Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:22:56 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: ./NbAgO3.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 23 7 1148 515 87 Max 41 24 8 1151 534 90 Sum 1449 861 261 41347 18853 3191 bravais-lattice index = 14 lattice parameter (alat) = 7.4829 a.u. unit-cell volume = 419.0022 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.482937 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 PseudoPot. # 2 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. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Nb 13.00 92.90640 Nb( 1.00) Ag 11.00 107.86820 Ag( 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= 309 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032362 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032362 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032362 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032362 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032362 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032362 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032362 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032362 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032362 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032362 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032362 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032362 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032362 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032362 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032362 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032362 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032362 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032362 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032362 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032362 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032362 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032362 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032362 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032362 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032362 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032362 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032362 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032362 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032362 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032362 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032362 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032362 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032362 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032362 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032362 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032362 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032362 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032362 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032362 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032362 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032362 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032362 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032362 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032362 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032362 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032362 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032362 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032362 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032362 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032362 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032362 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032362 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032362 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032362 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032362 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032362 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032362 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032362 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032362 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032362 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032362 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032362 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032362 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032362 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032362 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032362 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032362 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032362 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032362 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032362 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032362 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032362 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032362 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032362 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032362 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032362 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032362 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032362 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0032362 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0032362 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0032362 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0032362 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0032362 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0032362 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0032362 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0032362 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0032362 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0032362 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0032362 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0032362 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0032362 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0032362 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0032362 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0032362 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0032362 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0032362 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032362 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0032362 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0032362 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0032362 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0032362 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0032362 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0032362 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0032362 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0032362 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0032362 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0032362 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0032362 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0032362 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0032362 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0032362 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0032362 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0032362 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0032362 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0032362 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032362 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0032362 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0032362 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0032362 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0032362 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0032362 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0032362 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0032362 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0032362 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0032362 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0032362 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0032362 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0032362 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0032362 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0032362 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0032362 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0032362 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0032362 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0032362 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 142) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032362 k( 143) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032362 k( 144) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032362 k( 145) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032362 k( 146) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032362 k( 147) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032362 k( 148) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032362 k( 149) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032362 k( 150) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032362 k( 151) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032362 k( 152) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032362 k( 153) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032362 k( 154) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032362 k( 155) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032362 k( 156) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032362 k( 157) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032362 k( 158) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032362 k( 159) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032362 k( 160) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032362 k( 161) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032362 k( 162) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032362 k( 163) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032362 k( 164) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032362 k( 165) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032362 k( 166) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032362 k( 167) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032362 k( 168) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032362 k( 169) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032362 k( 170) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032362 k( 171) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032362 