0510 -0.0510 0.1381 0.1381 0.2550 0.2550 0.6009 0.6009 0.6711 0.6711 0.7268 0.7268 8.1527 8.1527 9.3602 9.3602 9.5027 9.5027 11.4080 11.4080 12.2960 12.2960 k = 0.1250 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8389 -47.8389 -25.8276 -25.8276 -24.0747 -24.0747 -23.6503 -23.6503 -18.7588 -18.7588 -18.5391 -18.5391 -17.3344 -17.3344 -2.3673 -2.3673 -0.4840 -0.4840 -0.1996 -0.1996 -0.0504 -0.0504 0.1344 0.1344 0.2658 0.2658 0.5841 0.5841 0.6557 0.6557 0.7589 0.7589 8.1910 8.1910 9.3642 9.3642 9.5283 9.5283 11.4518 11.4518 12.3217 12.3217 k = 0.1375 0.5000-0.0000 ( 2444 PWs) bands (ev): -47.8386 -47.8386 -25.8311 -25.8311 -24.0810 -24.0810 -23.6602 -23.6602 -18.7577 -18.7577 -18.4990 -18.4990 -17.3338 -17.3338 -2.3677 -2.3677 -0.5334 -0.5334 -0.2694 -0.2694 -0.0497 -0.0497 0.1307 0.1307 0.2749 0.2749 0.5679 0.5679 0.6396 0.6396 0.7921 0.7921 8.2324 8.2324 9.3679 9.3679 9.5568 9.5568 11.4957 11.4957 12.3501 12.3501 k = 0.1500 0.5000-0.0000 ( 2452 PWs) bands (ev): -47.8385 -47.8385 -25.8350 -25.8350 -24.0879 -24.0879 -23.6704 -23.6704 -18.7567 -18.7567 -18.4561 -18.4561 -17.3331 -17.3331 -2.3683 -2.3683 -0.5825 -0.5825 -0.3457 -0.3457 -0.0490 -0.0490 0.1270 0.1270 0.2825 0.2825 0.5525 0.5525 0.6230 0.6230 0.8258 0.8258 8.2767 8.2767 9.3714 9.3714 9.5878 9.5878 11.5390 11.5390 12.3814 12.3814 k = 0.1625 0.5000-0.0000 ( 2444 PWs) bands (ev): -47.8382 -47.8382 -25.8390 -25.8390 -24.0956 -24.0956 -23.6805 -23.6805 -18.7559 -18.7559 -18.4106 -18.4106 -17.3322 -17.3322 -2.3690 -2.3690 -0.6309 -0.6309 -0.4275 -0.4275 -0.0482 -0.0482 0.1233 0.1233 0.2889 0.2889 0.5379 0.5379 0.6059 0.6059 0.8597 0.8597 8.3236 8.3236 9.3747 9.3747 9.6212 9.6212 11.5814 11.5814 12.4156 12.4156 k = 0.1750 0.5000-0.0000 ( 2444 PWs) bands (ev): -47.8380 -47.8380 -25.8433 -25.8433 -24.1038 -24.1038 -23.6905 -23.6905 -18.7552 -18.7552 -18.3629 -18.3629 -17.3313 -17.3313 -2.3698 -2.3698 -0.6787 -0.6787 -0.5141 -0.5141 -0.0473 -0.0473 0.1193 0.1193 0.2944 0.2944 0.5241 0.5241 0.5886 0.5886 0.8934 0.8934 8.3727 8.3727 9.3780 9.3780 9.6566 9.6566 11.6222 11.6222 12.4527 12.4527 k = 0.1875 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8378 -47.8378 -25.8479 -25.8479 -24.1127 -24.1127 -23.7003 -23.7003 -18.7546 -18.7546 -18.3134 -18.3134 -17.3303 -17.3303 -2.3707 -2.3707 -0.7256 -0.7256 -0.6044 -0.6044 -0.0465 -0.0465 0.1151 0.1151 0.2992 0.2992 0.5110 0.5110 0.5711 0.5711 0.9266 0.9266 8.4239 8.4239 9.3813 9.3813 9.6938 9.6938 11.6614 11.6614 12.4927 12.4927 k = 0.2000 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8376 -47.8376 -25.8526 -25.8526 -24.1222 -24.1222 -23.7098 -23.7098 -18.7540 -18.7540 -18.2624 -18.2624 -17.3291 -17.3291 -2.3719 -2.3719 -0.7716 -0.7716 -0.6978 -0.6978 -0.0455 -0.0455 0.1106 0.1106 0.3033 0.3033 0.4986 0.4986 0.5535 0.5535 0.9591 0.9591 8.4768 8.4768 9.3845 9.3845 9.7326 9.7326 11.6989 11.6989 12.5357 12.5357 k = 0.2125 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8373 -47.8373 -25.8575 -25.8575 -24.1322 -24.1322 -23.7188 -23.7188 -18.7535 -18.7535 -18.2103 -18.2103 -17.3278 -17.3278 -2.3733 -2.3733 -0.8166 -0.8166 -0.7931 -0.7931 -0.0446 -0.0446 0.1057 0.1057 0.3069 0.3069 0.4869 0.4869 0.5361 0.5361 0.9908 0.9908 8.5310 8.5310 9.3877 9.3877 9.7727 9.7727 11.7346 11.7346 12.5818 12.5818 k = 0.2250 0.5000-0.0000 ( 2450 PWs) bands (ev): -47.8371 -47.8371 -25.8626 -25.8626 -24.1426 -24.1426 -23.7273 -23.7273 -18.7530 -18.7530 -18.1574 -18.1574 -17.3263 -17.3263 -2.3750 -2.3750 -0.8906 -0.8906 -0.8597 -0.8597 -0.0436 -0.0436 0.1005 0.1005 0.3100 0.3100 0.4757 0.4757 0.5190 0.5190 1.0215 1.0215 8.5864 8.5864 9.3909 9.3909 9.8138 9.8138 11.7687 11.7687 12.6310 12.6310 k = 0.2375 0.5000-0.0000 ( 2450 PWs) bands (ev): -47.8369 -47.8369 -25.8678 -25.8678 -24.1534 -24.1534 -23.7353 -23.7353 -18.7526 -18.7526 -18.1041 -18.1041 -17.3246 -17.3246 -2.3769 -2.3769 -0.9878 -0.9878 -0.9022 -0.9022 -0.0426 -0.0426 0.0949 0.0949 0.3128 0.3128 0.4651 0.4651 0.5024 0.5024 1.0511 1.0511 8.6424 8.6424 9.3941 9.3941 9.8556 9.8556 11.8011 11.8011 12.6833 12.6833 k = 0.2500 0.5000-0.0000 ( 2458 PWs) bands (ev): -47.8368 -47.8368 -25.8731 -25.8731 -24.1644 -24.1644 -23.7428 -23.7428 -18.7522 -18.7522 -18.0507 -18.0507 -17.3227 -17.3227 -2.3793 -2.3793 -1.0850 -1.0850 -0.9432 -0.9432 -0.0417 -0.0417 0.0888 0.0888 0.3152 0.3152 0.4550 0.4550 0.4863 0.4863 1.0795 1.0795 8.6989 8.6989 9.3972 9.3972 9.8980 9.8980 11.8318 11.8318 12.7388 12.7388 k = 0.2625 0.5000-0.0000 ( 2452 PWs) bands (ev): -47.8364 -47.8364 -25.8784 -25.8784 -24.1757 -24.1757 -23.7497 -23.7497 -18.7517 -18.7517 -17.9976 -17.9976 -17.3205 -17.3205 -2.3821 -2.3821 -1.1813 -1.1813 -0.9828 -0.9828 -0.0407 -0.0407 0.0824 0.0824 0.3174 0.3174 0.4453 0.4453 0.4709 0.4709 1.1067 1.1067 8.7555 8.7555 9.4004 9.4004 9.9405 9.9405 11.8612 11.8612 12.7975 12.7975 k = 0.2750 0.5000-0.0000 ( 2452 PWs) bands (ev): -47.8362 -47.8362 -25.8838 -25.8838 -24.1870 -24.1870 -23.7561 -23.7561 -18.7513 -18.7513 -17.9452 -17.9452 -17.3180 -17.3180 -2.3855 -2.3855 -1.2758 -1.2758 -1.0207 -1.0207 -0.0397 -0.0397 0.0756 0.0756 0.3193 0.3193 0.4361 0.4361 0.4563 0.4563 1.1325 1.1325 8.8117 8.8117 9.4036 9.4036 9.9829 9.9829 11.8890 11.8890 12.8594 12.8594 k = 0.2875 0.5000-0.0000 ( 2452 PWs) bands (ev): -47.8359 -47.8359 -25.8891 -25.8891 -24.1983 -24.1983 -23.7619 -23.7619 -18.7510 -18.7510 -17.8939 -17.8939 -17.3151 -17.3151 -2.3895 -2.3895 -1.3680 -1.3680 -1.0570 -1.0570 -0.0387 -0.0387 0.0684 0.0684 0.3209 0.3209 0.4274 0.4274 0.4426 0.4426 1.1569 1.1569 8.8673 8.8673 9.4067 9.4067 10.0249 10.0249 11.9155 11.9155 12.9247 12.9247 k = 0.3000 0.5000-0.0000 ( 2454 PWs) bands (ev): -47.8357 -47.8357 -25.8944 -25.8944 -24.2095 -24.2095 -23.7672 -23.7672 -18.7506 -18.7506 -17.8441 -17.8441 -17.3118 -17.3118 -2.3942 -2.3942 -1.4572 -1.4572 -1.0916 -1.0916 -0.0378 -0.0378 0.0609 0.0609 0.3223 0.3223 0.4190 0.4190 0.4300 0.4300 1.1800 1.1800 8.9219 8.9219 9.4098 9.4098 10.0663 10.0663 11.9406 11.9406 12.9932 12.9932 k = 0.3125 0.5000-0.0000 ( 2446 PWs) bands (ev): -47.8354 -47.8354 -25.8996 -25.8996 -24.2204 -24.2204 -23.7719 -23.7719 -18.7503 -18.7503 -17.7961 -17.7961 -17.3079 -17.3079 -2.3999 -2.3999 -1.5425 -1.5425 -1.1244 -1.1244 -0.0368 -0.0368 0.0532 0.0532 0.3235 0.3235 0.4107 0.4107 0.4187 0.4187 1.2017 1.2017 8.9752 8.9752 9.4129 9.4129 10.1068 10.1068 11.9643 11.9643 13.0651 13.0651 k = 0.3250 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8352 -47.8352 -25.9048 -25.9048 -24.2310 -24.2310 -23.7763 -23.7763 -18.7500 -18.7500 -17.7504 -17.7504 -17.3034 -17.3034 -2.4066 -2.4066 -1.6234 -1.6234 -1.1554 -1.1554 -0.0359 -0.0359 0.0453 0.0453 0.3244 0.3244 0.4024 0.4024 0.4091 0.4091 1.2219 1.2219 9.0268 9.0268 9.4159 9.4159 10.1460 10.1460 11.9866 11.9866 13.1402 13.1402 k = 0.3375 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8349 -47.8349 -25.9097 -25.9097 -24.2413 -24.2413 -23.7801 -23.7801 -18.7497 -18.7497 -17.7074 -17.7074 -17.2982 -17.2982 -2.4146 -2.4146 -1.6993 -1.6993 -1.1846 -1.1846 -0.0351 -0.0351 0.0372 0.0372 0.3250 0.3250 0.3938 0.3938 0.4012 0.4012 1.2407 1.2407 9.0764 9.0764 9.4190 9.4190 10.1837 10.1837 12.0075 12.0075 13.2185 13.2185 k = 0.3500 0.5000-0.0000 ( 2450 PWs) bands (ev): -47.8348 -47.8348 -25.9145 -25.9145 -24.2511 -24.2511 -23.7836 -23.7836 -18.7494 -18.7494 -17.6675 -17.6675 -17.2922 -17.2922 -2.4240 -2.4240 -1.7694 -1.7694 -1.2117 -1.2117 -0.0343 -0.0343 0.0293 0.0293 0.3254 0.3254 0.3854 0.3854 0.3947 0.3947 1.2581 1.2581 9.1236 9.1236 9.4220 9.4220 10.2196 10.2196 12.0269 12.0269 13.3001 13.3001 k = 0.3625 0.5000-0.0000 ( 2450 PWs) bands (ev): -47.8346 -47.8346 -25.9190 -25.9190 -24.2603 -24.2603 -23.7866 -23.7866 -18.7491 -18.7491 -17.6310 -17.6310 -17.2852 -17.2852 -2.4350 -2.4350 -1.8332 -1.8332 -1.2369 -1.2369 -0.0335 -0.0335 0.0214 0.0214 0.3255 0.3255 0.3776 0.3776 0.3892 0.3892 1.2740 1.2740 9.1681 9.1681 9.4251 9.4251 10.2536 10.2536 12.0450 12.0450 13.3847 13.3847 k = 0.3750 0.5000-0.0000 ( 2446 PWs) bands (ev): -47.8343 -47.8343 -25.9233 -25.9233 -24.2689 -24.2689 -23.7893 -23.7893 -18.7489 -18.7489 -17.5982 -17.5982 -17.2773 -17.2773 -2.4475 -2.4475 -1.8903 -1.8903 -1.2600 -1.2600 -0.0327 -0.0327 0.0138 0.0138 0.3254 0.3254 0.3706 0.3706 0.3844 0.3844 1.2885 1.2885 9.2095 9.2095 9.4282 9.4282 10.2855 10.2855 12.0616 12.0616 13.4722 13.4722 k = 0.3875 0.5000-0.0000 ( 2446 PWs) bands (ev): -47.8342 -47.8342 -25.9272 -25.9272 -24.2769 -24.2769 -23.7917 -23.7917 -18.7486 -18.7486 -17.5694 -17.5694 -17.2685 -17.2685 -2.4617 -2.4617 -1.9404 -1.9404 -1.2810 -1.2810 -0.0321 -0.0321 0.0065 0.0065 0.3250 0.3250 0.3643 0.3643 0.3804 0.3804 1.3016 1.3016 9.2474 9.2474 9.4315 9.4315 10.3148 10.3148 12.0767 12.0767 13.5625 13.5625 k = 0.4000 0.5000-0.0000 ( 2450 PWs) bands (ev): -47.8341 -47.8341 -25.9309 -25.9309 -24.2841 -24.2841 -23.7938 -23.7938 -18.7484 -18.7484 -17.5447 -17.5447 -17.2589 -17.2589 -2.4771 -2.4771 -1.9833 -1.9833 -1.3000 -1.3000 -0.0315 -0.0315 -0.0003 -0.0003 0.3244 0.3244 0.3588 0.3588 0.3770 0.3770 1.3133 1.3133 9.2816 9.2816 9.4351 9.4351 10.3416 10.3416 12.0903 12.0903 13.6552 13.6552 k = 0.4125 0.5000-0.0000 ( 2446 PWs) bands (ev): -47.8339 -47.8339 -25.9342 -25.9342 -24.2906 -24.2906 -23.7955 -23.7955 -18.7482 -18.7482 -17.5239 -17.5239 -17.2488 -17.2488 -2.4934 -2.4934 -2.0193 -2.0193 -1.3167 -1.3167 -0.0310 -0.0310 -0.0065 -0.0065 0.3236 0.3236 0.3541 0.3541 0.3743 0.3743 1.3235 1.3235 9.3115 9.3115 9.4390 9.4390 10.3657 10.3657 12.1024 12.1024 13.7499 13.7499 k = 0.4250 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8338 -47.8338 -25.9371 -25.9371 -24.2962 -24.2962 -23.7970 -23.7970 -18.7481 -18.7481 -17.5069 -17.5069 -17.2386 -17.2386 -2.5098 -2.5098 -2.0487 -2.0487 -1.3313 -1.3313 -0.0306 -0.0306 -0.0121 -0.0121 0.3227 0.3227 0.3501 0.3501 0.3720 0.3720 1.3324 1.3324 9.3369 9.3369 9.4436 9.4436 10.3868 10.3868 12.1129 12.1129 13.8458 13.8458 k = 0.4375 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8337 -47.8337 -25.9396 -25.9396 -24.3011 -24.3011 -23.7983 -23.7983 -18.7480 -18.7480 -17.4933 -17.4933 -17.2289 -17.2289 -2.5256 -2.5256 -2.0721 -2.0721 -1.3437 -1.3437 -0.0303 -0.0303 -0.0169 -0.0169 0.3218 0.3218 0.3468 0.3468 0.3703 0.3703 1.3399 1.3399 9.3573 9.3573 9.4487 9.4487 10.4049 10.4049 12.1218 12.1218 13.9421 13.9421 k = 0.4500 0.5000-0.0000 ( 2444 PWs) bands (ev): -47.8335 -47.8335 -25.9417 -25.9417 -24.3051 -24.3051 -23.7993 -23.7993 -18.7478 -18.7478 -17.4829 -17.4829 -17.2201 -17.2201 -2.5400 -2.5400 -2.0901 -2.0901 -1.3539 -1.3539 -0.0301 -0.0301 -0.0208 -0.0208 0.3209 0.3209 0.3442 0.3442 0.3690 0.3690 1.3461 1.3461 9.3729 9.3729 9.4545 9.4545 10.4198 10.4198 12.1291 12.1291 14.0370 14.0370 k = 0.4625 0.5000-0.0000 ( 2448 PWs) bands (ev): -47.8335 -47.8335 -25.9433 -25.9433 -24.3082 -24.3082 -23.8000 -23.8000 -18.7478 -18.7478 -17.4751 -17.4751 -17.2127 -17.2127 -2.5520 -2.5520 -2.1034 -2.1034 -1.3618 -1.3618 -0.0302 -0.0302 -0.0237 -0.0237 0.3202 0.3202 0.3421 0.3421 0.3680 0.3680 1.3508 1.3508 9.3838 9.3838 9.4603 9.4603 10.4315 10.4315 12.1348 12.1348 14.1273 14.1273 k = 0.4750 0.5000-0.0000 ( 2456 PWs) bands (ev): -47.8336 -47.8336 -25.9445 -25.9445 -24.3105 -24.3105 -23.8006 -23.8006 -18.7477 -18.7477 -17.4699 -17.4699 -17.2071 -17.2071 -2.5611 -2.5611 -2.1125 -2.1125 -1.3675 -1.3675 -0.0305 -0.0305 -0.0256 -0.0256 0.3196 0.3196 0.3407 0.3407 0.3674 0.3674 1.3542 1.3542 9.3907 9.3907 9.4652 9.4652 10.4399 10.4399 12.1389 12.1389 14.2072 14.2072 k = 0.4875 0.5000-0.0000 ( 2464 PWs) bands (ev): -47.8337 -47.8337 -25.9452 -25.9452 -24.3119 -24.3119 -23.8009 -23.8009 -18.7477 -18.7477 -17.4668 -17.4668 -17.2037 -17.2037 -2.5668 -2.5668 -2.1179 -2.1179 -1.3709 -1.3709 -0.0310 -0.0310 -0.0265 -0.0265 0.3192 0.3192 0.3398 0.3398 0.3670 0.3670 1.3562 1.3562 9.3946 9.3946 9.4686 9.4686 10.4449 10.4449 12.1413 12.1413 14.2659 14.2659 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -47.8337 -47.8337 -25.9455 -25.9455 -24.3123 -24.3123 -23.8010 -23.8010 -18.7477 -18.7477 -17.4658 -17.4658 -17.2025 -17.2025 -2.5687 -2.5687 -2.1196 -2.1196 -1.3721 -1.3721 -0.0312 -0.0312 -0.0267 -0.0267 0.3191 0.3191 0.3395 0.3395 0.3669 0.3669 1.3569 1.3569 9.3958 9.3958 9.4698 9.4698 10.4466 10.4466 12.1421 12.1421 14.2884 14.2884 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -47.8337 -47.8337 -25.9455 -25.9455 -24.3123 -24.3123 -23.8010 -23.8010 -18.7477 -18.7477 -17.4658 -17.4658 -17.2025 -17.2025 -2.5687 -2.5687 -2.1196 -2.1196 -1.3721 -1.3721 -0.0312 -0.0312 -0.0267 -0.0267 0.3191 0.3191 0.3395 0.3395 0.3669 0.3669 1.3569 1.3569 9.3958 9.3958 9.4698 9.4698 10.4466 10.4466 12.1421 12.1421 14.2884 14.2884 k = 0.4912 0.4912-0.0000 ( 2464 PWs) bands (ev): -47.8337 -47.8337 -25.9452 -25.9452 -24.3119 -24.3119 -23.8009 -23.8009 -18.7477 -18.7477 -17.4668 -17.4668 -17.2037 -17.2037 -2.5668 -2.5668 -2.1179 -2.1179 -1.3710 -1.3710 -0.0310 -0.0310 -0.0265 -0.0265 0.3192 0.3192 0.3398 0.3398 0.3670 0.3670 1.3562 1.3562 9.3946 9.3946 9.4686 9.4686 10.4449 10.4449 12.1413 12.1413 14.2661 14.2661 k = 0.4825 0.4825-0.0000 ( 2458 PWs) bands (ev): -47.8336 -47.8336 -25.9445 -25.9445 -24.3105 -24.3105 -23.8006 -23.8006 -18.7477 -18.7477 -17.4697 -17.4697 -17.2072 -17.2072 -2.5611 -2.5611 -2.1128 -2.1128 -1.3676 -1.3676 -0.0305 -0.0305 -0.0256 -0.0256 0.3196 0.3196 0.3406 0.3406 0.3674 0.3674 1.3542 1.3542 9.3910 9.3910 9.4651 9.4651 10.4400 10.4400 12.1389 12.1389 14.2066 14.2066 k = 0.4737 0.4737-0.0000 ( 2454 PWs) bands (ev): -47.8336 -47.8336 -25.9433 -25.9433 -24.3083 -24.3083 -23.8001 -23.8001 -18.7478 -18.7478 -17.4747 -17.4747 -17.2130 -17.2130 -2.5516 -2.5516 -2.1043 -2.1043 -1.3620 -1.3620 -0.0302 -0.0302 -0.0237 -0.0237 0.3202 0.3202 0.3420 0.3420 0.3680 0.3680 1.3509 1.3509 9.3851 9.3851 9.4591 9.4591 10.4317 10.4317 12.1348 12.1348 14.1233 14.1233 k = 0.4649 0.4649-0.0000 ( 2450 PWs) bands (ev): -47.8336 -47.8336 -25.9417 -25.9417 -24.3052 -24.3052 -23.7993 -23.7993 -18.7478 -18.7478 -17.4816 -17.4816 -17.2210 -17.2210 -2.5384 -2.5384 -2.0924 -2.0924 -1.3542 -1.3542 -0.0302 -0.0302 -0.0207 -0.0207 0.3211 0.3211 0.3440 0.3440 0.3688 0.3688 1.3463 1.3463 9.3769 9.3769 9.4508 9.4508 10.4200 10.4200 12.1291 12.1291 14.0262 14.0262 k = 0.4561 0.4561-0.0000 ( 2442 PWs) bands (ev): -47.8336 -47.8336 -25.9396 -25.9396 -24.3012 -24.3012 -23.7983 -23.7983 -18.7479 -18.7479 -17.4904 -17.4904 -17.2314 -17.2314 -2.5214 -2.5214 -2.0772 -2.0772 -1.3441 -1.3441 -0.0304 -0.0304 -0.0166 -0.0166 0.3222 0.3222 0.3465 0.3465 0.3699 0.3699 1.3404 1.3404 9.3663 9.3663 9.4403 9.4403 10.4050 10.4050 12.1217 12.1217 13.9213 13.9213 k = 0.4474 0.4474-0.0000 ( 2442 PWs) bands (ev): -47.8337 -47.8337 -25.9371 -25.9371 -24.2963 -24.2963 -23.7972 -23.7972 -18.7481 -18.7481 -17.5011 -17.5011 -17.2440 -17.2440 -2.5008 -2.5008 -2.0587 -2.0587 -1.3319 -1.3319 -0.0307 -0.0307 -0.0115 -0.0115 0.3235 0.3235 0.3495 0.3495 0.3712 0.3712 1.3332 1.3332 9.3535 9.3535 9.4274 9.4274 10.3868 10.3868 12.1125 12.1125 13.8119 13.8119 k = 0.4386 0.4386-0.0000 ( 2440 PWs) bands (ev): -47.8338 -47.8338 -25.9341 -25.9341 -24.2906 -24.2906 -23.7958 -23.7958 -18.7482 -18.7482 -17.5137 -17.5137 -17.2588 -17.2588 -2.4765 -2.4765 -2.0370 -2.0370 -1.3175 -1.3175 -0.0312 -0.0312 -0.0054 -0.0054 0.3251 0.3251 0.3531 0.3531 0.3727 0.3727 1.3248 1.3248 9.3384 9.3384 9.4123 9.4123 10.3652 10.3652 12.1015 12.1015 13.7000 13.7000 k = 0.4298 0.4298-0.0000 ( 2440 PWs) bands (ev): -47.8339 -47.8339 -25.9307 -25.9307 -24.2840 -24.2840 -23.7942 -23.7942 -18.7484 -18.7484 -17.5282 -17.5282 -17.2757 -17.2757 -2.4487 -2.4487 -2.0121 -2.0121 -1.3009 -1.3009 -0.0318 -0.0318 0.0016 0.0016 0.3269 0.3269 0.3572 0.3572 0.3745 0.3745 1.3152 1.3152 9.3211 9.3211 9.3951 9.3951 10.3404 10.3404 12.0885 12.0885 13.5870 13.5870 k = 0.4211 0.4211-0.0000 ( 2444 PWs) bands (ev): -47.8341 -47.8341 -25.9268 -25.9268 -24.2766 -24.2766 -23.7925 -23.7925 -18.7486 -18.7486 -17.5444 -17.5444 -17.2948 -17.2948 -2.4173 -2.4173 -1.9841 -1.9841 -1.2821 -1.2821 -0.0325 -0.0325 0.0096 0.0096 0.3289 0.3289 0.3618 0.3618 0.3764 0.3764 1.3045 1.3045 9.3017 9.3017 9.3758 9.3758 10.3123 10.3123 12.0735 12.0735 13.4736 13.4736 k = 0.4123 0.4123-0.0000 ( 2444 PWs) bands (ev): -47.8343 -47.8343 -25.9226 -25.9226 -24.2684 -24.2684 -23.7905 -23.7905 -18.7488 -18.7488 -17.5623 -17.5623 -17.3159 -17.3159 -2.3826 -2.3826 -1.9532 -1.9532 -1.2612 -1.2612 -0.0332 -0.0332 0.0184 0.0184 0.3312 0.3312 0.3669 0.3669 0.3787 0.3787 1.2927 1.2927 9.2803 9.2803 9.3545 9.3545 10.2810 10.2810 12.0563 12.0563 13.3608 13.3608 k = 0.4035 0.4035-0.0000 ( 2440 PWs) bands (ev): -47.8345 -47.8345 -25.9179 -25.9179 -24.2593 -24.2593 -23.7883 -23.7883 -18.7491 -18.7491 -17.5819 -17.5819 -17.3389 -17.3389 -2.3445 -2.3445 -1.9193 -1.9193 -1.2382 -1.2382 -0.0339 -0.0339 0.0281 0.0281 0.3337 0.3337 0.3725 0.3725 0.3811 0.3811 1.2798 1.2798 9.2568 9.2568 9.3312 9.3312 10.2466 10.2466 12.0368 12.0368 13.2490 13.2490 k = 0.3947 0.3947-0.0000 ( 2440 PWs) bands (ev): -47.8347 -47.8347 -25.9128 -25.9128 -24.2494 -24.2494 -23.7858 -23.7858 -18.7494 -18.7494 -17.6032 -17.6032 -17.3638 -17.3638 -2.3032 -2.3032 -1.8826 -1.8826 -1.2131 -1.2131 -0.0347 -0.0347 0.0386 0.0386 0.3364 0.3364 0.3785 0.3785 0.3838 0.3838 1.2659 1.2659 9.2314 9.2314 9.3060 9.3060 10.2091 10.2091 12.0147 12.0147 13.1388 13.1388 k = 0.3860 0.3860-0.0000 ( 2442 PWs) bands (ev): -47.8349 -47.8349 -25.9074 -25.9074 -24.2388 -24.2388 -23.7832 -23.7832 -18.7497 -18.7497 -17.6259 -17.6259 -17.3906 -17.3906 -2.2587 -2.2587 -1.8432 -1.8432 -1.1860 -1.1860 -0.0356 -0.0356 0.0500 0.0500 0.3393 0.3393 0.3850 0.3850 0.3868 0.3868 1.2511 1.2511 9.2042 9.2042 9.2791 9.2791 10.1686 10.1686 11.9898 11.9898 13.0307 13.0307 k = 0.3772 0.3772-0.0000 ( 2450 PWs) bands (ev): -47.8353 -47.8353 -25.9016 -25.9016 -24.2274 -24.2274 -23.7804 -23.7804 -18.7500 -18.7500 -17.6502 -17.6502 -17.4191 -17.4191 -2.2112 -2.2112 -1.8013 -1.8013 -1.1568 -1.1568 -0.0365 -0.0365 0.0622 0.0622 0.3424 0.3424 0.3898 0.3898 0.3920 0.3920 1.2354 1.2354 9.1752 9.1752 9.2504 9.2504 10.1251 10.1251 11.9617 11.9617 12.9252 12.9252 k = 0.3684 0.3684-0.0000 ( 2446 PWs) bands (ev): -47.8355 -47.8355 -25.8955 -25.8955 -24.2152 -24.2152 -23.7774 -23.7774 -18.7503 -18.7503 -17.6758 -17.6758 -17.4492 -17.4492 -2.1608 -2.1608 -1.7569 -1.7569 -1.1257 -1.1257 -0.0374 -0.0374 0.0751 0.0751 0.3458 0.3458 0.3933 0.3933 0.3993 0.3993 1.2190 1.2190 9.1446 9.1446 9.2201 9.2201 10.0789 10.0789 11.9303 11.9303 12.8228 12.8228 k = 0.3596 0.3596-0.0000 ( 2446 PWs) bands (ev): -47.8357 -47.8357 -25.8890 -25.8890 -24.2023 -24.2023 -23.7742 -23.7742 -18.7507 -18.7507 -17.7028 -17.7028 -17.4809 -17.4809 -2.1076 -2.1076 -1.7102 -1.7102 -1.0925 -1.0925 -0.0383 -0.0383 0.0888 0.0888 0.3493 0.3493 0.3969 0.3969 0.4070 0.4070 1.2018 1.2018 9.1124 9.1124 9.1884 9.1884 10.0299 10.0299 11.8950 11.8950 12.7240 12.7240 k = 0.3509 0.3509-0.0000 ( 2446 PWs) bands (ev): -47.8360 -47.8360 -25.8822 -25.8822 -24.1888 -24.1888 -23.7708 -23.7708 -18.7511 -18.7511 -17.7309 -17.7309 -17.5141 -17.5141 -2.0517 -2.0517 -1.6614 -1.6614 -1.0574 -1.0574 -0.0392 -0.0392 0.1032 0.1032 0.3530 0.3530 0.4008 0.4008 0.4151 0.4151 1.1839 1.1839 9.0788 9.0788 9.1552 9.1552 9.9783 9.9783 11.8553 11.8553 12.6294 12.6294 k = 0.3421 0.3421-0.0000 ( 2452 PWs) bands (ev): -47.8364 -47.8364 -25.8752 -25.8752 -24.1745 -24.1745 -23.7671 -23.7671 -18.7515 -18.7515 -17.7603 -17.7603 -17.5486 -17.5486 -1.9934 -1.9934 -1.6105 -1.6105 -1.0205 -1.0205 -0.0401 -0.0401 0.1182 0.1182 0.3568 0.3568 0.4049 0.4049 0.4236 0.4236 1.1655 1.1655 9.0438 9.0438 9.1207 9.1207 9.9242 9.9242 11.8110 11.8110 12.5394 12.5394 k = 0.3333 0.3333-0.0000 ( 2434 PWs) bands (ev): -47.8364 -47.8364 -25.8678 -25.8678 -24.1596 -24.1596 -23.7633 -23.7633 -18.7519 -18.7519 -17.7907 -17.7907 -17.5844 -17.5844 -1.9327 -1.9327 -1.5579 -1.5579 -0.9816 -0.9816 -0.0410 -0.0410 0.1340 0.1340 0.3608 0.3608 0.4093 0.4093 0.4324 0.4324 1.1466 1.1466 9.0078 9.0078 9.0851 9.0851 9.8679 9.8679 11.7616 11.7616 12.4546 12.4546 k = 0.3246 0.3246-0.0000 ( 2448 PWs) bands (ev): -47.8369 -47.8369 -25.8603 -25.8603 -24.1441 -24.1441 -23.7593 -23.7593 -18.7523 -18.7523 -17.8220 -17.8220 -17.6213 -17.6213 -1.8698 -1.8698 -1.5037 -1.5037 -0.9410 -0.9410 -0.0419 -0.0419 0.1503 0.1503 0.3650 0.3650 0.4139 0.4139 0.4415 0.4415 1.1273 1.1273 8.9705 8.9705 9.0482 9.0482 9.8094 9.8094 11.7068 11.7068 12.3753 12.3753 k = 0.3158 0.3158-0.0000 ( 2448 PWs) bands (ev): -47.8372 -47.8372 -25.8525 -25.8525 -24.1281 -24.1281 -23.7551 -23.7551 -18.7528 -18.7528 -17.8543 -17.8543 -17.6593 -17.6593 -1.8050 -1.8050 -1.4480 -1.4480 -0.8985 -0.8985 -0.0428 -0.0428 0.1672 0.1672 0.3693 0.3693 0.4188 0.4188 0.4509 0.4509 1.1076 1.1076 8.9323 8.9323 9.0104 9.0104 9.7490 9.7490 11.6467 11.6467 12.3015 12.3015 k = 0.3070 0.3070-0.0000 ( 2440 PWs) bands (ev): -47.8374 -47.8374 -25.8444 -25.8444 -24.1114 -24.1114 -23.7508 -23.7508 -18.7532 -18.7532 -17.8873 -17.8873 -17.6982 -17.6982 -1.7382 -1.7382 -1.3911 -1.3911 -0.8543 -0.8543 -0.0436 -0.0436 0.1846 0.1846 0.3737 0.3737 0.4240 0.4240 0.4606 0.4606 1.0877 1.0877 8.8932 8.8932 8.9716 8.9716 9.6868 9.6868 11.5815 11.5815 12.2331 12.2331 k = 0.2982 0.2982-0.0000 ( 2444 PWs) bands (ev): -47.8378 -47.8378 -25.8363 -25.8363 -24.0943 -24.0943 -23.7462 -23.7462 -18.7537 -18.7537 -17.9210 -17.9210 -17.7380 -17.7380 -1.6699 -1.6699 -1.3332 -1.3332 -0.8084 -0.8084 -0.0445 -0.0445 0.2026 0.2026 0.3782 0.3782 0.4294 0.4294 0.4705 0.4705 1.0677 1.0677 8.8535 8.8535 8.9321 8.9321 9.6229 9.6229 11.5116 11.5116 12.1698 12.1698 k = 0.2895 0.2895-0.0000 ( 2450 PWs) bands (ev): -47.8383 -47.8383 -25.8279 -25.8279 -24.0767 -24.0767 -23.7415 -23.7415 -18.7542 -18.7542 -17.9553 -17.9553 -17.7784 -17.7784 -1.6001 -1.6001 -1.2745 -1.2745 -0.7609 -0.7609 -0.0453 -0.0453 0.2209 0.2209 0.3829 0.3829 0.4352 0.4352 0.4807 0.4807 1.0475 1.0475 8.8131 8.8131 8.8919 8.8919 9.5577 9.5577 11.4376 11.4376 12.1109 12.1109 k = 0.2807 0.2807-0.0000 ( 2450 PWs) bands (ev): -47.8386 -47.8386 -25.8195 -25.8195 -24.0587 -24.0587 -23.7367 -23.7367 -18.7548 -18.7548 -17.9900 -17.9900 -17.8195 -17.8195 -1.5291 -1.5291 -1.2152 -1.2152 -0.7116 -0.7116 -0.0460 -0.0460 0.2397 0.2397 0.3876 0.3876 0.4412 0.4412 0.4910 0.4910 1.0274 1.0274 8.7722 8.7722 8.8512 8.8512 9.4912 9.4912 11.3604 11.3604 12.0558 12.0558 k = 0.2719 0.2719-0.0000 ( 2450 PWs) bands (ev): -47.8389 -47.8389 -25.8109 -25.8109 -24.0403 -24.0403 -23.7317 -23.7317 -18.7553 -18.7553 -18.0252 -18.0252 -17.8609 -17.8609 -1.4571 -1.4571 -1.1556 -1.1556 -0.6609 -0.6609 -0.0467 -0.0467 0.2588 0.2588 0.3924 0.3924 0.4476 0.4476 0.5016 0.5016 1.0074 1.0074 8.7310 8.7310 8.8100 8.8100 9.4238 9.4238 11.2807 11.2807 12.0038 12.0038 k = 0.2632 0.2632-0.0000 ( 2446 PWs) bands (ev): -47.8392 -47.8392 -25.8023 -25.8023 -24.0216 -24.0216 -23.7265 -23.7265 -18.7559 -18.7559 -18.0606 -18.0606 -17.9028 -17.9028 -1.3844 -1.3844 -1.0958 -1.0958 -0.6085 -0.6085 -0.0473 -0.0473 0.2782 0.2782 0.3974 0.3974 0.4543 0.4543 0.5122 0.5122 0.9875 0.9875 8.6896 8.6896 8.7684 8.7684 9.3556 9.3556 11.1992 11.1992 11.9544 11.9544 k = 0.2544 0.2544-0.0000 ( 2452 PWs) bands (ev): -47.8397 -47.8397 -25.7936 -25.7936 -24.0025 -24.0025 -23.7213 -23.7213 -18.7565 -18.7565 -18.0962 -18.0962 -17.9448 -17.9448 -1.3111 -1.3111 -1.0361 -1.0361 -0.5548 -0.5548 -0.0479 -0.0479 0.2978 0.2978 0.4024 0.4024 0.4613 0.4613 0.5230 0.5230 0.9679 0.9679 8.6481 8.6481 8.7267 8.7267 9.2868 9.2868 11.1167 11.1167 11.9070 11.9070 k = 0.2456 0.2456-0.0000 ( 2452 PWs) bands (ev): -47.8400 -47.8400 -25.7849 -25.7849 -23.9833 -23.9833 -23.7159 -23.7159 -18.7571 -18.7571 -18.1319 -18.1319 -17.9870 -17.9870 -1.2377 -1.2377 -0.9767 -0.9767 -0.4998 -0.4998 -0.0484 -0.0484 0.3176 0.3176 0.4076 0.4076 0.4687 0.4687 0.5339 0.5339 0.9486 0.9486 8.6066 8.6066 8.6848 8.6848 9.2177 9.2177 11.0336 11.0336 11.8612 11.8612 k = 0.2368 0.2368-0.0000 ( 2448 PWs) bands (ev): -47.8403 -47.8403 -25.7762 -25.7762 -23.9638 -23.9638 -23.7104 -23.7104 -18.7578 -18.7578 -18.1676 -18.1676 -18.0291 -18.0291 -1.1642 -1.1642 -0.9177 -0.9177 -0.4434 -0.4434 -0.0489 -0.0489 0.3375 0.3375 0.4129 0.4129 0.4764 0.4764 0.5448 0.5448 0.9298 0.9298 8.5653 8.5653 8.6430 8.6430 9.1484 9.1484 10.9504 10.9504 11.8167 11.8167 k = 0.2281 0.2281-0.0000 ( 2448 PWs) bands (ev): -47.8407 -47.8407 -25.7675 -25.7675 -23.9442 -23.9442 -23.7049 -23.7049 -18.7584 -18.7584 -18.2031 -18.2031 -18.0710 -18.0710 -1.0912 -1.0912 -0.8595 -0.8595 -0.3860 -0.3860 -0.0492 -0.0492 0.3575 0.3575 0.4184 0.4184 0.4845 0.4845 0.5558 0.5558 0.9115 0.9115 8.5242 8.5242 8.6014 8.6014 9.0791 9.0791 10.8675 10.8675 11.7733 11.7733 k = 0.2193 0.2193-0.0000 ( 2446 PWs) bands (ev): -47.8410 -47.8410 -25.7589 -25.7589 -23.9245 -23.9245 -23.6992 -23.6992 -18.7591 -18.7591 -18.2385 -18.2385 -18.1127 -18.1127 -1.0190 -1.0190 -0.8021 -0.8021 -0.3276 -0.3276 -0.0495 -0.0495 0.3775 0.3775 0.4242 0.4242 0.4930 0.4930 0.5668 0.5668 0.8937 0.8937 8.4835 8.4835 8.5599 8.5599 9.0102 9.0102 10.7853 10.7853 11.7309 11.7309 k = 0.2105 0.2105-0.0000 ( 2448 PWs) bands (ev): -47.8413 -47.8413 -25.7504 -25.7504 -23.9048 -23.9048 -23.6936 -23.6936 -18.7599 -18.7599 -18.2734 -18.2734 -18.1539 -18.1539 -0.9478 -0.9478 -0.7456 -0.7456 -0.2684 -0.2684 -0.0496 -0.0496 0.3974 0.3974 0.4303 0.4303 0.5017 0.5017 0.5778 0.5778 0.8766 0.8766 8.4433 8.4433 8.5189 8.5189 8.9416 8.9416 10.7041 10.7041 11.6893 11.6893 k = 0.2018 0.2018-0.0000 ( 2452 PWs) bands (ev): -47.8417 -47.8417 -25.7420 -25.7420 -23.8852 -23.8852 -23.6879 -23.6879 -18.7607 -18.7607 -18.3080 -18.3080 -18.1946 -18.1946 -0.8782 -0.8782 -0.6902 -0.6902 -0.2087 -0.2087 -0.0497 -0.0497 0.4170 0.4170 0.4369 0.4369 0.5109 0.5109 0.5887 0.5887 0.8602 0.8602 8.4037 8.4037 8.4783 8.4783 8.8738 8.8738 10.6241 10.6241 11.6485 11.6485 k = 0.1930 0.1930-0.0000 ( 2444 PWs) bands (ev): -47.8419 -47.8419 -25.7337 -25.7337 -23.8657 -23.8657 -23.6821 -23.6821 -18.7615 -18.7615 -18.3420 -18.3420 -18.2346 -18.2346 -0.8105 -0.8105 -0.6360 -0.6360 -0.1485 -0.1485 -0.0496 -0.0496 0.4359 0.4359 0.4445 0.4445 0.5204 0.5204 0.5995 0.5995 0.8445 0.8445 8.3648 8.3648 8.4383 8.4383 8.8070 8.8070 10.5456 10.5456 11.6085 11.6085 k = 0.1842 0.1842-0.0000 ( 2442 PWs) bands (ev): -47.8422 -47.8422 -25.7256 -25.7256 -23.8463 -23.8463 -23.6764 -23.6764 -18.7624 -18.7624 -18.3754 -18.3754 -18.2738 -18.2738 -0.7452 -0.7452 -0.5829 -0.5829 -0.0884 -0.0884 -0.0493 -0.0493 0.4494 0.4494 0.4578 0.4578 0.5302 0.5302 0.6102 0.6102 0.8297 0.8297 8.3267 8.3267 8.3990 8.3990 8.7412 8.7412 10.4689 10.4689 11.5694 11.5694 k = 0.1754 0.1754-0.0000 ( 2440 PWs) bands (ev): -47.8425 -47.8425 -25.7176 -25.7176 -23.8272 -23.8272 -23.6707 -23.6707 -18.7634 -18.7634 -18.4080 -18.4080 -18.3120 -18.3120 -0.6828 -0.6828 -0.5311 -0.5311 -0.0492 -0.0492 -0.0280 -0.0280 0.4582 0.4582 0.4760 0.4760 0.5403 0.5403 0.6208 0.6208 0.8157 0.8157 8.2896 8.2896 8.3606 8.3606 8.6768 8.6768 10.3941 10.3941 11.5312 11.5312 k = 0.1667 0.1667-0.0000 ( 2444 PWs) bands (ev): -47.8429 -47.8429 -25.7099 -25.7099 -23.8084 -23.8084 -23.6651 -23.6651 -18.7645 -18.7645 -18.4398 -18.4398 -18.3492 -18.3492 -0.6238 -0.6238 -0.4805 -0.4805 -0.0485 -0.0485 0.0315 0.0315 0.4673 0.4673 0.4945 0.4945 0.5508 0.5508 0.6313 0.6313 0.8025 0.8025 8.2535 8.2535 8.3230 8.3230 8.6139 8.6139 10.3214 10.3214 11.4939 11.4939 k = 0.1579 0.1579-0.0000 ( 2444 PWs) bands (ev): -47.8432 -47.8432 -25.7025 -25.7025 -23.7900 -23.7900 -23.6595 -23.6595 -18.7657 -18.7657 -18.4706 -18.4706 -18.3852 -18.3852 -0.5685 -0.5685 -0.4313 -0.4313 -0.0477 -0.0477 0.0904 0.0904 0.4773 0.4773 0.5125 0.5125 0.5615 0.5615 0.6415 0.6415 0.7903 0.7903 8.2185 8.2185 8.2864 8.2864 8.5528 8.5528 10.2510 10.2510 11.4577 11.4577 k = 0.1491 0.1491-0.0000 ( 2444 PWs) bands (ev): -47.8435 -47.8435 -25.6952 -25.6952 -23.7720 -23.7720 -23.6541 -23.6541 -18.7671 -18.7671 -18.5003 -18.5003 -18.4199 -18.4199 -0.5172 -0.5172 -0.3838 -0.3838 -0.0466 -0.0466 0.1483 0.1483 0.4883 0.4883 0.5301 0.5301 0.5725 0.5725 0.6516 0.6516 0.7790 0.7790 8.1847 8.1847 8.2509 8.2509 8.4937 8.4937 10.1831 10.1831 11.4226 11.4226 k = 0.1404 0.1404-0.0000 ( 2444 PWs) bands (ev): -47.8438 -47.8438 -25.6883 -25.6883 -23.7545 -23.7545 -23.6487 -23.6487 -18.7687 -18.7687 -18.5288 -18.5288 -18.4531 -18.4531 -0.4701 -0.4701 -0.3381 -0.3381 -0.0454 -0.0454 0.2048 0.2048 0.5004 0.5004 0.5470 0.5470 0.5838 0.5838 0.6614 0.6614 0.7686 0.7686 8.1523 8.1523 8.2165 8.2165 8.4368 8.4368 10.1180 10.1180 11.3888 11.3888 k = 0.1316 0.1316-0.0000 ( 2446 PWs) bands (ev): -47.8441 -47.8441 -25.6817 -25.6817 -23.7377 -23.7377 -23.6436 -23.6436 -18.7705 -18.7705 -18.5559 -18.5559 -18.4847 -18.4847 -0.4273 -0.4273 -0.2947 -0.2947 -0.0438 -0.0438 0.2595 0.2595 0.5138 0.5138 0.5632 0.5632 0.5953 0.5953 0.6709 0.6709 0.7591 0.7591 8.1213 8.1213 8.1832 8.1832 8.3825 8.3825 10.0557 10.0557 11.3563 11.3563 k = 0.1228 0.1228-0.0000 ( 2454 PWs) bands (ev): -47.8444 -47.8444 -25.6754 -25.6754 -23.7215 -23.7215 -23.6386 -23.6386 -18.7727 -18.7727 -18.5815 -18.5815 -18.5148 -18.5148 -0.3887 -0.3887 -0.2539 -0.2539 -0.0419 -0.0419 0.3123 0.3123 0.5285 0.5285 0.5785 0.5785 0.6071 0.6071 0.6802 0.6802 0.7505 0.7505 8.0918 8.0918 8.1512 8.1512 8.3309 8.3309 9.9965 9.9965 11.3253 11.3253 k = 0.1140 0.1140-0.0000 ( 2454 PWs) bands (ev): -47.8447 -47.8447 -25.6695 -25.6695 -23.7061 -23.7061 -23.6338 -23.6338 -18.7753 -18.7753 -18.6054 -18.6054 -18.5430 -18.5430 -0.3540 -0.3540 -0.2162 -0.2162 -0.0397 -0.0397 0.3626 0.3626 0.5445 0.5445 0.5931 0.5931 0.6189 0.6189 0.6892 0.6892 0.7428 0.7428 8.0639 8.0639 8.1204 8.1204 8.2823 8.2823 9.9405 9.9405 11.2959 11.2959 k = 0.1053 0.1053-0.0000 ( 2456 PWs) bands (ev): -47.8449 -47.8449 -25.6639 -25.6639 -23.6914 -23.6914 -23.6292 -23.6292 -18.7784 -18.7784 -18.6273 -18.6273 -18.5694 -18.5694 -0.3233 -0.3233 -0.1817 -0.1817 -0.0372 -0.0372 0.4100 0.4100 0.5614 0.5614 0.6068 0.6068 0.6310 0.6310 0.6980 0.6980 0.7360 0.7360 8.0376 8.0376 8.0909 8.0909 8.2371 8.2371 9.8880 9.8880 11.2681 11.2681 k = 0.0965 0.0965-0.0000 ( 2452 PWs) bands (ev): -47.8451 -47.8451 -25.6587 -25.6587 -23.6777 -23.6777 -23.6249 -23.6249 -18.7821 -18.7821 -18.6471 -18.6471 -18.5939 -18.5939 -0.2963 -0.2963 -0.1507 -0.1507 -0.0343 -0.0343 0.4543 0.4543 0.5792 0.5792 0.6196 0.6196 0.6431 0.6431 0.7064 0.7064 0.7300 0.7300 8.0132 8.0132 8.0625 8.0625 8.1955 8.1955 9.8389 9.8389 11.2422 11.2422 k = 0.0877 0.0877-0.0000 ( 2457 PWs) bands (ev): -47.8453 -47.8453 -25.6539 -25.6539 -23.6649 -23.6649 -23.6209 -23.6209 -18.7867 -18.7867 -18.6645 -18.6645 -18.6164 -18.6164 -0.2728 -0.2728 -0.1232 -0.1232 -0.0312 -0.0312 0.4948 0.4948 0.5973 0.5973 0.6316 0.6316 0.6553 0.6553 0.7145 0.7145 0.7249 0.7249 7.9906 7.9906 8.0354 8.0354 8.1577 8.1577 9.7936 9.7936 11.2181 11.2181 k = 0.0789 0.0789-0.0000 ( 2461 PWs) bands (ev): -47.8456 -47.8456 -25.6495 -25.6495 -23.6531 -23.6531 -23.6171 -23.6171 -18.7921 -18.7921 -18.6794 -18.6794 -18.6369 -18.6369 -0.2527 -0.2527 -0.0991 -0.0991 -0.0278 -0.0278 0.5313 0.5313 0.6151 0.6151 0.6428 0.6428 0.6679 0.6679 0.7198 0.7198 0.7231 0.7231 7.9699 7.9699 8.0095 8.0095 8.1239 8.1239 9.7521 9.7521 11.1960 11.1960 k = 0.0702 0.0702-0.0000 ( 2461 PWs) bands (ev): -47.8457 -47.8457 -25.6455 -25.6455 -23.6423 -23.6423 -23.6137 -23.6137 -18.7982 -18.7982 -18.6916 -18.6916 -18.6554 -18.6554 -0.2357 -0.2357 -0.0783 -0.0783 -0.0243 -0.0243 0.5631 0.5631 0.6316 0.6316 0.6532 0.6532 0.6811 0.6811 0.7167 0.7167 0.7302 0.7302 7.9512 7.9512 7.9851 7.9851 8.0943 8.0943 9.7146 9.7146 11.1759 11.1759 k = 0.0614 0.0614-0.0000 ( 2469 PWs) bands (ev): -47.8460 -47.8460 -25.6420 -25.6420 -23.6327 -23.6327 -23.6107 -23.6107 -18.8049 -18.8049 -18.7015 -18.7015 -18.6717 -18.6717 -0.2215 -0.2215 -0.0605 -0.0605 -0.0209 -0.0209 0.5902 0.5902 0.6461 0.6461 0.6627 0.6627 0.6951 0.6951 0.7142 0.7142 0.7374 0.7374 7.9345 7.9345 7.9624 7.9624 8.0687 8.0687 9.6812 9.6812 11.1580 11.1580 k = 0.0526 0.0526-0.0000 ( 2473 PWs) bands (ev): -47.8462 -47.8462 -25.6390 -25.6390 -23.6243 -23.6243 -23.6080 -23.6080 -18.8118 -18.8118 -18.7091 -18.7091 -18.6859 -18.6859 -0.2099 -0.2099 -0.0456 -0.0456 -0.0175 -0.0175 0.6123 0.6123 0.6579 0.6579 0.6710 0.6710 0.7088 0.7088 0.7139 0.7139 0.7442 0.7442 7.9199 7.9199 7.9417 7.9417 8.0472 8.0472 9.6520 9.6520 11.1423 11.1423 k = 0.0439 0.0439-0.0000 ( 2477 PWs) bands (ev): -47.8464 -47.8464 -25.6363 -25.6363 -23.6170 -23.6170 -23.6057 -23.6057 -18.8185 -18.8185 -18.7148 -18.7148 -18.6980 -18.6980 -0.2007 -0.2007 -0.0334 -0.0334 -0.0144 -0.0144 0.6299 0.6299 0.6673 0.6673 0.6777 0.6777 0.7114 0.7114 0.7259 0.7259 0.7505 0.7505 7.9075 7.9075 7.9234 7.9234 8.0294 8.0294 9.6272 9.6272 11.1290 11.1290 k = 0.0351 0.0351-0.0000 ( 2485 PWs) bands (ev): -47.8466 -47.8466 -25.6342 -25.6342 -23.6111 -23.6111 -23.6038 -23.6038 -18.8246 -18.8246 -18.7190 -18.7190 -18.7079 -18.7079 -0.1935 -0.1935 -0.0236 -0.0236 -0.0118 -0.0118 0.6431 0.6431 0.6747 0.6747 0.6824 0.6824 0.7123 0.7123 0.7397 0.7397 0.7562 0.7562 7.8973 7.8973 7.9078 7.9078 8.0152 8.0152 9.6067 9.6067 11.1179 11.1179 k = 0.0263 0.0263-0.0000 ( 2481 PWs) bands (ev): -47.8466 -47.8466 -25.6325 -25.6325 -23.6064 -23.6064 -23.6023 -23.6023 -18.8296 -18.8296 -18.7220 -18.7220 -18.7156 -18.7156 -0.1881 -0.1881 -0.0161 -0.0161 -0.0096 -0.0096 0.6526 0.6526 0.6804 0.6804 0.6853 0.6853 0.7139 0.7139 0.7515 0.7515 0.7610 0.7610 7.8893 7.8893 7.8954 7.8954 8.0044 8.0044 9.5907 9.5907 11.1093 11.1093 k = 0.0175 0.0175-0.0000 ( 2481 PWs) bands (ev): -47.8466 -47.8466 -25.6313 -25.6313 -23.6031 -23.6031 -23.6012 -23.6012 -18.8334 -18.8334 -18.7240 -18.7240 -18.7211 -18.7211 -0.1845 -0.1845 -0.0108 -0.0108 -0.0079 -0.0079 0.6590 0.6590 0.6844 0.6844 0.6868 0.6868 0.7156 0.7156 0.7604 0.7604 0.7647 0.7647 7.8836 7.8836 7.8864 7.8864 7.9968 7.9968 9.5793 9.5793 11.1031 11.1031 k = 0.0088 0.0088-0.0000 ( 2473 PWs) bands (ev): -47.8465 -47.8465 -25.6306 -25.6306 -23.6010 -23.6010 -23.6006 -23.6006 -18.8358 -18.8358 -18.7251 -18.7251 -18.7244 -18.7244 -0.1823 -0.1823 -0.0077 -0.0077 -0.0069 -0.0069 0.6626 0.6626 0.6869 0.6869 0.6875 0.6875 0.7170 0.7170 0.7659 0.7659 0.7670 0.7670 7.8802 7.8802 7.8809 7.8809 7.9922 7.9922 9.5724 9.5724 11.0994 11.0994 k = 0.0000 0.0000 0.0000 ( 2469 PWs) bands (ev): -47.8465 -47.8465 -25.6303 -25.6303 -23.6003 -23.6003 -23.6003 -23.6003 -18.8366 -18.8366 -18.7255 -18.7255 -18.7255 -18.7255 -0.1816 -0.1816 -0.0066 -0.0066 -0.0066 -0.0066 0.6638 0.6638 0.6877 0.6877 0.6877 0.6877 0.7175 0.7175 0.7678 0.7678 0.7678 0.7678 7.8790 7.8790 7.8790 7.8790 7.9907 7.9907 9.5701 9.5701 11.0982 11.0982 k = 0.0000 0.0000 0.0000 ( 2469 PWs) bands (ev): -47.8465 -47.8465 -25.6303 -25.6303 -23.6003 -23.6003 -23.6003 -23.6003 -18.8366 -18.8366 -18.7255 -18.7255 -18.7255 -18.7255 -0.1816 -0.1816 -0.0066 -0.0066 -0.0066 -0.0066 0.6638 0.6638 0.6877 0.6877 0.6877 0.6877 0.7175 0.7175 0.7678 0.7678 0.7678 0.7678 7.8790 7.8790 7.8790 7.8790 7.9907 7.9907 9.5701 9.5701 11.0982 11.0982 k = 0.0071 0.0071 0.0071 ( 2475 PWs) bands (ev): -47.8466 -47.8466 -25.6306 -25.6306 -23.6008 -23.6008 -23.6008 -23.6008 -18.8358 -18.8358 -18.7248 -18.7248 -18.7247 -18.7247 -0.1823 -0.1823 -0.0074 -0.0074 -0.0072 -0.0072 0.6626 0.6626 0.6868 0.6868 0.6875 0.6875 0.7170 0.7170 0.7664 0.7664 0.7665 0.7665 7.8805 7.8805 7.8806 7.8806 7.9922 7.9922 9.5724 9.5724 11.1005 11.1005 k = 0.0143 0.0143 0.0143 ( 2481 PWs) bands (ev): -47.8466 -47.8466 -25.6313 -25.6313 -23.6021 -23.6021 -23.6021 -23.6021 -18.8334 -18.8334 -18.7229 -18.7229 -18.7222 -18.7222 -0.1844 -0.1844 -0.0097 -0.0097 -0.0090 -0.0090 0.6591 0.6591 0.6842 0.6842 0.6869 0.6869 0.7157 0.7157 0.7622 0.7622 0.7628 0.7628 7.8848 7.8848 7.8851 7.8851 7.9967 7.9967 9.5792 9.5792 11.1075 11.1076 k = 0.0214 0.0214 0.0214 ( 2481 PWs) bands (ev): -47.8466 -47.8466 -25.6325 -25.6325 -23.6044 -23.6044 -23.6043 -23.6043 -18.8295 -18.8295 -18.7197 -18.7197 -18.7182 -18.7182 -0.1880 -0.1880 -0.0137 -0.0137 -0.0120 -0.0120 0.6531 0.6531 0.6798 0.6798 0.6855 0.6855 0.7142 0.7142 0.7553 0.7553 0.7569 0.7569 7.8920 7.8920 7.8928 7.8928 8.0041 8.0041 9.5906 9.5906 11.1193 11.1194 k = 0.0286 0.0286 0.0286 ( 2487 PWs) bands (ev): -47.8466 -47.8466 -25.6342 -25.6342 -23.6075 -23.6075 -23.6074 -23.6074 -18.8239 -18.8239 -18.7152 -18.7152 -18.7125 -18.7125 -0.1930 -0.1930 -0.0192 -0.0192 -0.0163 -0.0163 0.6444 0.6444 0.6733 0.6733 0.6824 0.6824 0.7131 0.7131 0.7461 0.7461 0.7491 0.7491 7.9021 7.9021 7.9034 7.9034 8.0145 8.0145 9.6066 9.6066 11.1357 11.1360 k = 0.0357 0.0357 0.0357 ( 2481 PWs) bands (ev): -47.8464 -47.8464 -25.6363 -25.6363 -23.6115 -23.6115 -23.6113 -23.6113 -18.8169 -18.8169 -18.7093 -18.7093 -18.7052 -18.7052 -0.1996 -0.1996 -0.0263 -0.0263 -0.0220 -0.0220 0.6331 0.6331 0.6646 0.6646 0.6770 0.6770 0.7132 0.7132 0.7348 0.7348 0.7398 0.7398 7.9150 7.9150 7.9170 7.9170 8.0279 8.0279 9.6270 9.6270 11.1564 11.1572 k = 0.0429 0.0429 0.0429 ( 2475 PWs) bands (ev): -47.8462 -47.8462 -25.6389 -25.6389 -23.6163 -23.6163 -23.6160 -23.6160 -18.8083 -18.8083 -18.7022 -18.7022 -18.6964 -18.6964 -0.2077 -0.2077 -0.0350 -0.0350 -0.0293 -0.0293 0.6189 0.6189 0.6531 0.6531 0.6687 0.6687 0.7147 0.7147 0.7223 0.7223 0.7297 0.7297 7.9306 7.9306 7.9336 7.9336 8.0441 8.0441 9.6519 9.6519 11.1817 11.1818 k = 0.0500 0.0500 0.0500 ( 2469 PWs) bands (ev): -47.8460 -47.8460 -25.6420 -25.6420 -23.6219 -23.6219 -23.6216 -23.6216 -18.7983 -18.7983 -18.6938 -18.6938 -18.6860 -18.6860 -0.2174 -0.2174 -0.0454 -0.0454 -0.0382 -0.0382 0.6019 0.6019 0.6384 0.6384 0.6569 0.6569 0.7095 0.7095 0.7176 0.7176 0.7195 0.7195 7.9490 7.9490 7.9530 7.9530 8.0631 8.0631 9.6812 9.6812 11.2116 11.2130 k = 0.0571 0.0571 0.0571 ( 2469 PWs) bands (ev): -47.8459 -47.8459 -25.6455 -25.6455 -23.6284 -23.6284 -23.6280 -23.6280 -18.7869 -18.7869 -18.6841 -18.6841 -18.6741 -18.6741 -0.2289 -0.2289 -0.0576 -0.0576 -0.0490 -0.0490 0.5822 0.5822 0.6203 0.6203 0.6409 0.6409 0.6977 0.6977 0.7098 0.7098 0.7213 0.7213 7.9700 7.9700 7.9753 7.9753 8.0848 8.0848 9.7148 9.7148 11.2466 11.2473 k = 0.0643 0.0643 0.0643 ( 2463 PWs) bands (ev): -47.8456 -47.8456 -25.6494 -25.6494 -23.6357 -23.6357 -23.6351 -23.6351 -18.7741 -18.7741 -18.6731 -18.6731 -18.6607 -18.6607 -0.2422 -0.2422 -0.0715 -0.0715 -0.0618 -0.0618 0.5598 0.5598 0.5987 0.5987 0.6205 0.6205 0.6876 0.6876 0.7010 0.7010 0.7259 0.7259 7.9935 7.9935 8.0002 8.0002 8.1092 8.1092 9.7527 9.7527 11.2853 11.2866 k = 0.0714 0.0714 0.0714 ( 2460 PWs) bands (ev): -47.8454 -47.8454 -25.6538 -25.6538 -23.6437 -23.6437 -23.6430 -23.6430 -18.7600 -18.7600 -18.6607 -18.6607 -18.6458 -18.6458 -0.2573 -0.2573 -0.0872 -0.0872 -0.0768 -0.0768 0.5350 0.5350 0.5738 0.5738 0.5960 0.5960 0.6792 0.6792 0.6933 0.6933 0.7313 0.7313 8.0196 8.0196 8.0278 8.0278 8.1363 8.1363 9.7947 9.7947 11.3268 11.3285 k = 0.0786 0.0786 0.0786 ( 2460 PWs) bands (ev): -47.8452 -47.8452 -25.6586 -25.6586 -23.6525 -23.6525 -23.6517 -23.6517 -18.7447 -18.7447 -18.6471 -18.6471 -18.6295 -18.6295 -0.2742 -0.2742 -0.1048 -0.1048 -0.0942 -0.0942 0.5078 0.5078 0.5458 0.5458 0.5680 0.5680 0.6722 0.6722 0.6867 0.6867 0.7374 0.7374 8.0481 8.0481 8.0580 8.0580 8.1659 8.1659 9.8408 9.8408 11.3726 11.3726 k = 0.0857 0.0857 0.0857 ( 2448 PWs) bands (ev): -47.8448 -47.8448 -25.6638 -25.6638 -23.6620 -23.6620 -23.6610 -23.6610 -18.7283 -18.7283 -18.6320 -18.6320 -18.6119 -18.6119 -0.2932 -0.2932 -0.1243 -0.1243 -0.1141 -0.1141 0.4784 0.4784 0.5151 0.5151 0.5371 0.5371 0.6665 0.6665 0.6814 0.6814 0.7441 0.7441 8.0789 8.0789 8.0907 8.0907 8.1979 8.1979 9.8909 9.8909 11.4234 11.4274 k = 0.0929 0.0929 0.0929 ( 2448 PWs) bands (ev): -47.8446 -47.8446 -25.6694 -25.6694 -23.6721 -23.6721 -23.6710 -23.6710 -18.7108 -18.7108 -18.6157 -18.6157 -18.5929 -18.5929 -0.3142 -0.3142 -0.1456 -0.1456 -0.1367 -0.1367 0.4469 0.4469 0.4820 0.4820 0.5035 0.5035 0.6621 0.6621 0.6774 0.6774 0.7515 0.7515 8.1118 8.1118 8.1256 8.1256 8.2322 8.2322 9.9449 9.9449 11.4768 11.4768 k = 0.1000 0.1000 0.1000 ( 2448 PWs) bands (ev): -47.8443 -47.8443 -25.6754 -25.6754 -23.6829 -23.6829 -23.6816 -23.6816 -18.6924 -18.6924 -18.5980 -18.5980 -18.5726 -18.5726 -0.3373 -0.3373 -0.1689 -0.1689 -0.1621 -0.1621 0.4136 0.4136 0.4467 0.4467 0.4677 0.4677 0.6589 0.6589 0.6747 0.6747 0.7594 0.7594 8.1469 8.1469 8.1629 8.1629 8.2688 8.2688 10.0026 10.0026 11.5343 11.5343 k = 0.1071 0.1071 0.1071 ( 2445 PWs) bands (ev): -47.8440 -47.8440 -25.6817 -25.6817 -23.6943 -23.6943 -23.6929 -23.6929 -18.6730 -18.6730 -18.5789 -18.5789 -18.5510 -18.5510 -0.3625 -0.3625 -0.1939 -0.1939 -0.1905 -0.1905 0.3784 0.3784 0.4096 0.4096 0.4299 0.4299 0.6571 0.6571 0.6734 0.6734 0.7679 0.7679 8.1841 8.1841 8.2023 8.2023 8.3075 8.3075 10.0639 10.0639 11.5952 11.5952 k = 0.1143 0.1143 0.1143 ( 2445 PWs) bands (ev): -47.8437 -47.8437 -25.6884 -25.6884 -23.7062 -23.7062 -23.7047 -23.7047 -18.6529 -18.6529 -18.5585 -18.5585 -18.5283 -18.5283 -0.3900 -0.3900 -0.2217 -0.2217 -0.2207 -0.2207 0.3416 0.3416 0.3709 0.3709 0.3903 0.3903 0.6565 0.6565 0.6734 0.6734 0.7769 0.7769 8.2232 8.2232 8.2437 8.2437 8.3483 8.3483 10.1288 10.1288 11.6593 11.6593 k = 0.1214 0.1214 0.1214 ( 2445 PWs) bands (ev): -47.8434 -47.8434 -25.6954 -25.6954 -23.7187 -23.7187 -23.7170 -23.7170 -18.6321 -18.6321 -18.5367 -18.5367 -18.5045 -18.5045 -0.4198 -0.4198 -0.2559 -0.2559 -0.2491 -0.2491 0.3032 0.3032 0.3308 0.3308 0.3491 0.3491 0.6574 0.6574 0.6750 0.6750 0.7864 0.7864 8.2641 8.2641 8.2871 8.2871 8.3911 8.3911 10.1970 10.1970 11.7265 11.7265 k = 0.1286 0.1286 0.1286 ( 2448 PWs) bands (ev): -47.8432 -47.8432 -25.7027 -25.7027 -23.7317 -23.7317 -23.7298 -23.7298 -18.6106 -18.6106 -18.5136 -18.5136 -18.4795 -18.4795 -0.4519 -0.4519 -0.2930 -0.2930 -0.2789 -0.2789 0.2634 0.2634 0.2895 0.2895 0.3067 0.3067 0.6597 0.6597 0.6780 0.6780 0.7964 0.7964 8.3068 8.3068 8.3323 8.3323 8.4356 8.4356 10.2684 10.2684 11.7966 11.7966 k = 0.1357 0.1357 0.1357 ( 2445 PWs) bands (ev): -47.8428 -47.8428 -25.7103 -25.7103 -23.7451 -23.7451 -23.7431 -23.7431 -18.5886 -18.5886 -18.4892 -18.4892 -18.4536 -18.4536 -0.4865 -0.4865 -0.3330 -0.3330 -0.3099 -0.3099 0.2221 0.2221 0.2472 0.2472 0.2631 0.2631 0.6634 0.6634 0.6824 0.6824 0.8069 0.8069 8.3512 8.3512 8.3791 8.3791 8.4819 8.4819 10.3430 10.3430 11.8695 11.8695 k = 0.1429 0.1429 0.1429 ( 2451 PWs) bands (ev): -47.8426 -47.8426 -25.7182 -25.7182 -23.7589 -23.7589 -23.7568 -23.7568 -18.5661 -18.5661 -18.4635 -18.4635 -18.4266 -18.4266 -0.5235 -0.5235 -0.3756 -0.3756 -0.3419 -0.3419 0.1794 0.1794 0.2040 0.2040 0.2188 0.2188 0.6684 0.6684 0.6883 0.6883 0.8179 0.8179 8.3971 8.3971 8.4276 8.4276 8.5298 8.5298 10.4205 10.4205 11.9449 11.9449 k = 0.1500 0.1500 0.1500 ( 2448 PWs) bands (ev): -47.8422 -47.8422 -25.7263 -25.7263 -23.7731 -23.7731 -23.7709 -23.7709 -18.5430 -18.5430 -18.4366 -18.4366 -18.3988 -18.3988 -0.5630 -0.5630 -0.4209 -0.4209 -0.3748 -0.3748 0.1355 0.1355 0.1601 0.1601 0.1738 0.1738 0.6749 0.6749 0.6955 0.6955 0.8293 0.8293 8.4444 8.4444 8.4775 8.4775 8.5793 8.5793 10.5008 10.5008 12.0228 12.0228 k = 0.1571 0.1571 0.1571 ( 2448 PWs) bands (ev): -47.8419 -47.8419 -25.7347 -25.7347 -23.7876 -23.7876 -23.7853 -23.7853 -18.5196 -18.5196 -18.4086 -18.4086 -18.3701 -18.3701 -0.6048 -0.6048 -0.4685 -0.4685 -0.4084 -0.4084 0.0902 0.0902 0.1157 0.1157 0.1285 0.1285 0.6827 0.6827 0.7040 0.7040 0.8411 0.8411 8.4932 8.4932 8.5288 8.5288 8.6301 8.6301 10.5838 10.5838 12.1029 12.1029 k = 0.1643 0.1643 0.1643 ( 2448 PWs) bands (ev): -47.8415 -47.8415 -25.7432 -25.7432 -23.8025 -23.8025 -23.8000 -23.8000 -18.4957 -18.4957 -18.3796 -18.3796 -18.3406 -18.3406 -0.6490 -0.6490 -0.5185 -0.5185 -0.4425 -0.4425 0.0437 0.0437 0.0708 0.0708 0.0830 0.0830 0.6917 0.6917 0.7138 0.7138 0.8532 0.8532 8.5432 8.5432 8.5813 8.5813 8.6822 8.6822 10.6693 10.6693 12.1851 12.1851 k = 0.1714 0.1714 0.1714 ( 2448 PWs) bands (ev): -47.8411 -47.8411 -25.7520 -25.7520 -23.8175 -23.8175 -23.8150 -23.8150 -18.4714 -18.4714 -18.3495 -18.3495 -18.3104 -18.3104 -0.6954 -0.6954 -0.5705 -0.5705 -0.4771 -0.4771 -0.0039 -0.0039 0.0256 0.0256 0.0375 0.0375 0.7020 0.7020 0.7247 0.7247 0.8658 0.8658 8.5944 8.5944 8.6349 8.6349 8.7354 8.7354 10.7572 10.7572 12.2691 12.2691 k = 0.1786 0.1786 0.1786 ( 2461 PWs) bands (ev): -47.8410 -47.8410 -25.7609 -25.7609 -23.8329 -23.8329 -23.8302 -23.8302 -18.4468 -18.4468 -18.3186 -18.3186 -18.2796 -18.2796 -0.7439 -0.7439 -0.6244 -0.6244 -0.5121 -0.5121 -0.0524 -0.0524 -0.0198 -0.0198 -0.0080 -0.0080 0.7133 0.7133 0.7367 0.7367 0.8787 0.8787 8.6467 8.6467 8.6894 8.6894 8.7897 8.7897 10.8474 10.8474 12.3549 12.3549 k = 0.1857 0.1857 0.1857 ( 2455 PWs) bands (ev): -47.8405 -47.8405 -25.7700 -25.7700 -23.8483 -23.8483 -23.8456 -23.8456 -18.4219 -18.4219 -18.2869 -18.2869 -18.2481 -18.2481 -0.7942 -0.7942 -0.6800 -0.6800 -0.5473 -0.5473 -0.1016 -0.1016 -0.0654 -0.0654 -0.0534 -0.0534 0.7258 0.7258 0.7498 0.7498 0.8919 0.8919 8.7000 8.7000 8.7449 8.7449 8.8450 8.8450 10.9396 10.9396 12.4423 12.4423 k = 0.1929 0.1929 0.1929 ( 2446 PWs) bands (ev): -47.8399 -47.8399 -25.7792 -25.7792 -23.8639 -23.8639 -23.8612 -23.8612 -18.3967 -18.3967 -18.2544 -18.2544 -18.2161 -18.2161 -0.8461 -0.8461 -0.7370 -0.7370 -0.5829 -0.5829 -0.1514 -0.1514 -0.1110 -0.1110 -0.0987 -0.0987 0.7392 0.7392 0.7637 0.7637 0.9054 0.9054 8.7542 8.7542 8.8012 8.8012 8.9011 8.9011 11.0339 11.0339 12.5311 12.5311 k = 0.2000 0.2000 0.2000 ( 2440 PWs) bands (ev): -47.8394 -47.8394 -25.7885 -25.7885 -23.8796 -23.8796 -23.8768 -23.8768 -18.3711 -18.3711 -18.2214 -18.2214 -18.1836 -18.1836 -0.8995 -0.8995 -0.7953 -0.7953 -0.6188 -0.6188 -0.2014 -0.2014 -0.1565 -0.1565 -0.1438 -0.1438 0.7535 0.7535 0.7786 0.7786 0.9192 0.9192 8.8092 8.8092 8.8581 8.8581 8.9579 8.9579 11.1300 11.1300 12.6211 12.6211 k = 0.2071 0.2071 0.2071 ( 2446 PWs) bands (ev): -47.8391 -47.8391 -25.7980 -25.7980 -23.8955 -23.8955 -23.8926 -23.8926 -18.3454 -18.3454 -18.1878 -18.1878 -18.1507 -18.1507 -0.9542 -0.9542 -0.8547 -0.8547 -0.6550 -0.6550 -0.2515 -0.2515 -0.2020 -0.2020 -0.1888 -0.1888 0.7687 0.7687 0.7941 0.7941 0.9332 0.9332 8.8649 8.8649 8.9155 8.9155 9.0152 9.0152 11.2277 11.2277 12.7122 12.7122 k = 0.2143 0.2143 0.2143 ( 2440 PWs) bands (ev): -47.8386 -47.8386 -25.8074 -25.8074 -23.9113 -23.9113 -23.9084 -23.9084 -18.3194 -18.3194 -18.1537 -18.1537 -18.1175 -18.1175 -1.0099 -1.0099 -0.9150 -0.9150 -0.6914 -0.6914 -0.3015 -0.3015 -0.2472 -0.2472 -0.2336 -0.2336 0.7846 0.7846 0.8104 0.8104 0.9475 0.9475 8.9212 8.9212 8.9734 8.9734 9.0731 9.0731 11.3271 11.3271 12.8042 12.8042 k = 0.2214 0.2214 0.2214 ( 2446 PWs) bands (ev): -47.8383 -47.8383 -25.8170 -25.8170 -23.9271 -23.9271 -23.9242 -23.9242 -18.2933 -18.2933 -18.1193 -18.1193 -18.0840 -18.0840 -1.0665 -1.0665 -0.9761 -0.9761 -0.7282 -0.7282 -0.3513 -0.3513 -0.2922 -0.2922 -0.2781 -0.2781 0.8012 0.8012 0.8274 0.8274 0.9619 0.9619 8.9780 8.9780 9.0315 9.0315 9.1314 9.1314 11.4279 11.4279 12.8969 12.8969 k = 0.2286 0.2286 0.2286 ( 2449 PWs) bands (ev): -47.8379 -47.8379 -25.8265 -25.8265 -23.9429 -23.9429 -23.9400 -23.9400 -18.2670 -18.2670 -18.0846 -18.0846 -18.0503 -18.0503 -1.1237 -1.1237 -1.0376 -1.0376 -0.7652 -0.7652 -0.4006 -0.4006 -0.3369 -0.3369 -0.3223 -0.3223 0.8184 0.8184 0.8448 0.8448 0.9765 0.9765 9.0352 9.0352 9.0899 9.0899 9.1898 9.1898 11.5299 11.5299 12.9903 12.9903 k = 0.2357 0.2357 0.2357 ( 2443 PWs) bands (ev): -47.8374 -47.8374 -25.8361 -25.8361 -23.9587 -23.9587 -23.9558 -23.9558 -18.2407 -18.2407 -18.0497 -18.0497 -18.0165 -18.0165 -1.1815 -1.1815 -1.0995 -1.0995 -0.8026 -0.8026 -0.4492 -0.4492 -0.3812 -0.3812 -0.3661 -0.3661 0.8361 0.8361 0.8628 0.8628 0.9912 0.9912 9.0927 9.0927 9.1484 9.1484 9.2485 9.2485 11.6332 11.6332 13.0841 13.0841 k = 0.2429 0.2429 0.2429 ( 2443 PWs) bands (ev): -47.8370 -47.8370 -25.8457 -25.8457 -23.9743 -23.9743 -23.9715 -23.9715 -18.2142 -18.2142 -18.0146 -18.0146 -17.9826 -17.9826 -1.2395 -1.2395 -1.1616 -1.1616 -0.8403 -0.8403 -0.4970 -0.4970 -0.4250 -0.4250 -0.4095 -0.4095 0.8543 0.8543 0.8812 0.8812 1.0060 1.0060 9.1504 9.1504 9.2069 9.2069 9.3072 9.3072 11.7374 11.7374 13.1782 13.1782 k = 0.2500 0.2500 0.2500 ( 2455 PWs) bands (ev): -47.8367 -47.8367 -25.8552 -25.8552 -23.9899 -23.9899 -23.9870 -23.9870 -18.1878 -18.1878 -17.9794 -17.9794 -17.9486 -17.9486 -1.2977 -1.2977 -1.2237 -1.2237 -0.8783 -0.8783 -0.5440 -0.5440 -0.4684 -0.4684 -0.4524 -0.4524 0.8729 0.8729 0.9000 0.9000 1.0209 1.0209 9.2081 9.2081 9.2653 9.2653 9.3659 9.3659 11.8424 11.8424 13.2724 13.2724 k = 0.2571 0.2571 0.2571 ( 2443 PWs) bands (ev): -47.8361 -47.8361 -25.8647 -25.8647 -24.0053 -24.0053 -24.0024 -24.0024 -18.1614 -18.1614 -17.9443 -17.9443 -17.9147 -17.9147 -1.3558 -1.3558 -1.2857 -1.2857 -0.9167 -0.9167 -0.5898 -0.5898 -0.5112 -0.5112 -0.4948 -0.4948 0.8918 0.8918 0.9191 0.9191 1.0359 1.0359 9.2659 9.2659 9.3235 9.3235 9.4244 9.4244 11.9481 11.9481 13.3667 13.3667 k = 0.2643 0.2643 0.2643 ( 2443 PWs) bands (ev): -47.8357 -47.8357 -25.8741 -25.8741 -24.0205 -24.0205 -24.0177 -24.0177 -18.1351 -18.1351 -17.9092 -17.9092 -17.8809 -17.8809 -1.4138 -1.4138 -1.3475 -1.3475 -0.9555 -0.9555 -0.6343 -0.6343 -0.5533 -0.5533 -0.5366 -0.5366 0.9110 0.9110 0.9384 0.9384 1.0508 1.0508 9.3236 9.3236 9.3813 9.3813 9.4826 9.4826 12.0543 12.0543 13.4608 13.4608 k = 0.2714 0.2714 0.2714 ( 2443 PWs) bands (ev): -47.8353 -47.8353 -25.8835 -25.8835 -24.0355 -24.0355 -24.0328 -24.0328 -18.1089 -18.1089 -17.8743 -17.8743 -17.8473 -17.8473 -1.4715 -1.4715 -1.4088 -1.4088 -0.9945 -0.9945 -0.6776 -0.6776 -0.5948 -0.5948 -0.5777 -0.5777 0.9304 0.9304 0.9579 0.9579 1.0658 1.0658 9.3811 9.3811 9.4388 9.4388 9.5405 9.5405 12.1608 12.1608 13.5546 13.5546 k = 0.2786 0.2786 0.2786 ( 2449 PWs) bands (ev): -47.8349 -47.8349 -25.8927 -25.8927 -24.0503 -24.0503 -24.0477 -24.0477 -18.0829 -18.0829 -17.8397 -17.8397 -17.8140 -17.8140 -1.5287 -1.5287 -1.4696 -1.4696 -1.0338 -1.0338 -0.7194 -0.7194 -0.6356 -0.6356 -0.6181 -0.6181 0.9500 0.9500 0.9775 0.9775 1.0807 1.0807 9.4383 9.4383 9.4957 9.4957 9.5978 9.5978 12.2672 12.2672 13.6480 13.6480 k = 0.2857 0.2857 0.2857 ( 2455 PWs) bands (ev): -47.8346 -47.8346 -25.9019 -25.9019 -24.0648 -24.0648 -24.0623 -24.0623 -18.0571 -18.0571 -17.8053 -17.8053 -17.7809 -17.7809 -1.5853 -1.5853 -1.5297 -1.5297 -1.0734 -1.0734 -0.7597 -0.7597 -0.6755 -0.6755 -0.6578 -0.6578 0.9696 0.9696 0.9971 0.9971 1.0955 1.0955 9.4951 9.4951 9.5520 9.5520 9.6547 9.6547 12.3734 12.3734 13.7409 13.7409 k = 0.2929 0.2929 0.2929 ( 2449 PWs) bands (ev): -47.8341 -47.8341 -25.9108 -25.9108 -24.0791 -24.0791 -24.0766 -24.0766 -18.0316 -18.0316 -17.7713 -17.7713 -17.7482 -17.7482 -1.6412 -1.6412 -1.5890 -1.5890 -1.1131 -1.1131 -0.7985 -0.7985 -0.7147 -0.7147 -0.6966 -0.6966 0.9893 0.9893 1.0168 1.0168 1.1102 1.1102 9.5513 9.5513 9.6076 9.6076 9.7108 9.7108 12.4790 12.4790 13.8330 13.8330 k = 0.3000 0.3000 0.3000 ( 2443 PWs) bands (ev): -47.8336 -47.8336 -25.9196 -25.9196 -24.0930 -24.0930 -24.0906 -24.0906 -18.0063 -18.0063 -17.7377 -17.7377 -17.7159 -17.7159 -1.6963 -1.6963 -1.6474 -1.6474 -1.1528 -1.1528 -0.8356 -0.8356 -0.7529 -0.7529 -0.7346 -0.7346 1.0089 1.0089 1.0364 1.0364 1.1248 1.1248 9.6070 9.6070 9.6623 9.6623 9.7662 9.7662 12.5836 12.5836 13.9244 13.9244 k = 0.3071 0.3071 0.3071 ( 2449 