k( 172) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032362 k( 173) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032362 k( 174) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032362 k( 175) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032362 k( 176) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032362 k( 177) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032362 k( 178) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032362 k( 179) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032362 k( 180) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032362 k( 181) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032362 k( 182) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032362 k( 183) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032362 k( 184) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032362 k( 185) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032362 k( 186) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032362 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032362 k( 188) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032362 k( 189) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032362 k( 190) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032362 k( 191) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032362 k( 192) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032362 k( 193) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032362 k( 194) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032362 k( 195) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032362 k( 196) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032362 k( 197) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032362 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032362 k( 199) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032362 k( 200) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032362 k( 201) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032362 k( 202) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032362 k( 203) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032362 k( 204) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032362 k( 205) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032362 k( 206) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032362 k( 207) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032362 k( 208) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032362 k( 209) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032362 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 212) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032362 k( 213) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032362 k( 214) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032362 k( 215) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032362 k( 216) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0032362 k( 217) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032362 k( 218) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032362 k( 219) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032362 k( 220) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032362 k( 221) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032362 k( 222) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032362 k( 223) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032362 k( 224) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032362 k( 225) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032362 k( 226) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0032362 k( 227) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032362 k( 228) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032362 k( 229) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032362 k( 230) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032362 k( 231) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032362 k( 232) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032362 k( 233) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032362 k( 234) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032362 k( 235) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032362 k( 236) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0032362 k( 237) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032362 k( 238) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032362 k( 239) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032362 k( 240) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032362 k( 241) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032362 k( 242) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032362 k( 243) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0032362 k( 244) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032362 k( 245) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032362 k( 246) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032362 k( 247) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032362 k( 248) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032362 k( 249) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032362 k( 250) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032362 k( 251) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032362 k( 252) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032362 k( 253) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0032362 k( 254) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032362 k( 255) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032362 k( 256) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032362 k( 257) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032362 k( 258) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032362 k( 259) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032362 k( 260) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032362 k( 261) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032362 k( 262) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032362 k( 263) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0032362 k( 264) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032362 k( 265) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032362 k( 266) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032362 k( 267) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032362 k( 268) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 269) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 270) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032362 k( 271) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032362 k( 272) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032362 k( 273) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032362 k( 274) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032362 k( 275) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032362 k( 276) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032362 k( 277) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032362 k( 278) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032362 k( 279) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032362 k( 280) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032362 k( 281) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032362 k( 282) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032362 k( 283) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032362 k( 284) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032362 k( 285) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032362 k( 286) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032362 k( 287) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032362 k( 288) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032362 k( 289) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032362 k( 290) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032362 k( 291) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032362 k( 292) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032362 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032362 k( 294) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032362 k( 295) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032362 k( 296) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032362 k( 297) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032362 k( 298) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032362 k( 299) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032362 k( 300) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032362 k( 301) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032362 k( 302) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032362 k( 303) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032362 k( 304) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032362 k( 305) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032362 k( 306) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032362 k( 307) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032362 k( 308) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032362 k( 309) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032362 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032362 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032362 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032362 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032362 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032362 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032362 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032362 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032362 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032362 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032362 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032362 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032362 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032362 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032362 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032362 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032362 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032362 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032362 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032362 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032362 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032362 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032362 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032362 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032362 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032362 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032362 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032362 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032362 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032362 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032362 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032362 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032362 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032362 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032362 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032362 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032362 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032362 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032362 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032362 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032362 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032362 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032362 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032362 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032362 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032362 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032362 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032362 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032362 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032362 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032362 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032362 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032362 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032362 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032362 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032362 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032362 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032362 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032362 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032362 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032362 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032362 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032362 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032362 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032362 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032362 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032362 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032362 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032362 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032362 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032362 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032362 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032362 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032362 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032362 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032362 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032362 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032362 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0032362 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0032362 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0032362 k( 87) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0032362 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0032362 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0032362 k( 90) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0032362 k( 91) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0032362 k( 92) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0032362 k( 93) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0032362 k( 94) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0032362 k( 95) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0032362 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0032362 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0032362 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0032362 k( 99) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0032362 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0032362 k( 101) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0032362 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032362 k( 103) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0032362 k( 104) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0032362 k( 105) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0032362 k( 106) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0032362 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0032362 k( 108) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0032362 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0032362 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0032362 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0032362 k( 112) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0032362 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0032362 k( 114) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0032362 k( 115) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0032362 k( 116) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0032362 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0032362 k( 118) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0032362 k( 119) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0032362 k( 120) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0032362 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032362 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0032362 k( 123) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0032362 k( 124) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0032362 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0032362 k( 126) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0032362 k( 127) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0032362 k( 128) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0032362 k( 129) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0032362 k( 130) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0032362 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0032362 k( 132) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0032362 k( 133) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0032362 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0032362 k( 135) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0032362 k( 136) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0032362 k( 137) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0032362 k( 138) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0032362 k( 139) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0032362 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 142) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032362 k( 143) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032362 k( 144) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032362 k( 145) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032362 k( 146) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032362 k( 147) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032362 k( 148) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032362 k( 149) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032362 k( 150) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032362 k( 151) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032362 k( 152) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032362 k( 153) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032362 k( 154) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032362 k( 155) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032362 k( 156) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032362 k( 157) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032362 k( 158) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032362 k( 159) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032362 k( 160) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032362 k( 161) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032362 k( 162) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032362 k( 163) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032362 k( 164) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032362 k( 165) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032362 k( 166) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032362 k( 167) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032362 k( 168) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032362 k( 169) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032362 k( 170) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032362 k( 171) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032362 k( 172) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032362 k( 173) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032362 k( 174) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032362 k( 175) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032362 k( 176) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032362 k( 177) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032362 k( 178) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032362 k( 179) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032362 k( 180) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032362 k( 181) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032362 k( 182) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032362 k( 183) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032362 k( 184) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032362 k( 185) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032362 k( 186) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032362 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032362 k( 188) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032362 k( 189) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032362 k( 190) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032362 k( 191) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032362 k( 192) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032362 k( 193) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032362 k( 194) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032362 k( 195) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032362 k( 196) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032362 k( 197) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032362 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032362 k( 199) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032362 k( 200) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032362 k( 201) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032362 k( 202) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032362 k( 203) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032362 k( 204) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032362 k( 205) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032362 k( 206) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032362 k( 207) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032362 k( 208) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032362 k( 209) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032362 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 212) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032362 k( 213) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032362 k( 214) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032362 k( 215) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032362 k( 216) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0032362 k( 217) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032362 k( 218) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032362 k( 219) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032362 k( 220) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032362 k( 221) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032362 k( 222) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032362 k( 223) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032362 k( 224) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032362 k( 225) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032362 k( 226) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0032362 k( 227) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032362 k( 228) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032362 k( 229) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032362 k( 230) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032362 k( 231) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032362 k( 232) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032362 k( 233) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032362 k( 234) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032362 k( 235) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032362 k( 236) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0032362 k( 237) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032362 k( 238) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032362 k( 239) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032362 k( 240) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032362 k( 241) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032362 k( 242) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032362 k( 243) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0032362 k( 244) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032362 k( 245) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032362 k( 246) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032362 k( 247) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032362 k( 248) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032362 k( 249) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032362 k( 250) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032362 k( 251) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032362 k( 252) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032362 k( 253) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0032362 k( 254) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032362 k( 255) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032362 k( 256) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032362 k( 257) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032362 k( 258) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032362 k( 259) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032362 k( 260) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032362 k( 261) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032362 k( 262) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032362 k( 263) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0032362 k( 264) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032362 k( 265) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032362 k( 266) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032362 k( 267) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032362 k( 268) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 270) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032362 k( 271) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032362 k( 272) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032362 k( 273) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032362 k( 274) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032362 k( 275) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032362 k( 276) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032362 k( 277) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032362 k( 278) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032362 k( 279) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032362 k( 280) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032362 k( 281) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032362 k( 282) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032362 k( 283) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032362 k( 284) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032362 k( 285) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032362 k( 286) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032362 k( 287) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032362 k( 288) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032362 k( 289) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032362 k( 290) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032362 k( 291) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032362 k( 292) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032362 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032362 k( 294) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032362 k( 295) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032362 k( 296) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032362 k( 297) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032362 k( 298) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032362 k( 299) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032362 k( 300) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032362 k( 301) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032362 k( 302) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032362 k( 303) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032362 k( 304) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032362 k( 305) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032362 k( 306) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032362 k( 307) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032362 k( 308) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032362 k( 309) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 Dense grid: 41347 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 18853 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 144, 50) NL pseudopotentials 0.12 Mb ( 72, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1150) G-vector shells 0.00 Mb ( 276) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 144, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 110, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NbAgO3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.5 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 6.0 secs Computing kpt #: 15 total cpu time spent up to now is 6.2 secs Computing kpt #: 16 total cpu time spent up to now is 6.5 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.0 secs Computing kpt #: 19 total cpu time spent up to now is 7.3 secs Computing kpt #: 20 total cpu time spent up to now is 7.5 secs Computing kpt #: 21 total cpu time spent up to now is 7.8 secs Computing kpt #: 22 total cpu time spent up to now is 8.0 secs Computing kpt #: 23 total cpu time spent up to now is 8.3 secs Computing kpt #: 24 total cpu time spent up to now is 8.5 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.0 secs Computing kpt #: 27 total cpu time spent up to now is 9.3 secs Computing kpt #: 28 total cpu time spent up to now is 9.6 secs Computing kpt #: 29 total cpu time spent up to now is 9.8 secs Computing kpt #: 30 total cpu time spent up to now is 10.1 secs Computing kpt #: 31 total cpu time spent up to now is 10.3 secs Computing kpt #: 32 total cpu time spent up to now is 10.6 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.1 secs Computing kpt #: 35 total cpu time spent up to now is 11.4 secs Computing kpt #: 36 total cpu time spent up to now is 11.7 secs Computing kpt #: 37 total cpu time spent up to now is 12.0 secs Computing kpt #: 38 total cpu time spent up to now is 12.3 secs Computing kpt #: 39 total cpu time spent up to now is 12.5 secs Computing kpt #: 40 total cpu time spent up to now is 12.8 secs Computing kpt #: 41 total cpu time spent up to now is 13.1 secs Computing kpt #: 42 total cpu time spent up to now is 13.4 secs Computing kpt #: 43 total cpu time spent up to now is 13.7 secs Computing kpt #: 44 total cpu time spent up to now is 13.9 secs Computing kpt #: 45 total cpu time spent up to now is 14.2 secs Computing kpt #: 46 total cpu time spent up to now is 14.5 secs Computing kpt #: 47 total cpu time spent up to now is 14.8 secs Computing kpt #: 48 total cpu time spent up to now is 15.1 secs Computing kpt #: 49 total cpu time spent up to now is 15.3 secs Computing kpt #: 50 total cpu time spent up to now is 15.6 secs Computing kpt #: 51 total cpu time spent up to now is 15.9 secs Computing kpt #: 52 total cpu time spent up to now is 16.1 secs Computing kpt #: 53 total cpu time spent up to now is 16.4 secs Computing kpt #: 54 total cpu time spent up to now is 16.7 secs Computing kpt #: 55 total cpu time spent up to now is 16.9 secs Computing kpt #: 56 total cpu time spent up to now is 17.2 secs Computing kpt #: 57 total cpu time spent up to now is 17.4 secs Computing kpt #: 58 total cpu time spent up to now is 17.7 secs Computing kpt #: 59 total cpu time spent up to now is 17.9 secs Computing kpt #: 60 total cpu time spent up to now is 18.2 secs Computing kpt #: 61 total cpu time spent up to now is 18.4 secs Computing kpt #: 62 total cpu time spent up to now is 18.7 secs Computing kpt #: 63 total cpu time spent up to now is 18.9 secs Computing kpt #: 64 total cpu time spent up to now is 19.2 secs Computing kpt #: 65 total cpu time spent up to now is 19.4 secs Computing kpt #: 66 total cpu time spent up to now is 19.7 secs Computing kpt #: 67 total cpu time spent up to now is 19.9 secs Computing kpt #: 68 total cpu time spent up to now is 20.2 secs Computing kpt #: 69 total cpu time spent up to now is 20.5 secs Computing kpt #: 70 total cpu time spent up to now is 20.7 secs Computing kpt #: 71 total cpu time spent up to now is 21.0 secs Computing kpt #: 72 total cpu