PWs) bands (ev): -47.8333 -47.8333 -25.9283 -25.9283 -24.1067 -24.1067 -24.1044 -24.1044 -17.9815 -17.9815 -17.7046 -17.7046 -17.6841 -17.6841 -1.7505 -1.7505 -1.7047 -1.7047 -1.1926 -1.1926 -0.8712 -0.8712 -0.7903 -0.7903 -0.7716 -0.7716 1.0284 1.0284 1.0559 1.0559 1.1393 1.1393 9.6618 9.6618 9.7162 9.7162 9.8207 9.8207 12.6868 12.6868 14.0147 14.0147 k = 0.3143 0.3143 0.3143 ( 2440 PWs) bands (ev): -47.8327 -47.8327 -25.9368 -25.9368 -24.1200 -24.1200 -24.1178 -24.1178 -17.9570 -17.9570 -17.6720 -17.6720 -17.6529 -17.6529 -1.8036 -1.8036 -1.7609 -1.7609 -1.2321 -1.2321 -0.9052 -0.9052 -0.8267 -0.8267 -0.8077 -0.8077 1.0478 1.0478 1.0753 1.0753 1.1535 1.1535 9.7160 9.7160 9.7691 9.7691 9.8742 9.8742 12.7879 12.7879 14.1040 14.1040 k = 0.3214 0.3214 0.3214 ( 2440 PWs) bands (ev): -47.8323 -47.8323 -25.9451 -25.9451 -24.1330 -24.1330 -24.1309 -24.1309 -17.9330 -17.9330 -17.6401 -17.6401 -17.6222 -17.6222 -1.8555 -1.8555 -1.8159 -1.8159 -1.2714 -1.2714 -0.9377 -0.9377 -0.8620 -0.8620 -0.8428 -0.8428 1.0669 1.0669 1.0944 1.0944 1.1676 1.1676 9.7691 9.7691 9.8208 9.8208 9.9267 9.9267 12.8865 12.8865 14.1920 14.1920 k = 0.3286 0.3286 0.3286 ( 2431 PWs) bands (ev): -47.8318 -47.8318 -25.9531 -25.9531 -24.1455 -24.1455 -24.1436 -24.1436 -17.9095 -17.9095 -17.6089 -17.6089 -17.5923 -17.5923 -1.9062 -1.9062 -1.8695 -1.8695 -1.3102 -1.3102 -0.9686 -0.9686 -0.8963 -0.8963 -0.8768 -0.8768 1.0858 1.0858 1.1132 1.1132 1.1814 1.1814 9.8213 9.8213 9.8714 9.8714 9.9780 9.9780 12.9816 12.9816 14.2786 14.2786 k = 0.3357 0.3357 0.3357 ( 2431 PWs) bands (ev): -47.8315 -47.8315 -25.9610 -25.9610 -24.1577 -24.1577 -24.1559 -24.1559 -17.8866 -17.8866 -17.5784 -17.5784 -17.5630 -17.5630 -1.9556 -1.9556 -1.9217 -1.9217 -1.3485 -1.3485 -0.9981 -0.9981 -0.9295 -0.9295 -0.9097 -0.9097 1.1044 1.1044 1.1318 1.1318 1.1949 1.1949 9.8724 9.8724 9.9207 9.9207 10.0280 10.0280 13.0725 13.0725 14.3637 14.3637 k = 0.3429 0.3429 0.3429 ( 2428 PWs) bands (ev): -47.8311 -47.8311 -25.9686 -25.9686 -24.1695 -24.1695 -24.1678 -24.1678 -17.8642 -17.8642 -17.5487 -17.5487 -17.5345 -17.5345 -2.0035 -2.0035 -1.9724 -1.9724 -1.3860 -1.3860 -1.0261 -1.0261 -0.9616 -0.9616 -0.9415 -0.9415 1.1225 1.1225 1.1499 1.1499 1.2081 1.2081 9.9222 9.9222 9.9686 9.9686 10.0768 10.0768 13.1581 13.1581 14.4471 14.4471 k = 0.3500 0.3500 0.3500 ( 2428 PWs) bands (ev): -47.8307 -47.8307 -25.9760 -25.9760 -24.1808 -24.1808 -24.1792 -24.1792 -17.8425 -17.8425 -17.5199 -17.5199 -17.5069 -17.5069 -2.0499 -2.0499 -2.0214 -2.0214 -1.4228 -1.4228 -1.0527 -1.0527 -0.9925 -0.9925 -0.9721 -0.9721 1.1403 1.1403 1.1677 1.1677 1.2210 1.2210 9.9708 9.9708 10.0150 10.0150 10.1241 10.1241 13.2374 13.2374 14.5287 14.5287 k = 0.3571 0.3571 0.3571 ( 2434 PWs) bands (ev): -47.8305 -47.8305 -25.9831 -25.9831 -24.1918 -24.1918 -24.1903 -24.1903 -17.8215 -17.8215 -17.4921 -17.4921 -17.4802 -17.4802 -2.0948 -2.0948 -2.0688 -2.0688 -1.4586 -1.4586 -1.0779 -1.0779 -1.0222 -1.0222 -1.0016 -1.0016 1.1575 1.1575 1.1850 1.1850 1.2335 1.2335 10.0179 10.0179 10.0599 10.0599 10.1699 10.1699 13.3093 13.3093 14.6083 14.6083 k = 0.3643 0.3643 0.3643 ( 2431 PWs) bands (ev): -47.8301 -47.8301 -25.9899 -25.9899 -24.2022 -24.2022 -24.2009 -24.2009 -17.8012 -17.8012 -17.4652 -17.4652 -17.4543 -17.4543 -2.1379 -2.1379 -2.1143 -2.1143 -1.4933 -1.4933 -1.1018 -1.1018 -1.0506 -1.0506 -1.0297 -1.0297 1.1743 1.1743 1.2017 1.2017 1.2456 1.2456 10.0636 10.0636 10.1033 10.1033 10.2142 10.2142 13.3728 13.3728 14.6857 14.6857 k = 0.3714 0.3714 0.3714 ( 2425 PWs) bands (ev): -47.8297 -47.8297 -25.9964 -25.9964 -24.2122 -24.2122 -24.2110 -24.2110 -17.7816 -17.7816 -17.4393 -17.4393 -17.4295 -17.4295 -2.1792 -2.1792 -2.1580 -2.1580 -1.5268 -1.5268 -1.1244 -1.1244 -1.0778 -1.0778 -1.0566 -1.0566 1.1904 1.1904 1.2179 1.2179 1.2573 1.2573 10.1077 10.1077 10.1449 10.1449 10.2568 10.2568 13.4271 13.4271 14.7609 14.7609 k = 0.3786 0.3786 0.3786 ( 2425 PWs) bands (ev): -47.8294 -47.8294 -26.0027 -26.0027 -24.2218 -24.2218 -24.2207 -24.2207 -17.7629 -17.7629 -17.4145 -17.4145 -17.4057 -17.4057 -2.2188 -2.2188 -2.1997 -2.1997 -1.5591 -1.5591 -1.1457 -1.1457 -1.1037 -1.1037 -1.0821 -1.0821 1.2059 1.2059 1.2335 1.2335 1.2686 1.2686 10.1501 10.1501 10.1847 10.1847 10.2976 10.2976 13.4715 13.4715 14.8335 14.8335 k = 0.3857 0.3857 0.3857 ( 2431 PWs) bands (ev): -47.8292 -47.8292 -26.0086 -26.0086 -24.2308 -24.2308 -24.2298 -24.2298 -17.7450 -17.7450 -17.3908 -17.3908 -17.3830 -17.3830 -2.2564 -2.2564 -2.2395 -2.2395 -1.5900 -1.5900 -1.1658 -1.1658 -1.1283 -1.1283 -1.1064 -1.1064 1.2207 1.2207 1.2485 1.2485 1.2795 1.2795 10.1907 10.1907 10.2226 10.2226 10.3366 10.3366 13.5060 13.5060 14.9035 14.9035 k = 0.3929 0.3929 0.3929 ( 2437 PWs) bands (ev): -47.8290 -47.8290 -26.0142 -26.0142 -24.2394 -24.2394 -24.2385 -24.2385 -17.7280 -17.7280 -17.3684 -17.3684 -17.3615 -17.3615 -2.2921 -2.2921 -2.2772 -2.2772 -1.6194 -1.6194 -1.1846 -1.1846 -1.1515 -1.1515 -1.1292 -1.1292 1.2348 1.2348 1.2627 1.2627 1.2899 1.2899 10.2295 10.2295 10.2586 10.2586 10.3737 10.3737 13.5308 13.5308 14.9707 14.9707 k = 0.4000 0.4000 0.4000 ( 2434 PWs) bands (ev): -47.8287 -47.8287 -26.0195 -26.0195 -24.2474 -24.2474 -24.2467 -24.2467 -17.7119 -17.7119 -17.3471 -17.3471 -17.3411 -17.3411 -2.3258 -2.3258 -2.3127 -2.3127 -1.6473 -1.6473 -1.2022 -1.2022 -1.1733 -1.1733 -1.1506 -1.1506 1.2482 1.2482 1.2763 1.2763 1.2997 1.2997 10.2663 10.2663 10.2927 10.2927 10.4089 10.4089 13.5466 13.5466 15.0349 15.0349 k = 0.4071 0.4071 0.4071 ( 2434 PWs) bands (ev): -47.8285 -47.8285 -26.0245 -26.0245 -24.2550 -24.2550 -24.2543 -24.2543 -17.6968 -17.6968 -17.3271 -17.3271 -17.3219 -17.3219 -2.3574 -2.3574 -2.3461 -2.3461 -1.6736 -1.6736 -1.2186 -1.2186 -1.1937 -1.1937 -1.1706 -1.1706 1.2607 1.2607 1.2891 1.2891 1.3091 1.3091 10.3012 10.3012 10.3247 10.3247 10.4420 10.4420 13.5546 13.5546 15.0959 15.0959 k = 0.4143 0.4143 0.4143 ( 2422 PWs) bands (ev): -47.8280 -47.8280 -26.0291 -26.0291 -24.2619 -24.2619 -24.2614 -24.2614 -17.6827 -17.6827 -17.3084 -17.3084 -17.3040 -17.3040 -2.3868 -2.3868 -2.3772 -2.3772 -1.6982 -1.6982 -1.2338 -1.2338 -1.2127 -1.2127 -1.1891 -1.1891 1.2724 1.2724 1.3010 1.3010 1.3180 1.3180 10.3339 10.3339 10.3546 10.3546 10.4731 10.4731 13.5559 13.5559 15.1535 15.1535 k = 0.4214 0.4214 0.4214 ( 2422 PWs) bands (ev): -47.8278 -47.8278 -26.0334 -26.0334 -24.2684 -24.2684 -24.2679 -24.2679 -17.6695 -17.6695 -17.2911 -17.2911 -17.2873 -17.2873 -2.4141 -2.4141 -2.4060 -2.4060 -1.7210 -1.7210 -1.2479 -1.2479 -1.2302 -1.2302 -1.2062 -1.2062 1.2832 1.2832 1.3122 1.3122 1.3262 1.3262 10.3643 10.3643 10.3823 10.3823 10.5020 10.5020 13.5520 13.5520 15.2076 15.2076 k = 0.4286 0.4286 0.4286 ( 2422 PWs) bands (ev): -47.8276 -47.8276 -26.0374 -26.0374 -24.2744 -24.2744 -24.2739 -24.2739 -17.6574 -17.6574 -17.2751 -17.2751 -17.2720 -17.2720 -2.4392 -2.4392 -2.4324 -2.4324 -1.7420 -1.7420 -1.2608 -1.2608 -1.2463 -1.2463 -1.2218 -1.2218 1.2931 1.2931 1.3225 1.3225 1.3339 1.3339 10.3925 10.3925 10.4077 10.4077 10.5287 10.5287 13.5441 13.5441 15.2578 15.2578 k = 0.4357 0.4357 0.4357 ( 2428 PWs) bands (ev): -47.8276 -47.8276 -26.0409 -26.0409 -24.2797 -24.2797 -24.2794 -24.2794 -17.6464 -17.6464 -17.2606 -17.2606 -17.2581 -17.2581 -2.4620 -2.4620 -2.4565 -2.4565 -1.7612 -1.7612 -1.2725 -1.2725 -1.2609 -1.2609 -1.2358 -1.2358 1.3020 1.3020 1.3319 1.3319 1.3410 1.3410 10.4183 10.4183 10.4309 10.4309 10.5531 10.5531 13.5334 13.5334 15.3039 15.3039 k = 0.4429 0.4429 0.4429 ( 2434 PWs) bands (ev): -47.8275 -47.8275 -26.0442 -26.0442 -24.2846 -24.2846 -24.2843 -24.2843 -17.6365 -17.6365 -17.2475 -17.2475 -17.2455 -17.2455 -2.4825 -2.4825 -2.4782 -2.4782 -1.7785 -1.7785 -1.2830 -1.2830 -1.2740 -1.2740 -1.2484 -1.2484 1.3101 1.3101 1.3403 1.3403 1.3474 1.3474 10.4416 10.4416 10.4517 10.4517 10.5751 10.5751 13.5212 13.5212 15.3458 15.3458 k = 0.4500 0.4500 0.4500 ( 2440 PWs) bands (ev): -47.8274 -47.8274 -26.0470 -26.0470 -24.2889 -24.2889 -24.2887 -24.2887 -17.6277 -17.6277 -17.2360 -17.2360 -17.2344 -17.2344 -2.5007 -2.5007 -2.4974 -2.4974 -1.7939 -1.7939 -1.2924 -1.2924 -1.2856 -1.2856 -1.2594 -1.2594 1.3172 1.3172 1.3479 1.3479 1.3532 1.3532 10.4623 10.4623 10.4702 10.4702 10.5947 10.5947 13.5083 13.5083 15.3832 15.3832 k = 0.4571 0.4571 0.4571 ( 2440 PWs) bands (ev): -47.8273 -47.8273 -26.0495 -26.0495 -24.2926 -24.2926 -24.2925 -24.2925 -17.6200 -17.6200 -17.2258 -17.2258 -17.2247 -17.2247 -2.5165 -2.5165 -2.5141 -2.5141 -1.8073 -1.8073 -1.3006 -1.3006 -1.2956 -1.2956 -1.2689 -1.2689 1.3233 1.3233 1.3544 1.3544 1.3583 1.3583 10.4804 10.4804 10.4864 10.4864 10.6118 10.6118 13.4956 13.4956 15.4160 15.4160 k = 0.4643 0.4643 0.4643 ( 2443 PWs) bands (ev): -47.8272 -47.8272 -26.0516 -26.0516 -24.2958 -24.2958 -24.2957 -24.2957 -17.6135 -17.6135 -17.2172 -17.2172 -17.2164 -17.2164 -2.5299 -2.5299 -2.5282 -2.5282 -1.8187 -1.8187 -1.3076 -1.3076 -1.3042 -1.3042 -1.2770 -1.2770 1.3285 1.3285 1.3600 1.3600 1.3627 1.3627 10.4958 10.4958 10.5000 10.5000 10.6264 10.6264 13.4838 13.4838 15.4440 15.4440 k = 0.4714 0.4714 0.4714 ( 2440 PWs) bands (ev): -47.8271 -47.8271 -26.0534 -26.0534 -24.2983 -24.2983 -24.2983 -24.2983 -17.6082 -17.6082 -17.2102 -17.2102 -17.2097 -17.2097 -2.5409 -2.5409 -2.5399 -2.5399 -1.8280 -1.8280 -1.3133 -1.3133 -1.3112 -1.3112 -1.2835 -1.2835 1.3327 1.3327 1.3646 1.3646 1.3663 1.3663 10.5086 10.5086 10.5113 10.5113 10.6384 10.6384 13.4734 13.4734 15.4671 15.4671 k = 0.4786 0.4786 0.4786 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0547 -26.0547 -24.3004 -24.3004 -24.3003 -24.3003 -17.6040 -17.6040 -17.2047 -17.2047 -17.2044 -17.2044 -2.5495 -2.5495 -2.5489 -2.5489 -1.8353 -1.8353 -1.3178 -1.3178 -1.3166 -1.3166 -1.2886 -1.2886 1.3360 1.3360 1.3682 1.3682 1.3691 1.3691 10.5185 10.5185 10.5200 10.5200 10.6478 10.6478 13.4649 13.4649 15.4852 15.4852 k = 0.4857 0.4857 0.4857 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0557 -26.0557 -24.3018 -24.3018 -24.3018 -24.3018 -17.6010 -17.6010 -17.2007 -17.2007 -17.2006 -17.2006 -2.5557 -2.5557 -2.5554 -2.5554 -1.8405 -1.8405 -1.3210 -1.3210 -1.3205 -1.3205 -1.2922 -1.2922 1.3383 1.3383 1.3708 1.3708 1.3712 1.3712 10.5256 10.5256 10.5263 10.5263 10.6546 10.6546 13.4586 13.4586 15.4982 15.4982 k = 0.4929 0.4929 0.4929 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0562 -26.0562 -24.3027 -24.3027 -24.3027 -24.3027 -17.5992 -17.5992 -17.1984 -17.1984 -17.1983 -17.1983 -2.5594 -2.5594 -2.5593 -2.5593 -1.8436 -1.8436 -1.3230 -1.3230 -1.3229 -1.3229 -1.2943 -1.2943 1.3397 1.3397 1.3723 1.3723 1.3724 1.3724 10.5299 10.5299 10.5301 10.5301 10.6587 10.6587 13.4547 13.4547 15.5060 15.5060 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0564 -26.0564 -24.3029 -24.3029 -24.3029 -24.3029 -17.5986 -17.5986 -17.1976 -17.1976 -17.1976 -17.1976 -2.5606 -2.5606 -2.5606 -2.5606 -1.8447 -1.8447 -1.3236 -1.3236 -1.3236 -1.3236 -1.2950 -1.2950 1.3402 1.3402 1.3728 1.3728 1.3728 1.3728 10.5313 10.5313 10.5313 10.5313 10.6600 10.6600 13.4534 13.4534 15.5086 15.5086 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0564 -26.0564 -24.3029 -24.3029 -24.3029 -24.3029 -17.5986 -17.5986 -17.1976 -17.1976 -17.1976 -17.1976 -2.5606 -2.5606 -2.5606 -2.5606 -1.8447 -1.8447 -1.3236 -1.3236 -1.3236 -1.3236 -1.2950 -1.2950 1.3402 1.3402 1.3728 1.3728 1.3728 1.3728 10.5313 10.5313 10.5313 10.5313 10.6600 10.6600 13.4534 13.4534 15.5086 15.5086 k = 0.4912 0.5000 0.4912 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0562 -26.0562 -24.3028 -24.3028 -24.3025 -24.3025 -17.5992 -17.5992 -17.1987 -17.1987 -17.1980 -17.1980 -2.5600 -2.5600 -2.5587 -2.5587 -1.8436 -1.8436 -1.3231 -1.3231 -1.3227 -1.3227 -1.2943 -1.2943 1.3397 1.3397 1.3723 1.3723 1.3725 1.3725 10.5297 10.5297 10.5303 10.5303 10.6587 10.6587 13.4547 13.4547 15.5048 15.5048 k = 0.4825 0.5000 0.4825 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0557 -26.0557 -24.3024 -24.3024 -24.3012 -24.3012 -17.6010 -17.6010 -17.2022 -17.2022 -17.1991 -17.1991 -2.5581 -2.5581 -2.5529 -2.5529 -1.8405 -1.8405 -1.3216 -1.3216 -1.3200 -1.3200 -1.2921 -1.2921 1.3383 1.3383 1.3705 1.3705 1.3715 1.3715 10.5248 10.5248 10.5271 10.5271 10.6546 10.6546 13.4586 13.4586 15.4935 15.4935 k = 0.4737 0.5000 0.4737 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0547 -26.0547 -24.3017 -24.3017 -24.2989 -24.2989 -17.6040 -17.6040 -17.2080 -17.2080 -17.2010 -17.2010 -2.5550 -2.5550 -2.5434 -2.5434 -1.8352 -1.8352 -1.3191 -1.3191 -1.3155 -1.3155 -1.2883 -1.2883 1.3359 1.3359 1.3676 1.3676 1.3698 1.3698 10.5165 10.5165 10.5218 10.5218 10.6479 10.6479 13.4650 13.4650 15.4747 15.4747 k = 0.4649 0.5000 0.4649 ( 2440 PWs) bands (ev): -47.8271 -47.8271 -26.0533 -26.0533 -24.3007 -24.3007 -24.2958 -24.2958 -17.6083 -17.6083 -17.2161 -17.2161 -17.2037 -17.2037 -2.5508 -2.5508 -2.5301 -2.5301 -1.8277 -1.8277 -1.3156 -1.3156 -1.3095 -1.3095 -1.2827 -1.2827 1.3325 1.3325 1.3636 1.3636 1.3674 1.3674 10.5050 10.5050 10.5144 10.5144 10.6386 10.6386 13.4737 13.4737 15.4487 15.4487 k = 0.4561 0.5000 0.4561 ( 2444 PWs) bands (ev): -47.8273 -47.8273 -26.0516 -26.0516 -24.2995 -24.2995 -24.2919 -24.2919 -17.6139 -17.6139 -17.2265 -17.2265 -17.2070 -17.2070 -2.5456 -2.5456 -2.5130 -2.5130 -1.8180 -1.8180 -1.3112 -1.3112 -1.3023 -1.3023 -1.2750 -1.2750 1.3279 1.3279 1.3586 1.3586 1.3644 1.3644 10.4900 10.4900 10.5049 10.5049 10.6270 10.6270 13.4845 13.4845 15.4156 15.4156 k = 0.4474 0.5000 0.4474 ( 2446 PWs) bands (ev): -47.8274 -47.8274 -26.0495 -26.0495 -24.2980 -24.2980 -24.2870 -24.2870 -17.6208 -17.6208 -17.2391 -17.2391 -17.2109 -17.2109 -2.5394 -2.5394 -2.4922 -2.4922 -1.8059 -1.8059 -1.3059 -1.3059 -1.2940 -1.2940 -1.2650 -1.2650 1.3221 1.3221 1.3527 1.3527 1.3607 1.3607 10.4717 10.4717 10.4934 10.4934 10.6131 10.6131 13.4969 13.4969 15.3758 15.3758 k = 0.4386 0.5000 0.4386 ( 2438 PWs) bands (ev): -47.8274 -47.8274 -26.0471 -26.0471 -24.2961 -24.2961 -24.2813 -24.2813 -17.6290 -17.6290 -17.2538 -17.2538 -17.2153 -17.2153 -2.5323 -2.5323 -2.4677 -2.4677 -1.7915 -1.7915 -1.2997 -1.2997 -1.2848 -1.2848 -1.2524 -1.2524 1.3151 1.3151 1.3459 1.3459 1.3565 1.3565 10.4499 10.4499 10.4800 10.4800 10.5972 10.5972 13.5107 13.5107 15.3297 15.3297 k = 0.4298 0.5000 0.4298 ( 2434 PWs) bands (ev): -47.8275 -47.8275 -26.0442 -26.0442 -24.2941 -24.2941 -24.2747 -24.2747 -17.6387 -17.6387 -17.2708 -17.2708 -17.2201 -17.2201 -2.5247 -2.5247 -2.4396 -2.4396 -1.7747 -1.7747 -1.2927 -1.2927 -1.2749 -1.2749 -1.2372 -1.2372 1.3068 1.3068 1.3384 1.3384 1.3517 1.3517 10.4246 10.4246 10.4646 10.4646 10.5794 10.5794 13.5252 13.5252 15.2773 15.2773 k = 0.4211 0.5000 0.4211 ( 2430 PWs) bands (ev): -47.8276 -47.8276 -26.0411 -26.0411 -24.2917 -24.2917 -24.2673 -24.2673 -17.6498 -17.6498 -17.2898 -17.2898 -17.2252 -17.2252 -2.5164 -2.5164 -2.4080 -2.4080 -1.7553 -1.7553 -1.2849 -1.2849 -1.2641 -1.2641 -1.2195 -1.2195 1.2970 1.2970 1.3301 1.3301 1.3464 1.3464 10.3959 10.3959 10.4474 10.4474 10.5599 10.5599 13.5400 13.5400 15.2192 15.2192 k = 0.4123 0.5000 0.4123 ( 2430 PWs) bands (ev): -47.8278 -47.8278 -26.0375 -26.0375 -24.2891 -24.2891 -24.2591 -24.2591 -17.6623 -17.6623 -17.3108 -17.3108 -17.2307 -17.2307 -2.5078 -2.5078 -2.3729 -2.3729 -1.7334 -1.7334 -1.2763 -1.2763 -1.2524 -1.2524 -1.1994 -1.1994 1.2859 1.2859 1.3210 1.3210 1.3405 1.3405 10.3637 10.3637 10.4283 10.4283 10.5388 10.5388 13.5543 13.5543 15.1555 15.1555 k = 0.4035 0.5000 0.4035 ( 2434 PWs) bands (ev): -47.8280 -47.8280 -26.0337 -26.0337 -24.2862 -24.2862 -24.2500 -24.2500 -17.6764 -17.6764 -17.3339 -17.3339 -17.2363 -17.2363 -2.4991 -2.4991 -2.3345 -2.3345 -1.7088 -1.7088 -1.2669 -1.2669 -1.2396 -1.2396 -1.1769 -1.1769 1.2734 1.2734 1.3113 1.3113 1.3341 1.3341 10.3280 10.3280 10.4075 10.4075 10.5163 10.5163 13.5674 13.5674 15.0866 15.0866 k = 0.3947 0.5000 0.3947 ( 2428 PWs) bands (ev): -47.8281 -47.8281 -26.0296 -26.0296 -24.2830 -24.2830 -24.2401 -24.2401 -17.6920 -17.6920 -17.3588 -17.3588 -17.2419 -17.2419 -2.4901 -2.4901 -2.2927 -2.2927 -1.6815 -1.6815 -1.2567 -1.2567 -1.2258 -1.2258 -1.1522 -1.1522 1.2597 1.2597 1.3008 1.3008 1.3272 1.3272 10.2891 10.2891 10.3852 10.3852 10.4926 10.4926 13.5787 13.5787 15.0129 15.0129 k = 0.3860 0.5000 0.3860 ( 2428 PWs) bands (ev): -47.8283 -47.8283 -26.0251 -26.0251 -24.2796 -24.2796 -24.2295 -24.2295 -17.7092 -17.7092 -17.3855 -17.3855 -17.2476 -17.2476 -2.4812 -2.4812 -2.2478 -2.2478 -1.6515 -1.6515 -1.2457 -1.2457 -1.2109 -1.2109 -1.1254 -1.1254 1.2449 1.2449 1.2895 1.2895 1.3198 1.3198 10.2470 10.2470 10.3613 10.3613 10.4677 10.4677 13.5872 13.5872 14.9346 14.9346 k = 0.3772 0.5000 0.3772 ( 2432 PWs) bands (ev): -47.8287 -47.8287 -26.0204 -26.0204 -24.2759 -24.2759 -24.2181 -24.2181 -17.7279 -17.7279 -17.4140 -17.4140 -17.2532 -17.2532 -2.4725 -2.4725 -2.1998 -2.1998 -1.6188 -1.6188 -1.2339 -1.2339 -1.1949 -1.1949 -1.0965 -1.0965 1.2289 1.2289 1.2774 1.2774 1.3118 1.3118 10.2017 10.2017 10.3360 10.3360 10.4416 10.4416 13.5922 13.5922 14.8520 14.8520 k = 0.3684 0.5000 0.3684 ( 2424 PWs) bands (ev): -47.8288 -47.8288 -26.0154 -26.0154 -24.2719 -24.2719 -24.2059 -24.2059 -17.7481 -17.7481 -17.4441 -17.4441 -17.2586 -17.2586 -2.4640 -2.4640 -2.1488 -2.1488 -1.5834 -1.5834 -1.2212 -1.2212 -1.1778 -1.1778 -1.0655 -1.0655 1.2119 1.2119 1.2645 1.2645 1.3033 1.3033 10.1536 10.1536 10.3095 10.3095 10.4146 10.4146 13.5929 13.5929 14.7654 14.7654 k = 0.3596 0.5000 0.3596 ( 2424 PWs) bands (ev): -47.8290 -47.8290 -26.0101 -26.0101 -24.2677 -24.2677 -24.1931 -24.1931 -17.7698 -17.7698 -17.4758 -17.4758 -17.2639 -17.2639 -2.4558 -2.4558 -2.0950 -2.0950 -1.5453 -1.5453 -1.2078 -1.2078 -1.1596 -1.1596 -1.0325 -1.0325 1.1940 1.1940 1.2507 1.2507 1.2942 1.2942 10.1027 10.1027 10.2817 10.2817 10.3866 10.3866 13.5888 13.5888 14.6750 14.6750 k = 0.3509 0.5000 0.3509 ( 2424 PWs) bands (ev): -47.8293 -47.8293 -26.0046 -26.0046 -24.2632 -24.2632 -24.1795 -24.1795 -17.7930 -17.7930 -17.5089 -17.5089 -17.2690 -17.2690 -2.4480 -2.4480 -2.0384 -2.0384 -1.5048 -1.5048 -1.1935 -1.1935 -1.1404 -1.1404 -0.9976 -0.9976 1.1754 1.1754 1.2361 1.2361 1.2845 1.2845 10.0492 10.0492 10.2530 10.2530 10.3577 10.3577 13.5793 13.5793 14.5812 14.5812 k = 0.3421 0.5000 0.3421 ( 2420 PWs) bands (ev): -47.8295 -47.8295 -25.9989 -25.9989 -24.2584 -24.2584 -24.1653 -24.1653 -17.8175 -17.8175 -17.5434 -17.5434 -17.2739 -17.2739 -2.4407 -2.4407 -1.9793 -1.9793 -1.4618 -1.4618 -1.1783 -1.1783 -1.1202 -1.1202 -0.9608 -0.9608 1.1560 1.1560 1.2205 1.2205 1.2743 1.2743 9.9934 9.9934 10.2233 10.2233 10.3281 10.3281 13.5641 13.5641 14.4842 14.4842 k = 0.3333 0.5000 0.3333 ( 2428 PWs) bands (ev): -47.8300 -47.8300 -25.9930 -25.9930 -24.2535 -24.2535 -24.1504 -24.1504 -17.8433 -17.8433 -17.5792 -17.5792 -17.2785 -17.2785 -2.4338 -2.4338 -1.9177 -1.9177 -1.4165 -1.4165 -1.1623 -1.1623 -1.0989 -1.0989 -0.9221 -0.9221 1.1359 1.1359 1.2041 1.2041 1.2634 1.2634 9.9352 9.9352 10.1928 10.1928 10.2976 10.2976 13.5432 13.5432 14.3842 14.3842 k = 0.3246 0.5000 0.3246 ( 2424 PWs) bands (ev): -47.8302 -47.8302 -25.9869 -25.9869 -24.2482 -24.2482 -24.1350 -24.1350 -17.8704 -17.8704 -17.6161 -17.6161 -17.2829 -17.2829 -2.4273 -2.4273 -1.8539 -1.8539 -1.3691 -1.3691 -1.1455 -1.1455 -1.0766 -1.0766 -0.8817 -0.8817 1.1153 1.1153 1.1868 1.1868 1.2520 1.2520 9.8751 9.8751 10.1616 10.1616 10.2665 10.2665 13.5166 13.5166 14.2815 14.2815 k = 0.3158 0.5000 0.3158 ( 2424 PWs) bands (ev): -47.8305 -47.8305 -25.9806 -25.9806 -24.2428 -24.2428 -24.1189 -24.1189 -17.8986 -17.8986 -17.6541 -17.6541 -17.2870 -17.2870 -2.4213 -2.4213 -1.7879 -1.7879 -1.3196 -1.3196 -1.1278 -1.1278 -1.0533 -1.0533 -0.8394 -0.8394 1.0942 1.0942 1.1686 1.1686 1.2399 1.2399 9.8131 9.8131 10.1299 10.1299 10.2348 10.2348 13.4847 13.4847 14.1764 14.1764 k = 0.3070 0.5000 0.3070 ( 2424 PWs) bands (ev): -47.8308 -47.8308 -25.9742 -25.9742 -24.2371 -24.2371 -24.1023 -24.1023 -17.9278 -17.9278 -17.6930 -17.6930 -17.2908 -17.2908 -2.4158 -2.4158 -1.7200 -1.7200 -1.2685 -1.2685 -1.1092 -1.1092 -1.0291 -1.0291 -0.7955 -0.7955 1.0728 1.0728 1.1495 1.1495 1.2273 1.2273 9.7495 9.7495 10.0977 10.0977 10.2026 10.2026 13.4479 13.4479 14.0691 14.0691 k = 0.2982 0.5000 0.2982 ( 2424 PWs) bands (ev): -47.8312 -47.8312 -25.9677 -25.9677 -24.2312 -24.2312 -24.0852 -24.0852 -17.9580 -17.9580 -17.7328 -17.7328 -17.2944 -17.2944 -2.4107 -2.4107 -1.6503 -1.6503 -1.2157 -1.2157 -1.0897 -1.0897 -1.0040 -1.0040 -0.7500 -0.7500 1.0510 1.0510 1.1294 1.1294 1.2139 1.2139 9.6844 9.6844 10.0651 10.0651 10.1700 10.1700 13.4067 13.4067 13.9599 13.9599 k = 0.2895 0.5000 0.2895 ( 2428 PWs) bands (ev): -47.8316 -47.8316 -25.9611 -25.9611 -24.2251 -24.2251 -24.0676 -24.0676 -17.9889 -17.9889 -17.7732 -17.7732 -17.2978 -17.2978 -2.4061 -2.4061 -1.5790 -1.5790 -1.1616 -1.1616 -1.0694 -1.0694 -0.9779 -0.9779 -0.7028 -0.7028 1.0291 1.0291 1.1085 1.1085 1.2000 1.2000 9.6181 9.6181 10.0322 10.0322 10.1370 10.1370 13.3619 13.3619 13.8491 13.8491 k = 0.2807 0.5000 0.2807 ( 2430 PWs) bands (ev): -47.8319 -47.8319 -25.9543 -25.9543 -24.2188 -24.2188 -24.0497 -24.0497 -18.0206 -18.0206 -17.8143 -17.8143 -17.3010 -17.3010 -2.4018 -2.4018 -1.5063 -1.5063 -1.1064 -1.1064 -1.0481 -1.0481 -0.9511 -0.9511 -0.6542 -0.6542 1.0070 1.0070 1.0867 1.0867 1.1854 1.1854 9.5507 9.5507 9.9993 9.9993 10.1037 10.1037 13.3140 13.3140 13.7370 13.7370 k = 0.2719 0.5000 0.2719 ( 2426 PWs) bands (ev): -47.8322 -47.8322 -25.9476 -25.9476 -24.2123 -24.2123 -24.0313 -24.0313 -18.0529 -18.0529 -17.8558 -17.8558 -17.3039 -17.3039 -2.3979 -2.3979 -1.4324 -1.4324 -1.0508 -1.0508 -1.0255 -1.0255 -0.9233 -0.9233 -0.6040 -0.6040 0.9848 0.9848 1.0641 1.0641 1.1702 1.1702 9.4824 9.4824 9.9662 9.9662 10.0703 10.0703 13.2636 13.2636 13.6238 13.6238 k = 0.2632 0.5000 0.2632 ( 2434 PWs) bands (ev): -47.8327 -47.8327 -25.9408 -25.9408 -24.2057 -24.2057 -24.0126 -24.0126 -18.0857 -18.0857 -17.8976 -17.8976 -17.3066 -17.3066 -2.3944 -2.3944 -1.3575 -1.3575 -1.0059 -1.0059 -0.9906 -0.9906 -0.8948 -0.8948 -0.5526 -0.5526 0.9627 0.9627 1.0405 1.0405 1.1543 1.1543 9.4134 9.4134 9.9332 9.9332 10.0368 10.0368 13.2113 13.2113 13.5098 13.5098 k = 0.2544 0.5000 0.2544 ( 2426 PWs) bands (ev): -47.8329 -47.8329 -25.9339 -25.9339 -24.1988 -24.1988 -23.9935 -23.9935 -18.1189 -18.1189 -17.9397 -17.9397 -17.3092 -17.3092 -2.3912 -2.3912 -1.2819 -1.2819 -0.9807 -0.9807 -0.9347 -0.9347 -0.8653 -0.8653 -0.4998 -0.4998 0.9407 0.9407 1.0161 1.0161 1.1377 1.1377 9.3440 9.3440 9.9004 9.9004 10.0033 10.0033 13.1577 13.1577 13.3955 13.3955 k = 0.2456 0.5000 0.2456 ( 2434 PWs) bands (ev): -47.8334 -47.8334 -25.9271 -25.9271 -24.1919 -24.1919 -23.9743 -23.9743 -18.1523 -18.1523 -17.9819 -17.9819 -17.3116 -17.3116 -2.3883 -2.3883 -1.2056 -1.2056 -0.9560 -0.9560 -0.8776 -0.8776 -0.8349 -0.8349 -0.4459 -0.4459 0.9190 0.9190 0.9909 0.9909 1.1205 1.1205 9.2743 9.2743 9.8677 9.8677 9.9699 9.9699 13.1031 13.1031 13.2810 13.2810 k = 0.2368 0.5000 0.2368 ( 2442 PWs) bands (ev): -47.8339 -47.8339 -25.9204 -25.9204 -24.1849 -24.1849 -23.9549 -23.9549 -18.1858 -18.1858 -18.0241 -18.0241 -17.3138 -17.3138 -2.3857 -2.3857 -1.1291 -1.1291 -0.9305 -0.9305 -0.8218 -0.8218 -0.8023 -0.8023 -0.3909 -0.3909 0.8974 0.8974 0.9648 0.9648 1.1026 1.1026 9.2045 9.2045 9.8354 9.8354 9.9367 9.9367 13.0477 13.0477 13.1671 13.1671 k = 0.2281 0.5000 0.2281 ( 2446 PWs) bands (ev): -47.8343 -47.8343 -25.9136 -25.9136 -24.1778 -24.1778 -23.9353 -23.9353 -18.2194 -18.2194 -18.0661 -18.0661 -17.3159 -17.3159 -2.3834 -2.3834 -1.0526 -1.0526 -0.9042 -0.9042 -0.7777 -0.7777 -0.7576 -0.7576 -0.3349 -0.3349 0.8763 0.8763 0.9381 0.9381 1.0841 1.0841 9.1348 9.1348 9.8034 9.8034 9.9038 9.9038 12.9903 12.9903 13.0554 13.0554 k = 0.2193 0.5000 0.2193 ( 2442 PWs) bands (ev): -47.8346 -47.8346 -25.9069 -25.9069 -24.1705 -24.1705 -23.9157 -23.9157 -18.2530 -18.2530 -18.1078 -18.1078 -17.3178 -17.3178 -2.3813 -2.3813 -0.9764 -0.9764 -0.8770 -0.8770 -0.7441 -0.7441 -0.7019 -0.7019 -0.2782 -0.2782 0.8555 0.8555 0.9106 0.9106 1.0650 1.0650 9.0654 9.0654 9.7720 9.7720 9.8713 9.8713 12.9197 12.9197 12.9581 12.9581 k = 0.2105 0.5000 0.2105 ( 2446 PWs) bands (ev): -47.8350 -47.8350 -25.9004 -25.9004 -24.1633 -24.1633 -23.8960 -23.8960 -18.2863 -18.2863 -18.1491 -18.1491 -17.3196 -17.3196 -2.3793 -2.3793 -0.9011 -0.9011 -0.8487 -0.8487 -0.7113 -0.7113 -0.6454 -0.6454 -0.2208 -0.2208 0.8350 0.8350 0.8826 0.8826 1.0452 1.0452 8.9964 8.9964 9.7411 9.7411 9.8393 9.8393 12.8173 12.8173 12.8941 12.8941 k = 0.2018 0.5000 0.2018 ( 2450 PWs) bands (ev): -47.8354 -47.8354 -25.8939 -25.8939 -24.1560 -24.1560 -23.8764 -23.8764 -18.3194 -18.3194 -18.1899 -18.1899 -17.3213 -17.3213 -2.3776 -2.3776 -0.8312 -0.8312 -0.8150 -0.8150 -0.6783 -0.6783 -0.5893 -0.5893 -0.1630 -0.1630 0.8148 0.8148 0.8543 0.8543 1.0248 1.0248 8.9281 8.9281 9.7109 9.7109 9.8079 9.8079 12.7076 12.7076 12.8397 12.8397 k = 0.1930 0.5000 0.1930 ( 2446 PWs) bands (ev): -47.8356 -47.8356 -25.8875 -25.8875 -24.1487 -24.1487 -23.8569 -23.8569 -18.3521 -18.3521 -18.2300 -18.2300 -17.3228 -17.3228 -2.3761 -2.3761 -0.7936 -0.7936 -0.7493 -0.7493 -0.6450 -0.6450 -0.5339 -0.5339 -0.1050 -0.1050 0.7942 0.7942 0.8264 0.8264 1.0038 1.0038 8.8607 8.8607 9.6814 9.6814 9.7772 9.7772 12.5981 12.5981 12.7877 12.7877 k = 0.1842 0.5000 0.1842 ( 2444 PWs) bands (ev): -47.8359 -47.8359 -25.8813 -25.8813 -24.1414 -24.1414 -23.8376 -23.8376 -18.3844 -18.3844 -18.2693 -18.2693 -17.3242 -17.3242 -2.3748 -2.3748 -0.7629 -0.7629 -0.6775 -0.6775 -0.6114 -0.6114 -0.4793 -0.4793 -0.0468 -0.0468 0.7720 0.7720 0.8003 0.8003 0.9823 0.9823 8.7945 8.7945 9.6526 9.6526 9.7472 9.7472 12.4900 12.4900 12.7376 12.7376 k = 0.1754 0.5000 0.1754 ( 2456 