time spent up to now is 21.3 secs Computing kpt #: 73 total cpu time spent up to now is 21.5 secs Computing kpt #: 74 total cpu time spent up to now is 21.8 secs Computing kpt #: 75 total cpu time spent up to now is 22.0 secs Computing kpt #: 76 total cpu time spent up to now is 22.3 secs Computing kpt #: 77 total cpu time spent up to now is 22.6 secs Computing kpt #: 78 total cpu time spent up to now is 22.8 secs Computing kpt #: 79 total cpu time spent up to now is 23.1 secs Computing kpt #: 80 total cpu time spent up to now is 23.3 secs Computing kpt #: 81 total cpu time spent up to now is 23.6 secs Computing kpt #: 82 total cpu time spent up to now is 23.9 secs Computing kpt #: 83 total cpu time spent up to now is 24.1 secs Computing kpt #: 84 total cpu time spent up to now is 24.4 secs Computing kpt #: 85 total cpu time spent up to now is 24.6 secs Computing kpt #: 86 total cpu time spent up to now is 24.9 secs Computing kpt #: 87 total cpu time spent up to now is 25.2 secs Computing kpt #: 88 total cpu time spent up to now is 25.4 secs Computing kpt #: 89 total cpu time spent up to now is 25.7 secs Computing kpt #: 90 total cpu time spent up to now is 25.9 secs Computing kpt #: 91 total cpu time spent up to now is 26.2 secs Computing kpt #: 92 total cpu time spent up to now is 26.5 secs Computing kpt #: 93 total cpu time spent up to now is 26.8 secs Computing kpt #: 94 total cpu time spent up to now is 27.0 secs Computing kpt #: 95 total cpu time spent up to now is 27.3 secs Computing kpt #: 96 total cpu time spent up to now is 27.6 secs Computing kpt #: 97 total cpu time spent up to now is 27.9 secs Computing kpt #: 98 total cpu time spent up to now is 28.2 secs Computing kpt #: 99 total cpu time spent up to now is 28.4 secs Computing kpt #: 100 total cpu time spent up to now is 28.7 secs Computing kpt #: 101 total cpu time spent up to now is 29.0 secs Computing kpt #: 102 total cpu time spent up to now is 29.3 secs Computing kpt #: 103 total cpu time spent up to now is 29.6 secs Computing kpt #: 104 total cpu time spent up to now is 29.8 secs Computing kpt #: 105 total cpu time spent up to now is 30.1 secs Computing kpt #: 106 total cpu time spent up to now is 30.4 secs Computing kpt #: 107 total cpu time spent up to now is 30.7 secs Computing kpt #: 108 total cpu time spent up to now is 31.0 secs Computing kpt #: 109 total cpu time spent up to now is 31.2 secs Computing kpt #: 110 total cpu time spent up to now is 31.5 secs Computing kpt #: 111 total cpu time spent up to now is 31.8 secs Computing kpt #: 112 total cpu time spent up to now is 32.1 secs Computing kpt #: 113 total cpu time spent up to now is 32.4 secs Computing kpt #: 114 total cpu time spent up to now is 32.6 secs Computing kpt #: 115 total cpu time spent up to now is 32.9 secs Computing kpt #: 116 total cpu time spent up to now is 33.2 secs Computing kpt #: 117 total cpu time spent up to now is 33.5 secs Computing kpt #: 118 total cpu time spent up to now is 33.7 secs Computing kpt #: 119 total cpu time spent up to now is 34.0 secs Computing kpt #: 120 total cpu time spent up to now is 34.3 secs Computing kpt #: 121 total cpu time spent up to now is 34.6 secs Computing kpt #: 122 total cpu time spent up to now is 34.9 secs Computing kpt #: 123 total cpu time spent up to now is 35.1 secs Computing kpt #: 124 total cpu time spent up to now is 35.4 secs Computing kpt #: 125 total cpu time spent up to now is 35.7 secs Computing kpt #: 126 total cpu time spent up to now is 35.9 secs Computing kpt #: 127 total cpu time spent up to now is 36.2 secs Computing kpt #: 128 total cpu time spent up to now is 36.4 secs Computing kpt #: 129 total cpu time spent up to now is 36.7 secs Computing kpt #: 130 total cpu time spent up to now is 36.9 secs Computing kpt #: 131 total cpu time spent up to now is 37.2 secs Computing kpt #: 132 total cpu time spent up to now is 37.5 secs Computing kpt #: 133 total cpu time spent up to now is 37.7 secs Computing kpt #: 134 total cpu time spent up to now is 37.9 secs Computing kpt #: 135 total cpu time spent up to now is 38.1 secs Computing kpt #: 136 total cpu time spent up to now is 38.4 secs Computing kpt #: 137 total cpu time spent up to now is 38.6 secs Computing kpt #: 138 total cpu time spent up to now is 38.8 secs Computing kpt #: 139 total cpu time spent up to now is 39.1 secs Computing kpt #: 140 total cpu time spent up to now is 39.3 secs Computing kpt #: 141 total cpu time spent up to now is 39.5 secs Computing kpt #: 142 total cpu time spent up to now is 39.7 secs Computing kpt #: 143 total cpu time spent up to now is 40.0 secs Computing kpt #: 144 total cpu time spent up to now is 40.2 secs Computing kpt #: 145 total cpu time spent up to now is 40.4 secs Computing kpt #: 146 total cpu time spent up to now is 40.6 secs Computing kpt #: 147 total cpu time spent up to now is 40.9 secs Computing kpt #: 148 total cpu time spent up to now is 41.2 secs Computing kpt #: 149 total cpu time spent up to now is 41.4 secs Computing kpt #: 150 total cpu time spent up to now is 41.7 secs Computing kpt #: 151 total cpu time spent up to now is 41.9 secs Computing kpt #: 152 total cpu time spent up to now is 42.2 secs Computing kpt #: 153 total cpu time spent up to now is 42.4 secs Computing kpt #: 154 total cpu time spent up to now is 42.7 secs Computing kpt #: 155 total cpu time spent up to now is 42.9 secs Computing kpt #: 156 total cpu time spent up to now is 43.2 secs Computing kpt #: 157 total cpu time spent up to now is 43.4 secs Computing kpt #: 158 total cpu time spent up to now is 43.7 secs Computing kpt #: 159 total cpu time spent up to now is 43.9 secs Computing kpt #: 160 total cpu time spent up to now is 44.2 secs Computing kpt #: 161 total cpu time spent up to now is 44.4 secs Computing kpt #: 162 total cpu time spent up to now is 44.7 secs Computing kpt #: 163 total cpu time spent up to now is 45.0 secs Computing kpt #: 164 total cpu time spent up to now is 45.2 secs Computing kpt #: 165 total cpu time spent up to now is 45.5 secs Computing kpt #: 166 total cpu time spent up to now is 45.7 secs Computing kpt #: 167 total cpu time spent up to now is 46.0 secs Computing kpt #: 168 total cpu time spent up to now is 46.2 secs Computing kpt #: 169 total cpu time spent up to now is 46.5 secs Computing kpt #: 170 total cpu time spent up to now is 46.7 secs Computing kpt #: 171 total cpu time spent up to now is 47.0 secs Computing kpt #: 172 total cpu time spent up to now is 47.3 secs Computing kpt #: 173 total cpu time spent up to now is 47.5 secs Computing kpt #: 174 total cpu time spent up to now is 47.8 secs Computing kpt #: 175 total cpu time spent up to now is 48.0 secs Computing kpt #: 176 total cpu time spent up to now is 48.3 secs Computing kpt #: 177 total cpu time spent up to now is 48.5 secs Computing kpt #: 178 total cpu time spent up to now is 48.8 secs Computing kpt #: 179 total cpu time spent up to now is 49.0 secs Computing kpt #: 180 total cpu time spent up to now is 49.3 secs Computing kpt #: 181 total cpu time spent up to now is 49.5 secs Computing kpt #: 182 total cpu time spent up to now is 49.8 secs Computing kpt #: 183 total cpu time spent up to now is 50.0 secs Computing kpt #: 184 total cpu time spent up to now is 50.3 secs Computing kpt #: 185 total cpu time spent up to now is 50.5 secs Computing kpt #: 186 total cpu time spent up to now is 50.8 secs Computing kpt #: 187 total cpu time spent up to now is 51.0 secs Computing kpt #: 188 total cpu time spent up to now is 51.3 secs Computing kpt #: 189 total cpu time spent up to now is 51.5 secs Computing kpt #: 190 total cpu time spent up to now is 51.8 secs Computing kpt #: 191 total cpu time spent up to now is 52.0 secs Computing kpt #: 192 total cpu time spent up to now is 52.3 secs Computing kpt #: 193 total cpu time spent up to now is 52.5 secs Computing kpt #: 194 total cpu time spent up to now is 52.8 secs Computing kpt #: 195 total cpu time spent up to now is 53.0 secs Computing kpt #: 196 total cpu time spent up to now is 53.3 secs Computing kpt #: 197 total cpu time spent up to now is 53.5 secs Computing kpt #: 198 total cpu time spent up to now is 53.7 secs Computing kpt #: 199 total cpu time spent up to now is 54.0 secs Computing kpt #: 200 total cpu time spent up to now is 54.2 secs Computing kpt #: 201 total cpu time spent up to now is 54.5 secs Computing kpt #: 202 total cpu time spent up to now is 54.7 secs Computing kpt #: 203 total cpu time spent up to now is 54.9 secs Computing kpt #: 204 total cpu time spent up to now is 55.2 secs Computing kpt #: 205 total cpu time spent up to now is 55.4 secs Computing kpt #: 206 total cpu time spent up to now is 55.6 secs Computing kpt #: 207 total cpu time spent up to now is 55.9 secs Computing kpt #: 208 total cpu time spent up to now is 56.1 secs Computing kpt #: 209 total cpu time spent up to now is 56.3 secs Computing kpt #: 210 total cpu time spent up to now is 56.6 secs Computing kpt #: 211 total cpu time spent up to now is 56.8 secs Computing kpt #: 212 total cpu time spent up to now is 57.0 secs Computing kpt #: 213 total cpu time spent up to now is 57.3 secs Computing kpt #: 214 total cpu time spent up to now is 57.5 secs Computing kpt #: 215 total cpu time spent up to now is 57.7 secs Computing kpt #: 216 total cpu time spent up to now is 57.9 secs Computing kpt #: 217 total cpu time spent up to now is 58.2 secs Computing kpt #: 218 total cpu time spent up to now is 58.4 secs Computing kpt #: 219 total cpu time spent up to now is 58.6 secs Computing kpt #: 220 total cpu time spent up to now is 58.9 secs Computing kpt #: 221 total cpu time spent up to now is 59.1 secs Computing kpt #: 222 total cpu time spent up to now is 59.4 secs Computing kpt #: 223 total cpu time spent up to now is 59.6 secs Computing kpt #: 224 total cpu time spent up to now is 59.8 secs Computing kpt #: 225 total cpu time spent up to now is 60.1 secs Computing kpt #: 226 total cpu time spent up to now is 60.3 secs Computing kpt #: 227 total cpu time spent up to now is 60.6 secs Computing kpt #: 228 total cpu time spent up to now is 60.8 secs Computing kpt #: 229 total cpu time spent up to now is 61.0 secs Computing kpt #: 230 total cpu time spent up to now is 61.3 secs Computing kpt #: 231 total cpu time spent up to now is 61.5 secs Computing kpt #: 232 total cpu time spent up to now is 61.8 secs Computing kpt #: 233 total cpu time spent up to now is 62.0 secs Computing kpt #: 234 total cpu time spent up to now is 62.3 secs Computing kpt #: 235 total cpu time spent up to now is 62.5 secs Computing kpt #: 236 total cpu time spent up to now is 62.8 secs Computing kpt #: 237 total cpu time spent up to now is 63.0 secs Computing kpt #: 238 total cpu time spent up to now is 63.3 secs Computing kpt #: 239 total cpu time spent up to now is 63.5 secs Computing kpt #: 240 total cpu time spent up to now is 63.8 secs Computing kpt #: 241 total cpu time spent up to now is 64.0 secs Computing kpt #: 242 total cpu time spent up to now is 64.3 secs Computing kpt #: 243 total cpu time spent up to now is 64.6 secs Computing kpt #: 244 total cpu time spent up to now is 64.8 secs Computing kpt #: 245 total cpu time spent up to now is 65.1 secs Computing kpt #: 246 total cpu time spent up to now is 65.3 secs Computing kpt #: 247 total cpu time spent up to now is 65.6 secs Computing kpt #: 248 total cpu time spent up to now is 65.8 secs Computing kpt #: 249 total cpu time spent up to now is 66.1 secs Computing kpt #: 250 total cpu time spent up to now is 66.3 secs Computing kpt #: 251 total cpu time spent up to now is 66.6 secs Computing kpt #: 252 total cpu time spent up to now is 66.8 secs Computing kpt #: 253 total cpu time spent up to now is 67.1 secs Computing kpt #: 254 total cpu time spent up to now is 67.4 secs Computing kpt #: 255 total cpu time spent up to now is 67.6 secs Computing kpt #: 256 total cpu time spent up to now is 67.9 secs Computing kpt #: 257 total cpu time spent up to now is 68.1 secs Computing kpt #: 258 total cpu time spent up to now is 68.4 secs Computing kpt #: 259 total cpu time spent up to now is 68.7 secs Computing kpt #: 260 total cpu time spent up to now is 68.9 secs Computing kpt #: 261 total cpu time spent up to now is 69.2 secs Computing kpt #: 262 total cpu time spent up to now is 69.5 secs Computing kpt #: 263 total cpu time spent up to now is 69.8 secs Computing kpt #: 264 total cpu time spent up to now is 70.0 secs Computing kpt #: 265 total cpu time spent up to now is 70.3 secs Computing kpt #: 266 total cpu time spent up to now is 70.6 secs Computing kpt #: 267 total cpu time spent up to now is 70.8 secs Computing kpt #: 268 total cpu time spent up to now is 71.1 secs Computing kpt #: 269 total cpu time spent up to now is 71.3 secs Computing kpt #: 270 total cpu time spent up to now is 71.6 secs Computing kpt #: 271 total cpu time spent up to now is 71.9 secs Computing kpt #: 272 total cpu time spent up to now is 72.1 secs Computing kpt #: 273 total cpu time spent up to now is 72.4 secs Computing kpt #: 274 total cpu time spent up to now is 72.6 secs Computing kpt #: 275 total cpu time spent up to now is 72.9 secs Computing kpt #: 276 total cpu time spent up to now is 73.1 secs Computing kpt #: 277 total cpu time spent up to now is 73.4 secs Computing kpt #: 278 total cpu time spent up to now is 73.6 secs Computing kpt #: 279 total cpu time spent up to now is 73.9 secs Computing kpt #: 280 total cpu time spent up to now is 74.1 secs Computing kpt #: 281 total cpu time spent up to now is 74.4 secs Computing kpt #: 282 total cpu time spent up to now is 74.6 secs Computing kpt #: 283 total cpu time spent up to now is 74.9 secs Computing kpt #: 284 total cpu time spent up to now is 75.1 secs Computing kpt #: 285 total cpu time spent up to now is 75.4 secs Computing kpt #: 286 total cpu time spent up to now is 75.6 secs Computing kpt #: 287 total cpu time spent up to now is 75.8 secs Computing kpt #: 288 total cpu time spent up to now is 76.1 secs Computing kpt #: 289 total cpu time spent up to now is 76.3 secs Computing kpt #: 290 total cpu time spent up to now is 76.6 secs Computing kpt #: 291 total cpu time spent up to now is 76.8 secs Computing kpt #: 292 total cpu time spent up to now is 77.1 secs Computing kpt #: 293 total cpu time spent up to now is 77.3 secs Computing kpt #: 294 total cpu time spent up to now is 77.5 secs Computing kpt #: 295 total cpu time spent up to now is 77.8 secs Computing kpt #: 296 total cpu time spent up to now is 78.0 secs Computing kpt #: 297 total cpu time spent up to now is 78.2 secs Computing kpt #: 298 total cpu time spent up to now is 78.5 secs Computing kpt #: 299 total cpu time spent up to now is 78.7 secs Computing kpt #: 300 total cpu time spent up to now is 79.0 secs Computing kpt #: 301 total cpu time spent up to now is 79.2 secs Computing kpt #: 302 total cpu time spent up to now is 79.4 secs Computing kpt #: 303 total cpu time spent up to now is 79.7 secs Computing kpt #: 304 total cpu time spent up to now is 79.9 secs Computing kpt #: 305 total cpu time spent up to now is 80.1 secs Computing kpt #: 306 total cpu time spent up to now is 80.3 secs Computing kpt #: 307 total cpu time spent up to now is 80.6 secs Computing kpt #: 308 total cpu time spent up to now is 80.8 secs Computing kpt #: 309 total cpu time spent up to now is 81.0 secs ethr = 2.38E-08, avg # of iterations = 13.7 total cpu time spent up to now is 81.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -45.4610 -45.4610 -23.0404 -23.0404 -20.9501 -20.9501 -20.9501 -20.9501 -8.1384 -8.1384 -7.5956 -7.5956 -7.5956 -7.5956 6.5211 6.5211 6.7236 6.7236 6.7236 6.7236 7.6369 7.6369 7.6369 7.6369 8.1543 8.1543 8.1543 8.1543 8.1552 8.1552 8.1552 8.1552 8.1717 8.1717 8.2018 8.2018 8.4239 8.4239 8.5420 8.5420 8.5420 8.5420 11.1691 11.1691 11.1691 11.1691 11.3093 11.3093 11.3846 11.3846 k = 0.0000 0.0125-0.0000 ( 2357 PWs) bands (ev): -45.4608 -45.4608 -23.0404 -23.0404 -20.9502 -20.9502 -20.9501 -20.9501 -8.1376 -8.1376 -7.5955 -7.5955 -7.5946 -7.5946 6.5197 6.5197 6.7212 6.7212 6.7228 6.7228 7.6340 7.6340 7.6353 7.6353 8.1067 8.1067 8.1186 8.1186 8.1472 8.1472 8.1926 8.1926 8.1985 8.1985 8.2332 8.2332 8.4206 8.4206 8.5363 8.5363 8.5410 8.5410 11.1705 11.1705 11.1738 11.1738 11.3123 11.3123 11.3890 11.3890 k = 0.0000 0.0250-0.0000 ( 2353 PWs) bands (ev): -45.4607 -45.4607 -23.0406 -23.0406 -20.9508 -20.9508 -20.9500 -20.9500 -8.1354 -8.1354 -7.5954 -7.5954 -7.5917 -7.5917 6.5154 6.5154 6.7143 6.7143 6.7206 6.7206 7.6249 7.6249 7.6298 7.6298 8.0549 8.0549 8.0845 8.0845 8.1187 8.1187 8.2313 8.2313 8.2386 8.2386 8.2804 8.2804 8.4099 8.4099 8.5204 8.5204 8.5380 8.5380 11.1742 11.1742 11.1878 11.1878 11.3216 11.3216 11.4021 11.4021 k = 0.0000 0.0375-0.0000 ( 2353 PWs) bands (ev): -45.4607 -45.4607 -23.0409 -23.0409 -20.9517 -20.9517 -20.9500 -20.9500 -8.1316 -8.1316 -7.5952 -7.5952 -7.5869 -7.5869 6.5080 6.5080 6.7030 6.7030 6.7169 6.7169 7.6101 7.6101 7.6203 7.6203 8.0012 8.0012 8.0532 8.0532 8.0942 8.0942 8.2704 8.2704 8.2786 8.2786 8.3299 8.3299 8.3888 8.3888 8.4982 8.4982 8.5333 8.5333 11.1791 11.1791 11.2108 11.2108 11.3381 11.3381 11.4237 11.4237 k = 0.0000 0.0500-0.0000 ( 2353 PWs) bands (ev): -45.4607 -45.4607 -23.0413 -23.0413 -20.9530 -20.9530 -20.9499 -20.9499 -8.1266 -8.1266 -7.5949 -7.5949 -7.5801 -7.5801 6.4971 6.4971 6.6878 6.6878 6.7118 6.7118 7.5898 7.5898 7.6064 7.6064 7.9465 7.9465 8.0252 8.0252 8.0738 8.0738 8.3078 8.3078 8.3192 8.3192 8.3544 8.3544 8.3793 8.3793 8.4758 8.4758 8.5275 8.5275 11.1837 11.1837 11.2426 11.2426 11.3628 11.3628 11.4535 11.4535 k = 0.0000 0.0625-0.0000 ( 2361 PWs) bands (ev): -45.4608 -45.4608 -23.0418 -23.0418 -20.9546 -20.9546 -20.9498 -20.9498 -8.1202 -8.1202 -7.5945 -7.5945 -7.5712 -7.5712 6.4822 6.4822 6.6694 6.6694 6.7054 6.7054 7.5646 7.5646 7.5877 7.5877 7.8910 7.8910 8.0012 8.0012 8.0572 8.0572 8.2957 8.2957 8.3504 8.3504 8.3603 8.3603 8.4268 8.4268 8.4585 8.4585 8.5222 8.5222 11.1873 11.1873 11.2826 11.2826 11.3964 11.3964 11.4910 11.4910 k = 0.0000 0.0750-0.0000 ( 2369 PWs) bands (ev): -45.4608 -45.4608 -23.0425 -23.0425 -20.9566 -20.9566 -20.9498 -20.9498 -8.1127 -8.1127 -7.5940 -7.5940 -7.5602 -7.5602 6.4624 6.4624 6.6487 6.6487 6.6976 6.6976 7.5352 7.5352 7.5640 7.5640 7.8349 7.8349 7.9816 7.9816 8.0441 8.0441 8.2288 8.2288 8.3790 8.3790 8.4011 8.4011 8.4514 8.4514 8.4668 8.4668 8.5236 8.5236 11.1893 11.1893 11.3302 11.3302 11.4386 11.4386 11.5356 11.5356 k = 0.0000 0.0875-0.0000 ( 2365 PWs) bands (ev): -45.4607 -45.4607 -23.0432 -23.0432 -20.9589 -20.9589 -20.9496 -20.9496 -8.1043 -8.1043 -7.5935 -7.5935 -7.5471 -7.5471 6.4368 6.4368 6.6268 6.6268 6.6886 6.6886 7.5022 7.5022 7.5354 7.5354 7.7784 7.7784 7.9665 7.9665 8.0341 8.0341 8.1488 8.1488 8.3889 8.3889 8.4388 8.4388 8.4660 8.4660 8.4850 8.4850 8.5491 8.5491 11.1899 11.1899 11.3850 11.3850 11.4890 11.4890 11.5870 11.5870 k = 0.0000 0.1000-0.0000 ( 2365 PWs) bands (ev): -45.4607 -45.4607 -23.0440 -23.0440 -20.9615 -20.9615 -20.9495 -20.9495 -8.0950 -8.0950 -7.5928 -7.5928 -7.5316 -7.5316 6.4044 6.4044 6.6047 6.6047 6.6785 6.6785 7.4665 7.4665 7.5022 7.5022 7.7216 7.7216 7.9557 7.9557 8.0267 8.0267 8.0596 8.0596 8.3815 8.3815 8.4578 8.4578 8.4989 8.4989 8.5033 8.5033 8.5921 8.5921 11.1891 11.1891 11.4463 11.4463 11.5466 11.5466 11.6446 11.6446 k = 0.0000 0.1125-0.0000 ( 2365 PWs) bands (ev): -45.4606 -45.4606 -23.0450 -23.0450 -20.9644 -20.9644 -20.9494 -20.9494 -8.0852 -8.0852 -7.5921 -7.5921 -7.5138 -7.5138 6.3644 6.3644 6.5833 6.5833 6.6674 6.6674 7.4285 7.4285 7.4649 7.4649 7.6646 7.6646 7.9487 7.9487 7.9638 7.9638 8.0214 8.0214 8.3687 8.3687 8.4536 8.4536 8.5378 8.5378 8.5401 8.5401 8.6389 8.6389 11.1873 11.1873 11.5135 11.5135 11.6108 11.6108 11.7079 11.7079 k = 0.0000 0.1250-0.0000 ( 2373 PWs) bands (ev): -45.4606 -45.4606 -23.0460 -23.0460 -20.9676 -20.9676 -20.9492 -20.9492 -8.0749 -8.0749 -7.5914 -7.5914 -7.4937 -7.4937 6.3166 6.3166 6.5630 6.5630 6.6553 6.6553 7.3888 7.3888 7.4241 7.4241 7.6077 7.6077 7.8633 7.8633 7.9450 7.9450 8.0179 8.0179 8.3543 8.3543 8.4432 8.4432 8.5786 8.5786 8.5814 8.5814 8.6862 8.6862 11.1846 11.1846 11.5857 11.5857 11.6807 11.6807 11.7765 11.7765 k = 0.0000 0.1375-0.0000 ( 2369 PWs) bands (ev): -45.4605 -45.4605 -23.0471 -23.0471 -20.9710 -20.9710 -20.9491 -20.9491 -8.0643 -8.0643 -7.5906 -7.5906 -7.4710 -7.4710 6.2609 6.2609 6.5438 6.5438 6.6424 6.6424 7.3480 7.3480 7.3806 7.3806 7.5509 7.5509 7.7602 7.7602 7.9442 7.9442 8.0159 8.0159 8.3396 8.3396 8.4313 8.4313 8.6201 8.6201 8.6235 8.6235 8.7335 8.7335 11.1812 11.1812 11.6626 11.6626 11.7555 11.7555 11.8500 11.8500 k = 0.0000 0.1500-0.0000 ( 2361 PWs) bands (ev): -45.4603 -45.4603 -23.0483 -23.0483 -20.9746 -20.9746 -20.9489 -20.9489 -8.0536 -8.0536 -7.5897 -7.5897 -7.4460 -7.4460 6.1976 6.1976 6.5256 6.5256 6.6288 6.6288 7.3064 7.3064 7.3350 7.3350 7.4946 7.4946 7.6560 7.6560 7.9455 7.9455 8.0152 8.0152 8.3252 8.3252 8.4190 8.4190 8.6619 8.6619 8.6656 8.6656 8.7804 8.7804 11.1772 11.1772 11.7434 11.7434 11.8345 11.8345 11.9281 11.9281 k = 0.0000 0.1625-0.0000 ( 2369 PWs) bands (ev): -45.4603 -45.4603 -23.0495 -23.0495 -20.9784 -20.9784 -20.9487 -20.9487 -8.0430 -8.0430 -7.5887 -7.5887 -7.4185 -7.4185 6.1270 6.1270 6.5081 6.5081 6.6146 6.6146 7.2642 7.2642 7.2877 7.2877 7.4388 7.4388 7.5523 7.5523 7.9486 7.9486 8.0153 8.0153 8.3112 8.3112 8.4066 8.4066 8.7035 8.7035 8.7073 8.7073 8.8265 8.8265 11.1727 11.1727 11.8275 11.8275 11.9171 11.9171 12.0104 12.0104 k = 0.0000 0.1750-0.0000 ( 2369 PWs) bands (ev): -45.4602 -45.4602 -23.0509 -23.0509 -20.9824 -20.9824 -20.9485 -20.9485 -8.0325 -8.0325 -7.5878 -7.5878 -7.3887 -7.3887 6.0495 6.0495 6.4912 