PWs) bands (ev): -47.8364 -47.8364 -25.8753 -25.8753 -24.1342 -24.1342 -23.8185 -23.8185 -18.4161 -18.4161 -18.3076 -18.3076 -17.3256 -17.3256 -2.3736 -2.3736 -0.7319 -0.7319 -0.6071 -0.6071 -0.5774 -0.5774 -0.4258 -0.4258 0.0110 0.0110 0.7463 0.7463 0.7780 0.7780 0.9602 0.9602 8.7293 8.7293 9.6246 9.6246 9.7180 9.7180 12.3838 12.3838 12.6891 12.6891 k = 0.1667 0.5000 0.1667 ( 2456 PWs) bands (ev): -47.8367 -47.8367 -25.8695 -25.8695 -24.1270 -24.1270 -23.7997 -23.7997 -18.4471 -18.4471 -18.3449 -18.3449 -17.3269 -17.3269 -2.3725 -2.3725 -0.7004 -0.7004 -0.5451 -0.5451 -0.5370 -0.5370 -0.3733 -0.3733 0.0684 0.0684 0.7171 0.7171 0.7597 0.7597 0.9375 0.9375 8.6657 8.6657 9.5975 9.5975 9.6898 9.6898 12.2800 12.2800 12.6425 12.6425 k = 0.1579 0.5000 0.1579 ( 2448 PWs) bands (ev): -47.8369 -47.8369 -25.8638 -25.8638 -24.1200 -24.1200 -23.7813 -23.7813 -18.4774 -18.4774 -18.3810 -18.3810 -17.3280 -17.3280 -2.3715 -2.3715 -0.6682 -0.6682 -0.5098 -0.5098 -0.4721 -0.4721 -0.3219 -0.3219 0.1251 0.1251 0.6856 0.6856 0.7444 0.7444 0.9144 0.9144 8.6037 8.6037 9.5715 9.5715 9.6626 9.6626 12.1789 12.1789 12.5978 12.5978 k = 0.1491 0.5000 0.1491 ( 2448 PWs) bands (ev): -47.8372 -47.8372 -25.8584 -25.8584 -24.1131 -24.1131 -23.7634 -23.7634 -18.5068 -18.5068 -18.4157 -18.4157 -17.3291 -17.3291 -2.3707 -2.3707 -0.6354 -0.6354 -0.4754 -0.4754 -0.4093 -0.4093 -0.2719 -0.2719 0.1808 0.1808 0.6527 0.6527 0.7312 0.7312 0.8909 0.8909 8.5435 8.5435 9.5464 9.5464 9.6365 9.6365 12.0809 12.0809 12.5550 12.5550 k = 0.1404 0.5000 0.1404 ( 2452 PWs) bands (ev): -47.8375 -47.8375 -25.8532 -25.8532 -24.1064 -24.1064 -23.7459 -23.7459 -18.5354 -18.5354 -18.4490 -18.4490 -17.3301 -17.3301 -2.3699 -2.3699 -0.6019 -0.6019 -0.4412 -0.4412 -0.3497 -0.3497 -0.2232 -0.2232 0.2352 0.2352 0.6189 0.6189 0.7199 0.7199 0.8670 0.8670 8.4854 8.4854 9.5225 9.5225 9.6115 9.6115 11.9862 11.9862 12.5143 12.5143 k = 0.1316 0.5000 0.1316 ( 2452 PWs) bands (ev): -47.8378 -47.8378 -25.8482 -25.8482 -24.0999 -24.0999 -23.7291 -23.7291 -18.5629 -18.5629 -18.4806 -18.4806 -17.3310 -17.3310 -2.3693 -2.3693 -0.5679 -0.5679 -0.4071 -0.4071 -0.2938 -0.2938 -0.1760 -0.1760 0.2880 0.2880 0.5843 0.5843 0.7106 0.7106 0.8428 0.8428 8.4294 8.4294 9.4996 9.4996 9.5877 9.5877 11.8952 11.8952 12.4757 12.4757 k = 0.1228 0.5000 0.1228 ( 2456 PWs) bands (ev): -47.8381 -47.8381 -25.8435 -25.8435 -24.0936 -24.0936 -23.7130 -23.7130 -18.5894 -18.5894 -18.5106 -18.5106 -17.3319 -17.3319 -2.3687 -2.3687 -0.5333 -0.5333 -0.3733 -0.3733 -0.2419 -0.2419 -0.1305 -0.1305 0.3389 0.3389 0.5491 0.5491 0.7032 0.7032 0.8184 0.8184 8.3760 8.3760 9.4780 9.4780 9.5653 9.5653 11.8082 11.8082 12.4394 12.4394 k = 0.1140 0.5000 0.1140 ( 2464 PWs) bands (ev): -47.8385 -47.8385 -25.8391 -25.8391 -24.0876 -24.0876 -23.6976 -23.6976 -18.6147 -18.6147 -18.5389 -18.5389 -17.3327 -17.3327 -2.3682 -2.3682 -0.4982 -0.4982 -0.3399 -0.3399 -0.1941 -0.1941 -0.0870 -0.0870 0.3874 0.3874 0.5135 0.5135 0.6977 0.6977 0.7939 0.7939 8.3250 8.3250 9.4576 9.4576 9.5441 9.5441 11.7255 11.7255 12.4054 12.4054 k = 0.1053 0.5000 0.1053 ( 2464 PWs) bands (ev): -47.8387 -47.8387 -25.8349 -25.8349 -24.0819 -24.0819 -23.6829 -23.6829 -18.6388 -18.6388 -18.5652 -18.5652 -17.3334 -17.3334 -2.3678 -2.3678 -0.4626 -0.4626 -0.3069 -0.3069 -0.1504 -0.1504 -0.0460 -0.0460 0.4324 0.4324 0.4785 0.4785 0.6944 0.6944 0.7695 0.7695 8.2770 8.2770 9.4384 9.4384 9.5243 9.5243 11.6475 11.6475 12.3736 12.3736 k = 0.0965 0.5000 0.0965 ( 2454 PWs) bands (ev): -47.8387 -47.8387 -25.8310 -25.8310 -24.0765 -24.0765 -23.6692 -23.6692 -18.6614 -18.6614 -18.5895 -18.5895 -17.3340 -17.3340 -2.3674 -2.3674 -0.4265 -0.4265 -0.2747 -0.2747 -0.1108 -0.1108 -0.0077 -0.0077 0.4372 0.4372 0.4805 0.4805 0.6931 0.6931 0.7452 0.7452 8.2319 8.2319 9.4207 9.4207 9.5060 9.5060 11.5745 11.5745 12.3443 12.3443 k = 0.0877 0.5000 0.0877 ( 2454 PWs) bands (ev): -47.8389 -47.8389 -25.8275 -25.8275 -24.0715 -24.0715 -23.6564 -23.6564 -18.6826 -18.6826 -18.6119 -18.6119 -17.3346 -17.3346 -2.3670 -2.3670 -0.3901 -0.3901 -0.2433 -0.2433 -0.0751 -0.0751 0.0273 0.0273 0.4016 0.4016 0.5194 0.5194 0.6936 0.6936 0.7217 0.7217 8.1901 8.1901 9.4043 9.4043 9.4892 9.4892 11.5067 11.5067 12.3174 12.3174 k = 0.0789 0.5000 0.0789 ( 2446 PWs) bands (ev): -47.8390 -47.8390 -25.8242 -25.8242 -24.0668 -24.0668 -23.6446 -23.6446 -18.7022 -18.7022 -18.6322 -18.6322 -17.3351 -17.3351 -2.3667 -2.3667 -0.3533 -0.3533 -0.2130 -0.2130 -0.0433 -0.0433 0.0588 0.0588 0.3644 0.3644 0.5562 0.5562 0.6921 0.6921 0.7028 0.7028 8.1516 8.1516 9.3893 9.3893 9.4738 9.4738 11.4444 11.4444 12.2929 12.2929 k = 0.0702 0.5000 0.0702 ( 2450 PWs) bands (ev): -47.8392 -47.8392 -25.8213 -25.8213 -24.0626 -24.0626 -23.6339 -23.6339 -18.7201 -18.7201 -18.6504 -18.6504 -17.3356 -17.3356 -2.3665 -2.3665 -0.3162 -0.3162 -0.1842 -0.1842 -0.0153 -0.0153 0.0866 0.0866 0.3270 0.3270 0.5892 0.5892 0.6734 0.6734 0.7038 0.7038 8.1166 8.1166 9.3758 9.3758 9.4600 9.4600 11.3878 11.3878 12.2709 12.2709 k = 0.0614 0.5000 0.0614 ( 2446 PWs) bands (ev): -47.8393 -47.8393 -25.8187 -25.8187 -24.0588 -24.0588 -23.6243 -23.6243 -18.7361 -18.7361 -18.6665 -18.6665 -17.3360 -17.3360 -2.3663 -2.3663 -0.2790 -0.2790 -0.1570 -0.1570 0.0090 0.0090 0.1106 0.1106 0.2895 0.2895 0.6180 0.6180 0.6522 0.6522 0.7102 0.7102 8.0853 8.0853 9.3638 9.3638 9.4478 9.4478 11.3373 11.3373 12.2515 12.2515 k = 0.0526 0.5000 0.0526 ( 2442 PWs) bands (ev): -47.8393 -47.8393 -25.8164 -25.8164 -24.0554 -24.0554 -23.6158 -23.6158 -18.7503 -18.7503 -18.6805 -18.6805 -17.3363 -17.3363 -2.3662 -2.3662 -0.2418 -0.2418 -0.1318 -0.1318 0.0295 0.0295 0.1309 0.1309 0.2521 0.2521 0.6321 0.6321 0.6422 0.6422 0.7186 0.7186 8.0579 8.0579 9.3533 9.3533 9.4371 9.4371 11.2931 11.2931 12.2346 12.2346 k = 0.0439 0.5000 0.0439 ( 2442 PWs) bands (ev): -47.8395 -47.8395 -25.8145 -25.8145 -24.0526 -24.0526 -23.6086 -23.6086 -18.7624 -18.7624 -18.6923 -18.6923 -17.3366 -17.3366 -2.3660 -2.3660 -0.2048 -0.2048 -0.1090 -0.1090 0.0462 0.0462 0.1477 0.1477 0.2153 0.2153 0.6139 0.6139 0.6616 0.6616 0.7281 0.7281 8.0345 8.0345 9.3444 9.3444 9.4281 9.4281 11.2553 11.2553 12.2202 12.2202 k = 0.0351 0.5000 0.0351 ( 2438 PWs) bands (ev): -47.8395 -47.8395 -25.8129 -25.8129 -24.0502 -24.0502 -23.6026 -23.6026 -18.7724 -18.7724 -18.7020 -18.7020 -17.3369 -17.3369 -2.3659 -2.3659 -0.1685 -0.1685 -0.0890 -0.0890 0.0587 0.0587 0.1611 0.1611 0.1798 0.1798 0.5980 0.5980 0.6765 0.6765 0.7381 0.7381 8.0151 8.0151 9.3371 9.3371 9.4207 9.4207 11.2241 11.2241 12.2084 12.2084 k = 0.0263 0.5000 0.0263 ( 2426 PWs) bands (ev): -47.8394 -47.8394 -25.8117 -25.8117 -24.0483 -24.0483 -23.5980 -23.5980 -18.7803 -18.7803 -18.7096 -18.7096 -17.3370 -17.3370 -2.3658 -2.3658 -0.1337 -0.1337 -0.0719 -0.0719 0.0656 0.0656 0.1473 0.1473 0.1713 0.1713 0.5849 0.5849 0.6873 0.6873 0.7473 0.7473 8.0000 8.0000 9.3314 9.3314 9.4149 9.4149 11.1998 11.1998 12.1990 12.1990 k = 0.0175 0.5000 0.0175 ( 2416 PWs) bands (ev): -47.8392 -47.8392 -25.8108 -25.8108 -24.0470 -24.0470 -23.5946 -23.5946 -18.7859 -18.7859 -18.7150 -18.7150 -17.3372 -17.3372 -2.3657 -2.3657 -0.1026 -0.1026 -0.0572 -0.0572 0.0638 0.0638 0.1227 0.1227 0.1784 0.1784 0.5751 0.5751 0.6945 0.6945 0.7546 0.7546 7.9891 7.9891 9.3273 9.3273 9.4108 9.4108 11.1823 11.1823 12.1911 12.1911 k = 0.0088 0.5000 0.0088 ( 2416 PWs) bands (ev): -47.8393 -47.8393 -25.8102 -25.8102 -24.0462 -24.0462 -23.5926 -23.5926 -18.7894 -18.7894 -18.7182 -18.7182 -17.3372 -17.3372 -2.3657 -2.3657 -0.0808 -0.0808 -0.0433 -0.0433 0.0512 0.0512 0.1113 0.1113 0.1826 0.1826 0.5690 0.5690 0.6988 0.6988 0.7593 0.7593 7.9826 7.9826 9.3248 9.3248 9.4083 9.4083 11.1718 11.1718 12.1842 12.1842 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -47.8393 -47.8393 -25.8101 -25.8101 -24.0459 -24.0459 -23.5919 -23.5919 -18.7905 -18.7905 -18.7193 -18.7193 -17.3373 -17.3373 -2.3657 -2.3657 -0.0734 -0.0734 -0.0352 -0.0352 0.0421 0.0421 0.1089 0.1089 0.1840 0.1840 0.5670 0.5670 0.7001 0.7001 0.7609 0.7609 7.9804 7.9804 9.3240 9.3240 9.4075 9.4075 11.1682 11.1682 12.1816 12.1816 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -47.8337 -47.8337 -25.9455 -25.9455 -24.3123 -24.3123 -23.8010 -23.8010 -18.7477 -18.7477 -17.4658 -17.4658 -17.2025 -17.2025 -2.5687 -2.5687 -2.1196 -2.1196 -1.3721 -1.3721 -0.0312 -0.0312 -0.0267 -0.0267 0.3191 0.3191 0.3395 0.3395 0.3669 0.3669 1.3569 1.3569 9.3958 9.3958 9.4698 9.4698 10.4466 10.4466 12.1421 12.1421 14.2884 14.2884 k = 0.5000 0.5000 0.0125 ( 2464 PWs) bands (ev): -47.8337 -47.8337 -25.9456 -25.9456 -24.3123 -24.3123 -23.8020 -23.8020 -18.7454 -18.7454 -17.4657 -17.4657 -17.2025 -17.2025 -2.5687 -2.5687 -2.1197 -2.1197 -1.3720 -1.3720 -0.0396 -0.0396 -0.0342 -0.0342 0.3272 0.3272 0.3349 0.3349 0.3741 0.3741 1.3569 1.3569 9.3974 9.3974 9.4714 9.4714 10.4468 10.4468 12.1478 12.1478 14.2872 14.2872 k = 0.5000 0.5000 0.0250 ( 2456 PWs) bands (ev): -47.8335 -47.8335 -25.9460 -25.9460 -24.3122 -24.3122 -23.8049 -23.8049 -18.7388 -18.7388 -17.4656 -17.4656 -17.2025 -17.2025 -2.5687 -2.5687 -2.1198 -2.1198 -1.3717 -1.3717 -0.0629 -0.0629 -0.0554 -0.0554 0.3210 0.3210 0.3493 0.3493 0.3941 0.3941 1.3569 1.3569 9.4021 9.4021 9.4762 9.4762 10.4473 10.4473 12.1648 12.1648 14.2835 14.2835 k = 0.5000 0.5000 0.0375 ( 2448 PWs) bands (ev): -47.8334 -47.8334 -25.9467 -25.9467 -24.3121 -24.3121 -23.8098 -23.8098 -18.7279 -18.7279 -17.4653 -17.4653 -17.2024 -17.2024 -2.5686 -2.5686 -2.1201 -2.1201 -1.3713 -1.3713 -0.0968 -0.0968 -0.0869 -0.0869 0.2981 0.2981 0.3814 0.3814 0.4236 0.4236 1.3570 1.3570 9.4100 9.4100 9.4841 9.4841 10.4482 10.4482 12.1929 12.1929 14.2776 14.2776 k = 0.5000 0.5000 0.0500 ( 2456 PWs) bands (ev): -47.8334 -47.8334 -25.9478 -25.9478 -24.3120 -24.3120 -23.8166 -23.8166 -18.7127 -18.7127 -17.4649 -17.4649 -17.2024 -17.2024 -2.5685 -2.5685 -2.1205 -2.1205 -1.3707 -1.3707 -0.1375 -0.1375 -0.1254 -0.1254 0.2663 0.2663 0.4194 0.4194 0.4594 0.4594 1.3571 1.3571 9.4209 9.4209 9.4951 9.4951 10.4493 10.4493 12.2319 12.2319 14.2692 14.2692 k = 0.5000 0.5000 0.0625 ( 2452 PWs) bands (ev): -47.8333 -47.8333 -25.9491 -25.9491 -24.3119 -24.3119 -23.8251 -23.8251 -18.6934 -18.6934 -17.4644 -17.4644 -17.2023 -17.2023 -2.5684 -2.5684 -2.1210 -2.1210 -1.3699 -1.3699 -0.1823 -0.1823 -0.1685 -0.1685 0.2260 0.2260 0.4610 0.4610 0.4990 0.4990 1.3571 1.3571 9.4349 9.4349 9.5091 9.5091 10.4509 10.4509 12.2815 12.2815 14.2585 14.2585 k = 0.5000 0.5000 0.0750 ( 2452 PWs) bands (ev): -47.8332 -47.8332 -25.9506 -25.9506 -24.3118 -24.3118 -23.8354 -23.8354 -18.6701 -18.6701 -17.4638 -17.4638 -17.2022 -17.2022 -2.5683 -2.5683 -2.1217 -2.1217 -1.3690 -1.3690 -0.2298 -0.2298 -0.2145 -0.2145 0.1776 0.1776 0.5044 0.5044 0.5407 0.5407 1.3572 1.3572 9.4518 9.4518 9.5262 9.5262 10.4528 10.4528 12.3411 12.3411 14.2455 14.2455 k = 0.5000 0.5000 0.0875 ( 2456 PWs) bands (ev): -47.8331 -47.8331 -25.9525 -25.9525 -24.3116 -24.3116 -23.8472 -23.8472 -18.6430 -18.6430 -17.4631 -17.4631 -17.2021 -17.2021 -2.5681 -2.5681 -2.1225 -2.1225 -1.3679 -1.3679 -0.2787 -0.2787 -0.2623 -0.2623 0.1216 0.1216 0.5486 0.5486 0.5836 0.5836 1.3573 1.3573 9.4716 9.4716 9.5461 9.5461 10.4549 10.4549 12.4104 12.4104 14.2303 14.2303 k = 0.5000 0.5000 0.1000 ( 2456 PWs) bands (ev): -47.8330 -47.8330 -25.9547 -25.9547 -24.3114 -24.3114 -23.8606 -23.8606 -18.6123 -18.6123 -17.4622 -17.4622 -17.2020 -17.2020 -2.5679 -2.5679 -2.1235 -2.1235 -1.3666 -1.3666 -0.3286 -0.3286 -0.3113 -0.3113 0.0586 0.0586 0.5930 0.5930 0.6269 0.6269 1.3574 1.3574 9.4943 9.4943 9.5689 9.5689 10.4574 10.4574 12.4886 12.4886 14.2130 14.2130 k = 0.5000 0.5000 0.1125 ( 2440 PWs) bands (ev): -47.8326 -47.8326 -25.9570 -25.9570 -24.3112 -24.3112 -23.8752 -23.8752 -18.5782 -18.5782 -17.4612 -17.4612 -17.2019 -17.2019 -2.5677 -2.5677 -2.1247 -2.1247 -1.3652 -1.3652 -0.3788 -0.3788 -0.3608 -0.3608 -0.0109 -0.0109 0.6372 0.6372 0.6702 0.6702 1.3576 1.3576 9.5199 9.5199 9.5946 9.5946 10.4603 10.4603 12.5753 12.5753 14.1936 14.1936 k = 0.5000 0.5000 0.1250 ( 2448 PWs) bands (ev): -47.8325 -47.8325 -25.9597 -25.9597 -24.3109 -24.3109 -23.8911 -23.8911 -18.5410 -18.5410 -17.4600 -17.4600 -17.2018 -17.2018 -2.5675 -2.5675 -2.1262 -2.1262 -1.3637 -1.3637 -0.4291 -0.4291 -0.4105 -0.4105 -0.0864 -0.0864 0.6809 0.6809 0.7129 0.7129 1.3578 1.3578 9.5478 9.5478 9.6227 9.6227 10.4634 10.4634 12.6696 12.6696 14.1723 14.1723 k = 0.5000 0.5000 0.1375 ( 2448 PWs) bands (ev): -47.8323 -47.8323 -25.9626 -25.9626 -24.3107 -24.3107 -23.9080 -23.9080 -18.5010 -18.5010 -17.4587 -17.4587 -17.2016 -17.2016 -2.5673 -2.5673 -2.1279 -2.1279 -1.3621 -1.3621 -0.4792 -0.4792 -0.4602 -0.4602 -0.1670 -0.1670 0.7237 0.7237 0.7550 0.7550 1.3579 1.3579 9.5783 9.5783 9.6533 9.6533 10.4668 10.4668 12.7710 12.7710 14.1491 14.1491 k = 0.5000 0.5000 0.1500 ( 2440 PWs) bands (ev): -47.8320 -47.8320 -25.9657 -25.9657 -24.3104 -24.3104 -23.9258 -23.9258 -18.4584 -18.4584 -17.4571 -17.4571 -17.2015 -17.2015 -2.5670 -2.5670 -2.1299 -2.1299 -1.3603 -1.3603 -0.5289 -0.5289 -0.5095 -0.5095 -0.2520 -0.2520 0.7656 0.7656 0.7963 0.7963 1.3581 1.3581 9.6111 9.6111 9.6862 9.6862 10.4705 10.4705 12.8787 12.8787 14.1241 14.1241 k = 0.5000 0.5000 0.1625 ( 2440 PWs) bands (ev): -47.8318 -47.8318 -25.9690 -25.9690 -24.3101 -24.3101 -23.9444 -23.9444 -18.4135 -18.4135 -17.4554 -17.4554 -17.2013 -17.2013 -2.5667 -2.5667 -2.1322 -2.1322 -1.3584 -1.3584 -0.5779 -0.5779 -0.5582 -0.5582 -0.3409 -0.3409 0.8064 0.8064 0.8364 0.8364 1.3583 1.3583 9.6460 9.6460 9.7213 9.7213 10.4745 10.4745 12.9919 12.9919 14.0976 14.0976 k = 0.5000 0.5000 0.1750 ( 2440 PWs) bands (ev): -47.8316 -47.8316 -25.9725 -25.9725 -24.3097 -24.3097 -23.9635 -23.9635 -18.3668 -18.3668 -17.4533 -17.4533 -17.2011 -17.2011 -2.5664 -2.5664 -2.1351 -2.1351 -1.3565 -1.3565 -0.6262 -0.6262 -0.6063 -0.6063 -0.4328 -0.4328 0.8460 0.8460 0.8755 0.8755 1.3585 1.3585 9.6829 9.6829 9.7583 9.7583 10.4788 10.4788 13.1098 13.1098 14.0696 14.0696 k = 0.5000 0.5000 0.1875 ( 2440 PWs) bands (ev): -47.8313 -47.8313 -25.9762 -25.9762 -24.3094 -24.3094 -23.9830 -23.9830 -18.3184 -18.3184 -17.4510 -17.4510 -17.2010 -17.2010 -2.5662 -2.5662 -2.1384 -2.1384 -1.3544 -1.3544 -0.6736 -0.6736 -0.6536 -0.6536 -0.5270 -0.5270 0.8843 0.8843 0.9132 0.9132 1.3587 1.3587 9.7216 9.7216 9.7971 9.7971 10.4833 10.4833 13.2316 13.2316 14.0404 14.0404 k = 0.5000 0.5000 0.2000 ( 2440 PWs) bands (ev): -47.8311 -47.8311 -25.9801 -25.9801 -24.3091 -24.3091 -24.0029 -24.0029 -18.2689 -18.2689 -17.4484 -17.4484 -17.2008 -17.2008 -2.5659 -2.5659 -2.1422 -2.1422 -1.3523 -1.3523 -0.7200 -0.7200 -0.6998 -0.6998 -0.6227 -0.6227 0.9212 0.9212 0.9497 0.9497 1.3590 1.3590 9.7619 9.7619 9.8374 9.8374 10.4880 10.4880 13.3566 13.3566 14.0100 14.0100 k = 0.5000 0.5000 0.2125 ( 2432 PWs) bands (ev): -47.8308 -47.8308 -25.9841 -25.9841 -24.3087 -24.3087 -24.0228 -24.0228 -18.2185 -18.2185 -17.4453 -17.4453 -17.2006 -17.2006 -2.5656 -2.5656 -2.1468 -2.1468 -1.3502 -1.3502 -0.7652 -0.7652 -0.7450 -0.7450 -0.7193 -0.7193 0.9567 0.9567 0.9847 0.9847 1.3592 1.3592 9.8036 9.8036 9.8791 9.8791 10.4930 10.4930 13.4841 13.4841 13.9787 13.9787 k = 0.5000 0.5000 0.2250 ( 2432 PWs) bands (ev): -47.8305 -47.8305 -25.9883 -25.9883 -24.3083 -24.3083 -24.0428 -24.0428 -18.1677 -18.1677 -17.4419 -17.4419 -17.2004 -17.2004 -2.5652 -2.5652 -2.1522 -2.1522 -1.3480 -1.3480 -0.8159 -0.8159 -0.8092 -0.8092 -0.7889 -0.7889 0.9907 0.9907 1.0183 1.0183 1.3595 1.3595 9.8464 9.8464 9.9219 9.9219 10.4982 10.4982 13.6132 13.6132 13.9467 13.9467 k = 0.5000 0.5000 0.2375 ( 2424 PWs) bands (ev): -47.8301 -47.8301 -25.9925 -25.9925 -24.3080 -24.3080 -24.0626 -24.0626 -18.1167 -18.1167 -17.4378 -17.4378 -17.2002 -17.2002 -2.5649 -2.5649 -2.1585 -2.1585 -1.3458 -1.3458 -0.9118 -0.9118 -0.8519 -0.8519 -0.8315 -0.8315 1.0232 1.0232 1.0504 1.0504 1.3597 1.3597 9.8901 9.8901 9.9654 9.9654 10.5036 10.5036 13.7431 13.7431 13.9142 13.9142 k = 0.5000 0.5000 0.2500 ( 2424 PWs) bands (ev): -47.8299 -47.8299 -25.9968 -25.9968 -24.3076 -24.3076 -24.0822 -24.0822 -18.0662 -18.0662 -17.4331 -17.4331 -17.2000 -17.2000 -2.5646 -2.5646 -2.1660 -2.1660 -1.3435 -1.3435 -1.0061 -1.0061 -0.8932 -0.8932 -0.8728 -0.8728 1.0542 1.0542 1.0810 1.0810 1.3600 1.3600 9.9344 9.9344 10.0096 10.0096 10.5092 10.5092 13.8732 13.8732 13.8813 13.8813 k = 0.5000 0.5000 0.2625 ( 2424 PWs) bands (ev): -47.8296 -47.8296 -26.0012 -26.0012 -24.3072 -24.3072 -24.1014 -24.1014 -18.0165 -18.0165 -17.4277 -17.4277 -17.1998 -17.1998 -2.5643 -2.5643 -2.1749 -2.1749 -1.3413 -1.3413 -1.0982 -1.0982 -0.9329 -0.9329 -0.9125 -0.9125 1.0836 1.0836 1.1101 1.1101 1.3603 1.3603 9.9790 9.9790 10.0539 10.0539 10.5149 10.5149 13.8483 13.8483 14.0027 14.0027 k = 0.5000 0.5000 0.2750 ( 2420 PWs) bands (ev): -47.8293 -47.8293 -26.0056 -26.0056 -24.3069 -24.3069 -24.1201 -24.1201 -17.9681 -17.9681 -17.4213 -17.4213 -17.1996 -17.1996 -2.5640 -2.5640 -2.1855 -2.1855 -1.3391 -1.3391 -1.1871 -1.1871 -0.9711 -0.9711 -0.9506 -0.9506 1.1114 1.1114 1.1376 1.1376 1.3606 1.3606 10.0238 10.0238 10.0983 10.0983 10.5209 10.5209 13.8154 13.8154 14.1308 14.1308 k = 0.5000 0.5000 0.2875 ( 2420 PWs) bands (ev): -47.8291 -47.8291 -26.0100 -26.0100 -24.3065 -24.3065 -24.1383 -24.1383 -17.9215 -17.9215 -17.4139 -17.4139 -17.1994 -17.1994 -2.5637 -2.5637 -2.1979 -2.1979 -1.3369 -1.3369 -1.2722 -1.2722 -1.0076 -1.0076 -0.9871 -0.9871 1.1376 1.1376 1.1635 1.1635 1.3609 1.3609 10.0684 10.0684 10.1423 10.1423 10.5269 10.5269 13.7828 13.7828 14.2570 14.2570 k = 0.5000 0.5000 0.3000 ( 2436 PWs) bands (ev): -47.8291 -47.8291 -26.0144 -26.0144 -24.3062 -24.3062 -24.1559 -24.1559 -17.8772 -17.8772 -17.4053 -17.4053 -17.1993 -17.1993 -2.5634 -2.5634 -2.2125 -2.2125 -1.3524 -1.3524 -1.3348 -1.3348 -1.0424 -1.0424 -1.0219 -1.0219 1.1622 1.1622 1.1879 1.1879 1.3612 1.3612 10.1124 10.1124 10.1855 10.1855 10.5331 10.5331 13.7507 13.7507 14.3804 14.3804 k = 0.5000 0.5000 0.3125 ( 2436 PWs) bands (ev): -47.8289 -47.8289 -26.0187 -26.0187 -24.3058 -24.3058 -24.1727 -24.1727 -17.8356 -17.8356 -17.3952 -17.3952 -17.1991 -17.1991 -2.5631 -2.5631 -2.2297 -2.2297 -1.4271 -1.4271 -1.3328 -1.3328 -1.0753 -1.0753 -1.0549 -1.0549 1.1852 1.1852 1.2107 1.2107 1.3616 1.3616 10.1557 10.1557 10.2277 10.2277 10.5396 10.5396 13.7193 13.7193 14.5005 14.5005 k = 0.5000 0.5000 0.3250 ( 2436 PWs) bands (ev): -47.8286 -47.8286 -26.0229 -26.0229 -24.3055 -24.3055 -24.1887 -24.1887 -17.7972 -17.7972 -17.3835 -17.3835 -17.1989 -17.1989 -2.5628 -2.5628 -2.2495 -2.2495 -1.4956 -1.4956 -1.3308 -1.3308 -1.1065 -1.1065 -1.0860 -1.0860 1.2066 1.2066 1.2320 1.2320 1.3620 1.3620 10.1979 10.1979 10.2686 10.2686 10.5463 10.5463 13.6888 13.6888 14.6165 14.6165 k = 0.5000 0.5000 0.3375 ( 2432 PWs) bands (ev): -47.8284 -47.8284 -26.0269 -26.0269 -24.3052 -24.3052 -24.2038 -24.2038 -17.7625 -17.7625 -17.3702 -17.3702 -17.1987 -17.1987 -2.5625 -2.5625 -2.2722 -2.2722 -1.5572 -1.5572 -1.3289 -1.3289 -1.1357 -1.1357 -1.1151 -1.1151 1.2264 1.2264 1.2517 1.2517 1.3624 1.3624 10.2388 10.2388 10.3076 10.3076 10.5532 10.5532 13.6595 13.6595 14.7279 14.7279 k = 0.5000 0.5000 0.3500 ( 2432 PWs) bands (ev): -47.8282 -47.8282 -26.0308 -26.0308 -24.3049 -24.3049 -24.2180 -24.2180 -17.7316 -17.7316 -17.3552 -17.3552 -17.1986 -17.1986 -2.5623 -2.5623 -2.2976 -2.2976 -1.6117 -1.6117 -1.3271 -1.3271 -1.1629 -1.1629 -1.1423 -1.1423 1.2445 1.2445 1.2699 1.2699 1.3628 1.3628 10.2780 10.2780 10.3444 10.3444 10.5606 10.5606 13.6315 13.6315 14.8341 14.8341 k = 0.5000 0.5000 0.3625 ( 2440 PWs) bands (ev): -47.8281 -47.8281 -26.0346 -26.0346 -24.3046 -24.3046 -24.2312 -24.2312 -17.7047 -17.7047 -17.3387 -17.3387 -17.1985 -17.1985 -2.5621 -2.5621 -2.3254 -2.3254 -1.6590 -1.6590 -1.3255 -1.3255 -1.1881 -1.1881 -1.1674 -1.1674 1.2611 1.2611 1.2865 1.2865 1.3633 1.3633 10.3152 10.3152 10.3786 10.3786 10.5684 10.5684 13.6050 13.6050 14.9343 14.9343 k = 0.5000 0.5000 0.3750 ( 2432 PWs) bands (ev): -47.8278 -47.8278 -26.0381 -26.0381 -24.3043 -24.3043 -24.2434 -24.2434 -17.6818 -17.6818 -17.3211 -17.3211 -17.1983 -17.1983 -2.5618 -2.5618 -2.3551 -2.3551 -1.6992 -1.6992 -1.3240 -1.3240 -1.2113 -1.2113 -1.1905 -1.1905 1.2761 1.2761 1.3017 1.3017 1.3639 1.3639 10.3502 10.3502 10.4097 10.4097 10.5768 10.5768 13.5802 13.5802 15.0282 15.0282 k = 0.5000 0.5000 0.3875 ( 2440 PWs) bands (ev): -47.8277 -47.8277 -26.0414 -26.0414 -24.3041 -24.3041 -24.2545 -24.2545 -17.6625 -17.6625 -17.3028 -17.3028 -17.1982 -17.1982 -2.5616 -2.5616 -2.3858 -2.3858 -1.7329 -1.7329 -1.3228 -1.3228 -1.2324 -1.2324 -1.2114 -1.2114 1.2894 1.2894 1.3153 1.3153 1.3645 1.3645 10.3828 10.3828 10.4372 10.4372 10.5860 10.5860 13.5572 13.5572 15.1151 15.1151 k = 0.5000 0.5000 0.4000 ( 2432 PWs) bands (ev): -47.8274 -47.8274 -26.0444 -26.0444 -24.3038 -24.3038 -24.2645 -24.2645 -17.6467 -17.6467 -17.2844 -17.2844 -17.1980 -17.1980 -2.5614 -2.5614 -2.4165 -2.4165 -1.7607 -1.7607 -1.3217 -1.3217 -1.2514 -1.2514 -1.2300 -1.2300 1.3012 1.3012 1.3275 1.3275 1.3653 1.3653 10.4127 10.4127 10.4610 10.4610 10.5961 10.5961 13.5362 13.5362 15.1945 15.1945 k = 0.5000 0.5000 0.4125 ( 2432 PWs) bands (ev): -47.8273 -47.8273 -26.0471 -26.0471 -24.3036 -24.3036 -24.2734 -24.2734 -17.6337 -17.6337 -17.2666 -17.2666 -17.1979 -17.1979 -2.5612 -2.5612 -2.4462 -2.4462 -1.7833 -1.7833 -1.3210 -1.3210 -1.2682 -1.2682 -1.2464 -1.2464 1.3112 1.3112 1.3382 1.3382 1.3662 1.3662 10.4396 10.4396 10.4805 10.4805 10.6070 10.6070 13.5173 13.5173 15.2659 15.2659 k = 0.5000 0.5000 0.4250 ( 2436 PWs) bands (ev): -47.8272 -47.8272 -26.0495 -26.0495 -24.3035 -24.3035 -24.2812 -24.2812 -17.6234 -17.6234 -17.2499 -17.2499 -17.1978 -17.1978 -2.5610 -2.5610 -2.4740 -2.4740 -1.8014 -1.8014 -1.3205 -1.3205 -1.2829 -1.2829 -1.2604 -1.2604 1.3197 1.3197 1.3474 1.3474 1.3673 1.3673 10.4633 10.4633 10.4962 10.4962 10.6182 10.6182 13.5007 13.5007 15.3288 15.3288 k = 0.5000 0.5000 0.4375 ( 2448 PWs) bands (ev): -47.8273 -47.8273 -26.0516 -26.0516 -24.3033 -24.3033 -24.2878 -24.2878 -17.6152 -17.6152 -17.2348 -17.2348 -17.1978 -17.1978 -2.5609 -2.5609 -2.4990 -2.4990 -1.8157 -1.8157 -1.3205 -1.3205 -1.2953 -1.2953 -1.2720 -1.2720 1.3265 1.3265 1.3552 1.3552 1.3684 1.3684 10.4837 10.4837 10.5082 10.5082 10.6292 10.6292 13.4864 13.4864 15.3827 15.3827 k = 0.5000 0.5000 0.4500 ( 2440 PWs) bands (ev): -47.8271 -47.8271 -26.0533 -26.0533 -24.3032 -24.3032 -24.2933 -24.2933 -17.6089 -17.6089 -17.2219 -17.2219 -17.1977 -17.1977 -2.5608 -2.5608 -2.5204 -2.5204 -1.8267 -1.8267 -1.3208 -1.3208 -1.3055 -1.3055 -1.2810 -1.2810 1.3318 1.3318 1.3616 1.3616 1.3697 1.3697 10.5007 10.5007 10.5172 10.5172 10.6394 10.6394 13.4746 13.4746 15.4276 15.4276 k = 0.5000 0.5000 0.4625 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0547 -26.0547 -24.3031 -24.3031 -24.2975 -24.2975 -17.6043 -17.6043 -17.2115 -17.2115 -17.1976 -17.1976 -2.5607 -2.5607 -2.5377 -2.5377 -1.8348 -1.8348 -1.3216 -1.3216 -1.3134 -1.3134 -1.2876 -1.2876 1.3357 1.3357 1.3665 1.3665 1.3709 1.3709 10.5140 10.5140 10.5237 10.5237 10.6480 10.6480 13.4654 13.4654 15.4628 15.4628 k = 0.5000 0.5000 0.4750 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0556 -26.0556 -24.3030 -24.3030 -24.3005 -24.3005 -17.6011 -17.6011 -17.2038 -17.2038 -17.1976 -17.1976 -2.5606 -2.5606 -2.5503 -2.5503 -1.8403 -1.8403 -1.3225 -1.3225 -1.3191 -1.3191 -1.2919 -1.2919 1.3383 1.3383 1.3700 1.3700 1.3719 1.3719 10.5236 10.5236 10.5280 10.5280 10.6546 10.6546 13.4587 13.4587 15.4882 15.4882 k = 0.5000 0.5000 0.4875 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0562 -26.0562 -24.3030 -24.3030 -24.3023 -24.3023 -17.5992 -17.5992 -17.1991 -17.1991 -17.1976 -17.1976 -2.5606 -2.5606 -2.5580 -2.5580 -1.8436 -1.8436 -1.3233 -1.3233 -1.3225 -1.3225 -1.2943 -1.2943 1.3397 1.3397 1.3721 1.3721 1.3726 1.3726 10.5294 10.5294 10.5305 10.5305 10.6586 10.6586 13.4547 13.4547 15.5035 15.5035 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -47.8270 -47.8270 -26.0564 -26.0564 -24.3029 -24.3029 -24.3029 -24.3029 -17.5986 -17.5986 -17.1976 -17.1976 -17.1976 -17.1976 -2.5606 -2.5606 -2.5606 -2.5606 -1.8447 -1.8447 -1.3236 -1.3236 -1.3236 -1.3236 -1.2950 -1.2950 1.3402 1.3402 1.3728 1.3728 1.3728 1.3728 10.5313 10.5313 10.5313 10.5313 10.6600 10.6600 13.4534 13.4534 15.5086 15.5086 Writing output data file NbF3.save init_run : 0.16s CPU 0.25s WALL ( 1 calls) electrons : 57.75s CPU 59.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 57.74s CPU 59.66s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 310 calls) cegterg : 52.88s CPU 53.85s WALL ( 346 calls) Called by sum_band: Called by *egterg: h_psi : 25.89s CPU 26.69s WALL ( 5983 calls) s_psi : 1.13s CPU 1.09s WALL ( 5983 calls) g_psi : 0.10s CPU 0.09s WALL ( 5327 calls) cdiaghg : 24.30s CPU 24.54s WALL ( 5637 calls) cegterg:over : 1.97s CPU 2.08s WALL ( 5327 calls) cegterg:upda : 1.34s CPU 1.40s WALL ( 5327 calls) cegterg:last : 0.96s CPU 0.98s WALL ( 966 calls) cdiaghg:chol : 1.25s CPU 1.26s WALL ( 5637 calls) cdiaghg:inve : 0.64s CPU 0.59s WALL ( 5637 calls) cdiaghg:para : 1.46s CPU 1.50s WALL ( 11274 calls) Called by h_psi: h_psi:vloc : 23.14s CPU 23.76s WALL ( 5983 calls) h_psi:vnl : 2.68s CPU 2.87s WALL ( 5983 calls) add_vuspsi : 1.28s CPU 1.38s WALL ( 5983 calls) General routines calbec : 1.39s CPU 1.47s WALL ( 5983 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 21.53s CPU 22.11s WALL ( 493988 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.17s WALL ( 620 calls) Parallel routines fft_scatter : 11.28s CPU 11.42s WALL ( 494011 calls) PWSCF : 1m 7.66s CPU 1m24.73s WALL This run was terminated on: 17:50: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=