6.4912 6.6000 6.6000 7.2218 7.2218 7.2394 7.2394 7.3839 7.3839 7.4505 7.4505 7.9530 7.9530 8.0163 8.0163 8.2979 8.2979 8.3944 8.3944 8.7449 8.7449 8.7486 8.7486 8.8720 8.8720 11.1678 11.1678 11.9143 11.9143 12.0027 12.0027 12.0966 12.0966 k = 0.0000 0.1875-0.0000 ( 2361 PWs) bands (ev): -45.4600 -45.4600 -23.0522 -23.0522 -20.9866 -20.9866 -20.9483 -20.9483 -8.0224 -8.0224 -7.5867 -7.5867 -7.3565 -7.3565 5.9655 5.9655 6.4748 6.4748 6.5850 6.5850 7.1794 7.1794 7.1905 7.1905 7.3300 7.3300 7.3516 7.3516 7.9585 7.9585 8.0181 8.0181 8.2856 8.2856 8.3827 8.3827 8.7861 8.7861 8.7892 8.7892 8.9167 8.9167 11.1625 11.1625 12.0034 12.0034 12.0907 12.0907 12.1864 12.1864 k = 0.0000 0.2000-0.0000 ( 2365 PWs) bands (ev): -45.4600 -45.4600 -23.0537 -23.0537 -20.9909 -20.9909 -20.9481 -20.9481 -8.0126 -8.0126 -7.5857 -7.5857 -7.3223 -7.3223 5.8755 5.8755 6.4589 6.4589 6.5698 6.5698 7.1369 7.1369 7.1412 7.1412 7.2565 7.2565 7.2773 7.2773 7.9649 7.9649 8.0203 8.0203 8.2741 8.2741 8.3714 8.3714 8.8266 8.8266 8.8290 8.8290 8.9604 8.9604 11.1569 11.1569 12.0940 12.0940 12.1804 12.1804 12.2795 12.2795 k = 0.0000 0.2125-0.0000 ( 2357 PWs) bands (ev): -45.4597 -45.4597 -23.0551 -23.0551 -20.9952 -20.9952 -20.9479 -20.9479 -8.0032 -8.0032 -7.5846 -7.5846 -7.2860 -7.2860 5.7800 5.7800 6.4433 6.4433 6.5545 6.5545 7.0920 7.0920 7.0947 7.0947 7.1659 7.1659 7.2261 7.2261 7.9717 7.9717 8.0230 8.0230 8.2638 8.2638 8.3608 8.3608 8.8668 8.8668 8.8680 8.8680 9.0032 9.0032 11.1511 11.1511 12.1859 12.1859 12.2714 12.2714 12.3757 12.3757 k = 0.0000 0.2250-0.0000 ( 2353 PWs) bands (ev): -45.4596 -45.4596 -23.0566 -23.0566 -20.9996 -20.9996 -20.9476 -20.9476 -7.9942 -7.9942 -7.5835 -7.5835 -7.2480 -7.2480 5.6798 5.6798 6.4282 6.4282 6.5392 6.5392 7.0429 7.0429 7.0528 7.0528 7.0804 7.0804 7.1766 7.1766 7.9788 7.9788 8.0261 8.0261 8.2546 8.2546 8.3507 8.3507 8.9059 8.9059 8.9061 8.9061 9.0450 9.0450 11.1450 11.1450 12.2784 12.2784 12.3631 12.3631 12.4747 12.4747 k = 0.0000 0.2375-0.0000 ( 2353 PWs) bands (ev): -45.4595 -45.4595 -23.0582 -23.0582 -21.0041 -21.0041 -20.9474 -20.9474 -7.9858 -7.9858 -7.5824 -7.5824 -7.2085 -7.2085 5.5758 5.5758 6.4135 6.4135 6.5240 6.5240 6.9920 6.9920 7.0022 7.0022 7.0111 7.0111 7.1291 7.1291 7.9860 7.9860 8.0294 8.0294 8.2465 8.2465 8.3412 8.3412 8.9428 8.9428 8.9447 8.9447 9.0856 9.0856 11.1388 11.1388 12.3710 12.3710 12.4551 12.4551 12.5764 12.5764 k = 0.0000 0.2500-0.0000 ( 2373 PWs) bands (ev): -45.4597 -45.4597 -23.0597 -23.0597 -21.0086 -21.0086 -20.9472 -20.9472 -7.9778 -7.9778 -7.5812 -7.5812 -7.1677 -7.1677 5.4689 5.4689 6.3994 6.3994 6.5090 6.5090 6.9226 6.9226 6.9486 6.9486 6.9698 6.9698 7.0835 7.0835 7.9929 7.9929 8.0328 8.0328 8.2396 8.2396 8.3323 8.3323 8.9783 8.9783 8.9823 8.9823 9.1250 9.1250 11.1325 11.1325 12.4633 12.4633 12.5468 12.5468 12.6804 12.6804 k = 0.0000 0.2625-0.0000 ( 2352 PWs) bands (ev): -45.4593 -45.4593 -23.0612 -23.0612 -21.0131 -21.0131 -20.9469 -20.9469 -7.9703 -7.9703 -7.5801 -7.5801 -7.1258 -7.1258 5.3600 5.3600 6.3858 6.3858 6.4944 6.4944 6.8524 6.8524 6.9018 6.9018 6.9292 6.9292 7.0404 7.0404 7.9999 7.9999 8.0366 8.0366 8.2341 8.2341 8.3242 8.3242 9.0129 9.0129 9.0192 9.0192 9.1633 9.1633 11.1261 11.1261 12.5550 12.5550 12.6379 12.6379 12.7866 12.7866 k = 0.0000 0.2750-0.0000 ( 2352 PWs) bands (ev): -45.4591 -45.4591 -23.0628 -23.0628 -21.0175 -21.0175 -20.9467 -20.9467 -7.9633 -7.9633 -7.5790 -7.5790 -7.0833 -7.0833 5.2502 5.2502 6.3729 6.3729 6.4801 6.4801 6.7868 6.7868 6.8563 6.8563 6.8890 6.8890 6.9995 6.9995 8.0063 8.0063 8.0403 8.0403 8.2298 8.2298 8.3166 8.3166 9.0460 9.0460 9.0547 9.0547 9.2001 9.2001 11.1198 11.1198 12.6452 12.6452 12.7277 12.7277 12.8949 12.8949 k = 0.0000 0.2875-0.0000 ( 2344 PWs) bands (ev): -45.4589 -45.4589 -23.0643 -23.0643 -21.0218 -21.0218 -20.9465 -20.9465 -7.9568 -7.9568 -7.5779 -7.5779 -7.0404 -7.0404 5.1404 5.1404 6.3606 6.3606 6.4664 6.4664 6.7259 6.7259 6.8122 6.8122 6.8497 6.8497 6.9610 6.9610 8.0123 8.0123 8.0442 8.0442 8.2268 8.2268 8.3096 8.3096 9.0777 9.0777 9.0891 9.0891 9.2355 9.2355 11.1134 11.1134 12.7338 12.7338 12.8159 12.8159 13.0049 13.0049 k = 0.0000 0.3000-0.0000 ( 2336 PWs) bands (ev): -45.4587 -45.4587 -23.0658 -23.0658 -21.0261 -21.0261 -20.9463 -20.9463 -7.9507 -7.9507 -7.5768 -7.5768 -6.9975 -6.9975 5.0317 5.0317 6.3492 6.3492 6.4533 6.4533 6.6693 6.6693 6.7696 6.7696 6.8113 6.8113 6.9250 6.9250 8.0176 8.0176 8.0481 8.0481 8.2250 8.2250 8.3032 8.3032 9.1080 9.1080 9.1222 9.1222 9.2695 9.2695 11.1072 11.1072 12.8203 12.8203 12.9020 12.9020 13.1164 13.1164 k = 0.0000 0.3125-0.0000 ( 2336 PWs) bands (ev): -45.4586 -45.4586 -23.0673 -23.0673 -21.0302 -21.0302 -20.9460 -20.9460 -7.9451 -7.9451 -7.5757 -7.5757 -6.9548 -6.9548 4.9249 4.9249 6.3386 6.3386 6.4409 6.4409 6.6170 6.6170 6.7285 6.7285 6.7740 6.7740 6.8912 6.8912 8.0222 8.0222 8.0519 8.0519 8.2244 8.2244 8.2974 8.2974 9.1366 9.1366 9.1538 9.1538 9.3018 9.3018 11.1011 11.1011 12.9042 12.9042 12.9855 12.9855 13.2294 13.2294 k = 0.0000 0.3250-0.0000 ( 2340 PWs) bands (ev): -45.4586 -45.4586 -23.0687 -23.0687 -21.0342 -21.0342 -20.9458 -20.9458 -7.9399 -7.9399 -7.5747 -7.5747 -6.9127 -6.9127 4.8209 4.8209 6.3290 6.3290 6.4292 6.4292 6.5688 6.5688 6.6891 6.6891 6.7379 6.7379 6.8598 6.8598 8.0260 8.0260 8.0556 8.0556 8.2247 8.2247 8.2920 8.2920 9.1637 9.1637 9.1839 9.1839 9.3325 9.3325 11.0951 11.0951 12.9850 12.9850 13.0660 13.0660 13.3434 13.3434 k = 0.0000 0.3375-0.0000 ( 2344 PWs) bands (ev): -45.4585 -45.4585 -23.0701 -23.0701 -21.0380 -21.0380 -20.9456 -20.9456 -7.9351 -7.9351 -7.5737 -7.5737 -6.8716 -6.8716 4.7205 4.7205 6.3203 6.3203 6.4184 6.4184 6.5244 6.5244 6.6514 6.6514 6.7034 6.7034 6.8307 6.8307 8.0293 8.0293 8.0592 8.0592 8.2261 8.2261 8.2872 8.2872 9.1891 9.1891 9.2124 9.2124 9.3614 9.3614 11.0894 11.0894 13.0625 13.0625 13.1432 13.1432 13.4583 13.4583 k = 0.0000 0.3500-0.0000 ( 2352 PWs) bands (ev): -45.4585 -45.4585 -23.0714 -23.0714 -21.0416 -21.0416 -20.9455 -20.9455 -7.9307 -7.9307 -7.5728 -7.5728 -6.8318 -6.8318 4.6245 4.6245 6.3126 6.3126 6.4084 6.4084 6.4837 6.4837 6.6155 6.6155 6.6705 6.6705 6.8038 6.8038 8.0318 8.0318 8.0625 8.0625 8.2282 8.2282 8.2829 8.2829 9.2128 9.2128 9.2391 9.2391 9.3886 9.3886 11.0838 11.0838 13.1361 13.1361 13.2165 13.2165 13.5738 13.5738 k = 0.0000 0.3625-0.0000 ( 2352 PWs) bands (ev): -45.4585 -45.4585 -23.0727 -23.0727 -21.0450 -21.0450 -20.9453 -20.9453 -7.9267 -7.9267 -7.5719 -7.5719 -6.7936 -6.7936 4.5336 4.5336 6.3061 6.3061 6.3995 6.3995 6.4467 6.4467 6.5815 6.5815 6.6395 6.6395 6.7790 6.7790 8.0338 8.0338 8.0658 8.0658 8.2309 8.2309 8.2791 8.2791 9.2347 9.2347 9.2641 9.2641 9.4139 9.4139 11.0786 11.0786 13.2055 13.2055 13.2857 13.2857 13.6896 13.6896 k = 0.0000 0.3750-0.0000 ( 2348 PWs) bands (ev): -45.4583 -45.4583 -23.0738 -23.0738 -21.0482 -21.0482 -20.9451 -20.9451 -7.9230 -7.9230 -7.5710 -7.5710 -6.7574 -6.7574 4.4484 4.4484 6.3007 6.3007 6.3915 6.3915 6.4133 6.4133 6.5494 6.5494 6.6104 6.6104 6.7565 6.7565 8.0353 8.0353 8.0689 8.0689 8.2341 8.2341 8.2757 8.2757 9.2549 9.2549 9.2873 9.2873 9.4373 9.4373 11.0737 11.0737 13.2703 13.2703 13.3503 13.3503 13.8051 13.8051 k = 0.0000 0.3875-0.0000 ( 2356 PWs) bands (ev): -45.4584 -45.4584 -23.0749 -23.0749 -21.0511 -21.0511 -20.9449 -20.9449 -7.9197 -7.9197 -7.5703 -7.5703 -6.7235 -6.7235 4.3694 4.3694 6.2964 6.2964 6.3834 6.3834 6.3847 6.3847 6.5192 6.5192 6.5833 6.5833 6.7361 6.7361 8.0363 8.0363 8.0717 8.0717 8.2374 8.2374 8.2726 8.2726 9.2733 9.2733 9.3085 9.3085 9.4586 9.4586 11.0691 11.0691 13.3301 13.3301 13.4099 13.4099 13.9199 13.9199 k = 0.0000 0.4000-0.0000 ( 2356 PWs) bands (ev): -45.4583 -45.4583 -23.0759 -23.0759 -21.0538 -21.0538 -20.9448 -20.9448 -7.9168 -7.9168 -7.5696 -7.5696 -6.6923 -6.6923 4.2974 4.2974 6.2931 6.2931 6.3572 6.3572 6.3789 6.3789 6.4910 6.4910 6.5584 6.5584 6.7179 6.7179 8.0371 8.0371 8.0743 8.0743 8.2409 8.2409 8.2700 8.2700 9.2898 9.2898 9.3276 9.3276 9.4779 9.4779 11.0649 11.0649 13.3846 13.3846 13.4643 13.4643 14.0331 14.0331 k = 0.0000 0.4125-0.0000 ( 2356 PWs) bands (ev): -45.4583 -45.4583 -23.0768 -23.0768 -21.0561 -21.0561 -20.9447 -20.9447 -7.9143 -7.9143 -7.5689 -7.5689 -6.6639 -6.6639 4.2326 4.2326 6.2905 6.2905 6.3351 6.3351 6.3743 6.3743 6.4648 6.4648 6.5357 6.5357 6.7018 6.7018 8.0376 8.0376 8.0767 8.0767 8.2443 8.2443 8.2678 8.2678 9.3044 9.3044 9.3447 9.3447 9.4951 9.4951 11.0612 11.0612 13.4336 13.4336 13.5131 13.5131 14.1440 14.1440 k = 0.0000 0.4250-0.0000 ( 2356 PWs) bands (ev): -45.4582 -45.4582 -23.0776 -23.0776 -21.0582 -21.0582 -20.9446 -20.9446 -7.9121 -7.9121 -7.5684 -7.5684 -6.6387 -6.6387 4.1756 4.1756 6.2872 6.2872 6.3182 6.3182 6.3707 6.3707 6.4407 6.4407 6.5154 6.5154 6.6878 6.6878 8.0379 8.0379 8.0787 8.0787 8.2477 8.2477 8.2658 8.2658 9.3171 9.3171 9.3596 9.3596 9.5101 9.5101 11.0579 11.0579 13.4766 13.4766 13.5559 13.5559 14.2510 14.2510 k = 0.0000 0.4375-0.0000 ( 2368 PWs) bands (ev): -45.4583 -45.4583 -23.0783 -23.0783 -21.0600 -21.0600 -20.9445 -20.9445 -7.9102 -7.9102 -7.5679 -7.5679 -6.6170 -6.6170 4.1267 4.1267 6.2809 6.2809 6.3091 6.3091 6.3682 6.3682 6.4185 6.4185 6.4975 6.4975 6.6759 6.6759 8.0380 8.0380 8.0804 8.0804 8.2506 8.2506 8.2642 8.2642 9.3278 9.3278 9.3722 9.3722 9.5228 9.5228 11.0550 11.0550 13.5134 13.5134 13.5926 13.5926 14.3522 14.3522 k = 0.0000 0.4500-0.0000 ( 2368 PWs) bands (ev): -45.4583 -45.4583 -23.0788 -23.0788 -21.0615 -21.0615 -20.9444 -20.9444 -7.9087 -7.9087 -7.5675 -7.5675 -6.5989 -6.5989 4.0863 4.0863 6.2716 6.2716 6.3077 6.3077 6.3666 6.3666 6.3985 6.3985 6.4824 6.4824 6.6662 6.6662 8.0381 8.0381 8.0819 8.0819 8.2531 8.2531 8.2630 8.2630 9.3367 9.3367 9.3827 9.3827 9.5333 9.5333 11.0527 11.0527 13.5438 13.5438 13.6230 13.6230 14.4451 14.4451 k = 0.0000 0.4625-0.0000 ( 2368 PWs) bands (ev): -45.4582 -45.4582 -23.0792 -23.0792 -21.0627 -21.0627 -20.9443 -20.9443 -7.9075 -7.9075 -7.5672 -7.5672 -6.5846 -6.5846 4.0545 4.0545 6.2626 6.2626 6.3108 6.3108 6.3659 6.3659 6.3805 6.3805 6.4701 6.4701 6.6587 6.6587 8.0382 8.0382 8.0830 8.0830 8.2551 8.2551 8.2620 8.2620 9.3436 9.3436 9.3909 9.3909 9.5415 9.5415 11.0508 11.0508 13.5677 13.5677 13.6468 13.6468 14.5259 14.5259 k = 0.0000 0.4750-0.0000 ( 2368 PWs) bands (ev): -45.4582 -45.4582 -23.0796 -23.0796 -21.0635 -21.0635 -20.9443 -20.9443 -7.9067 -7.9067 -7.5670 -7.5670 -6.5743 -6.5743 4.0317 4.0317 6.2556 6.2556 6.3164 6.3164 6.3648 6.3648 6.3656 6.3656 6.4610 6.4610 6.6533 6.6533 8.0382 8.0382 8.0839 8.0839 8.2567 8.2567 8.2613 8.2613 9.3485 9.3485 9.3968 9.3968 9.5474 9.5474 11.0495 11.0495 13.5849 13.5849 13.6640 13.6640 14.5898 14.5898 k = 0.0000 0.4875-0.0000 ( 2360 PWs) bands (ev): -45.4581 -45.4581 -23.0797 -23.0797 -21.0640 -21.0640 -20.9443 -20.9443 -7.9061 -7.9061 -7.5668 -7.5668 -6.5681 -6.5681 4.0179 4.0179 6.2513 6.2513 6.3234 6.3234 6.3519 6.3519 6.3656 6.3656 6.4554 6.4554 6.6501 6.6501 8.0382 8.0382 8.0844 8.0844 8.2576 8.2576 8.2609 8.2609 9.3515 9.3515 9.4004 9.4004 9.5510 9.5510 11.0487 11.0487 13.5953 13.5953 13.6743 13.6743 14.6313 14.6313 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4581 -45.4581 -23.0798 -23.0798 -21.0641 -21.0641 -20.9442 -20.9442 -7.9060 -7.9060 -7.5668 -7.5668 -6.5660 -6.5660 4.0133 4.0133 6.2499 6.2499 6.3280 6.3280 6.3452 6.3452 6.3657 6.3657 6.4535 6.4535 6.6490 6.6490 8.0382 8.0382 8.0845 8.0845 8.2579 8.2579 8.2608 8.2608 9.3525 9.3525 9.4016 9.4016 9.5522 9.5522 11.0484 11.0484 13.5988 13.5988 13.6778 13.6778 14.6458 14.6458 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4581 -45.4581 -23.0798 -23.0798 -21.0641 -21.0641 -20.9442 -20.9442 -7.9060 -7.9060 -7.5668 -7.5668 -6.5660 -6.5660 4.0133 4.0133 6.2499 6.2499 6.3280 6.3280 6.3452 6.3452 6.3657 6.3657 6.4535 6.4535 6.6490 6.6490 8.0382 8.0382 8.0845 8.0845 8.2579 8.2579 8.2608 8.2608 9.3525 9.3525 9.4016 9.4016 9.5522 9.5522 11.0484 11.0484 13.5988 13.5988 13.6778 13.6778 14.6458 14.6458 k = 0.0125 0.5000-0.0000 ( 2364 PWs) bands (ev): -45.4581 -45.4581 -23.0799 -23.0799 -21.0642 -21.0642 -20.9444 -20.9444 -7.9050 -7.9050 -7.5661 -7.5661 -6.5659 -6.5659 4.0133 4.0133 6.2059 6.2059 6.3366 6.3366 6.3450 6.3450 6.3855 6.3855 6.4559 6.4559 6.6605 6.6605 8.0356 8.0356 8.0857 8.0857 8.2560 8.2560 8.2584 8.2584 9.3518 9.3518 9.3996 9.3996 9.5504 9.5504 11.0541 11.0541 13.5991 13.5991 13.6781 13.6781 14.6467 14.6467 k = 0.0250 0.5000-0.0000 ( 2368 PWs) bands (ev): -45.4582 -45.4582 -23.0800 -23.0800 -21.0643 -21.0643 -20.9448 -20.9448 -7.9022 -7.9022 -7.5639 -7.5639 -6.5657 -6.5657 4.0132 4.0132 6.1280 6.1280 6.3370 6.3370 6.3418 6.3418 6.4158 6.4158 6.4653 6.4653 6.6958 6.6958 8.0276 8.0276 8.0892 8.0892 8.2457 8.2457 8.2566 8.2566 9.3497 9.3497 9.3936 9.3936 9.5453 9.5453 11.0709 11.0709 13.6001 13.6001 13.6791 13.6791 14.6493 14.6493 k = 0.0375 0.5000-0.0000 ( 2368 PWs) bands (ev): -45.4582 -45.4582 -23.0803 -23.0803 -21.0645 -21.0645 -20.9455 -20.9455 -7.8977 -7.8977 -7.5602 -7.5602 -6.5653 -6.5653 4.0130 4.0130 6.0422 6.0422 6.3334 6.3334 6.3357 6.3357 6.4289 6.4289 6.4812 6.4812 6.7529 6.7529 8.0125 8.0125 8.0947 8.0947 8.2304 8.2304 8.2544 8.2544 9.3464 9.3464 9.3839 9.3839 9.5371 9.5371 11.0985 11.0985 13.6018 13.6018 13.6809 13.6809 14.6536 14.6536 k = 0.0500 0.5000-0.0000 ( 2372 PWs) bands (ev): -45.4582 -45.4582 -23.0807 -23.0807 -21.0648 -21.0648 -20.9464 -20.9464 -7.8915 -7.8915 -7.5549 -7.5549 -6.5648 -6.5648 4.0128 4.0128 5.9535 5.9535 6.3263 6.3263 6.3288 6.3288 6.4316 6.4316 6.4957 6.4957 6.8250 6.8250 7.9883 7.9883 8.1010 8.1010 8.2140 8.2140 8.2516 8.2516 9.3416 9.3416 9.3709 9.3709 9.5261 9.5261 11.1361 11.1361 13.6040 13.6040 13.6834 13.6834 14.6597 14.6597 k = 0.0625 0.5000-0.0000 ( 2364 PWs) bands (ev): -45.4580 -45.4580 -23.0811 -23.0811 -21.0652 -21.0652 -20.9475 -20.9475 -7.8838 -7.8838 -7.5479 -7.5479 -6.5641 -6.5641 4.0124 4.0124 5.8635 5.8635 6.3155 6.3155 6.3213 6.3213 6.4297 6.4297 6.5078 6.5078 6.9051 6.9051 7.9529 7.9529 8.1064 8.1064 8.2015 8.2015 8.2486 8.2486 9.3353 9.3353 9.3552 9.3552 9.5128 9.5128 11.1831 11.1831 13.6068 13.6068 13.6869 13.6869 14.6674 14.6674 k = 0.0750 0.5000-0.0000 ( 2356 PWs) bands (ev): -45.4579 -45.4579 -23.0817 -23.0817 -21.0657 -21.0657 -20.9489 -20.9489 -7.8749 -7.8749 -7.5389 -7.5389 -6.5632 -6.5632 4.0120 4.0120 5.7735 5.7735 6.3027 6.3027 6.3120 6.3120 6.4243 6.4243 6.5190 6.5190 6.9889 6.9889 7.9055 7.9055 8.1079 8.1079 8.1977 8.1977 8.2456 8.2456 9.3264 9.3264 9.3382 9.3382 9.4978 9.4978 11.2385 11.2385 13.6100 13.6100 13.6914 13.6914 14.6768 14.6768 k = 0.0875 0.5000-0.0000 ( 2352 PWs) bands (ev): -45.4578 -45.4578 -23.0824 -23.0824 -21.0662 -21.0662 -20.9505 -20.9505 -7.8651 -7.8651 -7.5278 -7.5278 -6.5623 -6.5623 4.0115 4.0115 5.6838 5.6838 6.2882 6.2882 6.3005 6.3005 6.4155 6.4155 6.5306 6.5306 7.0737 7.0737 7.8471 7.8471 8.1038 8.1038 8.2042 8.2042 8.2429 8.2429 9.3105 9.3105 9.3248 9.3248 9.4816 9.4816 11.3014 11.3014 13.6135 13.6135 13.6972 13.6972 14.6877 14.6877 k = 0.1000 0.5000-0.0000 ( 2356 PWs) bands (ev): -45.4578 -45.4578 -23.0831 -23.0831 -21.0669 -21.0669 -20.9523 -20.9523 -7.8546 -7.8546 -7.5144 -7.5144 -6.5611 -6.5611 4.0109 4.0109 5.5949 5.5949 6.2721 6.2721 6.2863 6.2863 6.4031 6.4031 6.5433 6.5433 7.1580 7.1580 7.7801 7.7801 8.0957 8.0957 8.2185 8.2185 8.2414 8.2414 9.2882 9.2882 9.3146 9.3146 9.4646 9.4646 11.3708 11.3708 13.6171 13.6171 13.7043 13.7043 14.7001 14.7001 k = 0.1125 0.5000-0.0000 ( 2348 PWs) bands (ev): -45.4576 -45.4576 -23.0840 -23.0840 -21.0677 -21.0677 -20.9543 -20.9543 -7.8437 -7.8437 -7.4985 -7.4985 -6.5599 -6.5599 4.0103 4.0103 5.5072 5.5072 6.2547 6.2547 6.2692 6.2692 6.3870 6.3870 6.5574 6.5574 7.2404 7.2404 7.7075 7.7075 8.0853 8.0853 8.2327 8.2327 8.2465 8.2465 9.2632 9.2632 9.3046 9.3046 9.4474 9.4474 11.4461 11.4461 13.6208 13.6208 13.7131 13.7131 14.7140 14.7140 k = 0.1250 0.5000-0.0000 ( 2346 PWs) bands (ev): -45.4575 -45.4575 -23.0849 -23.0849 -21.0686 -21.0686 -20.9564 -20.9564 -7.8329 -7.8329 -7.4798 -7.4798 -6.5585 -6.5585 4.0095 4.0095 5.4208 5.4208 6.2361 6.2361 6.2483 6.2483 6.3673 6.3673 6.5730 6.5730 7.3196 7.3196 7.6326 7.6326 8.0734 8.0734 8.2355 8.2355 8.2678 8.2678 9.2361 9.2361 9.2943 9.2943 9.4306 9.4306 11.5264 11.5264 13.6245 13.6245 13.7236 13.7236 14.7293 14.7293 k = 0.1375 0.5000-0.0000 ( 2348 PWs) bands (ev): -45.4574 -45.4574 -23.0859 -23.0859 -21.0696 -21.0696 -20.9586 -20.9586 -7.8223 -7.8223 -7.4583 -7.4583 -6.5570 -6.5570 4.0086 4.0086 5.3360 5.3360 6.2158 6.2158 6.2229 6.2229 6.3443 6.3443 6.5900 6.5900 7.3926 7.3926 7.5603 7.5603 8.0607 8.0607 8.2366 8.2366 8.2949 8.2949 9.2071 9.2071 9.2837 9.2837 9.4145 9.4145 11.6109 11.6109 13.6279 13.6279 13.7360 13.7360 14.7459 14.7459 k = 0.1500 0.5000-0.0000 ( 2348 PWs) bands (ev): -45.4574 -45.4574 -23.0870 -23.0870 -21.0708 -21.0708 -20.9609 -20.9609 -7.8122 -7.8122 -7.4339 -7.4339 -6.5554 -6.5554 4.0075 4.0075 5.2530 5.2530 6.1870 6.1870 6.1984 6.1984 6.3187 6.3187 6.6085 6.6085 7.4374 7.4374 7.5149 7.5149 8.0473 8.0473 8.2385 8.2385 8.3247 8.3247 9.1765 9.1765 9.2731 9.2731 9.3994 9.3994 11.6990 11.6990 13.6312 13.6312 13.7504 13.7504 14.7636 14.7636 k = 0.1625 0.5000-0.0000 ( 2354 PWs) bands (ev): -45.4574 -45.4574 -23.0882 -23.0882 -21.0721 -21.0721 -20.9633 -20.9633 -7.8027 -7.8027 -7.4065 -7.4065 -6.5537 -6.5537 4.0063 4.0063 5.1718 5.1718 6.1452 6.1452 6.1772 6.1772 6.2918 6.2918 6.6284 6.6284 7.3963 7.3963 7.5553 7.5553 8.0334 8.0334 8.2417 8.2417 8.3564 8.3564 9.1443 9.1443 9.2625 9.2625 9.3858 9.3858 11.7901 11.7901 13.6342 13.6342 13.7669 13.7669 14.7825 14.7825 k = 0.1750 0.5000-0.0000 ( 2354 PWs) bands (ev): -45.4573 -45.4573 -23.0894 -23.0894 -21.0735 -21.0735 -20.9657 -20.9657 -7.7939 -7.7939 -7.3762 -7.3762 -6.5519 -6.5519 4.0050 4.0050 5.0927 5.0927 6.0922 6.0922 6.1560 6.1560 6.2648 6.2648 6.6497 6.6497 7.3377 7.3377 7.6149 7.6149 8.0192 8.0192 8.2463 8.2463 8.3898 8.3898 9.1107 9.1107 9.2522 9.2522 9.3740 9.3740 11.8836 11.8836 13.6371 13.6371 13.7856 13.7856 14.8023 14.8023 k = 0.1875 0.5000-0.0000 ( 2354 PWs) bands (ev): -45.4572 -45.4572 -23.0907 -23.0907 -21.0750 -21.0750 -20.9681 -20.9681 -7.7860 -7.7860 -7.3433 -7.3433 -6.5500 -6.5500 4.0035 4.0035 5.0157 5.0157 6.0274 6.0274 6.1347 6.1347 6.2382 6.2382 6.6722 6.6722 7.2841 7.2841 7.6718 7.6718 8.0050 8.0050 8.2522 8.2522 8.4242 8.4242 9.0759 9.0759 9.2422 9.2422 9.3642 9.3642 11.9790 11.9790 13.6397 13.6397 13.8064 13.8064 14.8230 14.8230 k = 0.2000 0.5000-0.0000 ( 2346 PWs) bands (ev): -45.4569 -45.4569 -23.0920 -23.0920 -21.0767 -21.0767 -20.9705 -20.9705 -7.7788 -7.7788 -7.3078 -7.3078 -6.5480 -6.5480 4.0017 4.0017 4.9410 4.9410 5.9513 5.9513 6.1133 6.1133 6.2123 6.2123 6.6960 6.6960 7.2385 7.2385 7.7234 7.7234 7.9908 7.9908 8.2596 8.2596 8.4596 8.4596 9.0404 9.0404 9.2325 9.2325 9.3568 9.3568 12.0757 12.0757 13.6422 13.6422 13.8294 13.8294 14.8446 14.8446 k = 0.2125 0.5000-0.0000 ( 2354 PWs) bands (ev): -45.4570 -45.4570 -23.0933 -23.0933 -21.0785 -21.0785 -20.9728 -20.9728 -7.7723 -7.7723 -7.2701 -7.2701 -6.5459 -6.5459 3.9997 3.9997 4.8687 4.8687 5.8652 5.8652 6.0919 6.0919 6.1869 6.1869 6.7208 6.7208 7.2012 7.2012 7.7689 7.7689 7.9769 7.9769 8.2679 8.2679 8.4951 8.4951 9.0043 9.0043 9.2231 9.2231 9.3519 9.3519 12.1734 12.1734 13.6446 13.6446 13.8546 13.8546 14.8667 14.8667 k = 0.2250 0.5000-0.0000 ( 2358 PWs) bands (ev): -45.4569 -45.4569 -23.0947 -23.0947 -21.0805 -21.0805 -20.9751 -20.9751 -7.7665 -7.7665 -7.2305 -7.2305 -6.5437 -6.5437 3.9974 3.9974 4.7988 4.7988 5.7708 5.7708 6.0707 6.0707 6.1618 6.1618 6.7467 6.7467 7.1720 7.1720 7.8081 7.8081 7.9633 7.9633 8.2772 8.2772 8.5302 8.5302 8.9683 8.9683 9.2137 9.2137 9.3501 9.3501 12.2713 12.2713 13.6468 13.6468 13.8819 13.8819 14.8895 14.8895 k = 0.2375 0.5000-0.0000 ( 2356 PWs) bands (ev): -45.4568 -45.4568 -23.0961 -23.0961 -21.0826 -21.0826 -20.9773 -20.9773 -7.7614 -7.7614 -7.1892 -7.1892 -6.5415 -6.5415 3.9948 3.9948 4.7314 4.7314 5.6698 5.6698 6.0497 6.0497 6.1370 6.1370 6.7735 6.7735 7.1500 7.1500 7.8412 7.8412 7.9502 7.9502 8.2870 8.2870 8.5642 8.5642 8.9330 8.9330 9.2045 9.2045 9.3514 9.3514 12.3693 12.3693 13.6489 13.6489 13.9114 13.9114 14.9126 14.9126 k = 0.2500 0.5000-0.0000 ( 2356 PWs) bands (ev): -45.4567 -45.4567 -23.0976 -23.0976 -21.0848 -21.0848 -20.9794 -20.9794 -7.7568 -7.7568 -7.1466 -7.1466 -6.5392 -6.5392 3.9918 3.9918 4.6667 4.6667 5.5644 5.5644 6.0292 6.0292 6.1126 6.1126 6.8012 6.8012 7.1345 7.1345 7.8684 7.8684 7.9376 7.9376 8.2966 8.2966 8.5958 8.5958 8.8997 8.8997 9.1954 9.1954 9.3559 9.3559 12.4667 12.4667 13.6509 13.6509 13.9429 13.9429 14.9361 14.9361 k = 0.2625 0.5000-0.0000 ( 2356 PWs) bands (ev): -45.4566 -45.4566 -23.0990 -23.0990 -21.0871 -21.0871 -20.9813 -20.9813 -7.7527 -7.7527 -7.1031 -7.1031 -6.5368 -6.5368 3.9883 3.9883 4.6047 4.6047 5.4561 5.4561 6.0090 6.0090 6.0884 6.0884 6.8295 6.8295 7.1244 7.1244 7.8904 7.8904 7.9257 7.9257 8.3057 8.3057 8.6231 8.6231 8.8700 8.8700 9.1864 9.1864 9.3636 9.3636 12.5632 12.5632 13.6529 13.6529 13.9763 13.9763 14.9597 14.9597 k = 0.2750 0.5000-0.0000 ( 2352 PWs) bands (ev): -45.4564 -45.4564 -23.1004 -23.1004 -21.0894 -21.0894 -20.9832 -20.9832 -7.7491 -7.7491 -7.0590 -7.0590 -6.5344 -6.5344 3.9843 3.9843 4.5455 4.5455 5.3467 5.3467 5.9895 5.9895 6.0646 6.0646 6.8585 6.8585 7.1190 7.1190 7.9076 7.9076 7.9145 7.9145 8.3135 8.3135 8.6428 8.6428 8.8472 8.8472 9.1776 9.1776 9.3742 9.3742 12.6584 12.6584 13.6548 13.6548 14.0115 14.0115 14.9833 14.9833 k = 0.2875 0.5000-0.0000 ( 2352 PWs) bands (ev): -45.4563 -45.4563 -23.1018 -23.1018 -21.0919 -21.0919 -20.9849 -20.9849 -7.7458 -7.7458 -7.0146 -7.0146 -6.5319 -6.5319 3.9796 3.9796 4.4891 4.4891 5.2378 5.2378 5.9705 5.9705 6.0413 6.0413 6.8879 6.8879 7.1175 7.1175 7.9038 7.9038 7.9208 7.9208 8.3197 8.3197 8.6504 8.6504 8.8356 8.8356 9.1691 9.1691 9.3876 9.3876 12.7517 12.7517 13.6566 13.6566 14.0483 14.0483 15.0069 15.0069 k = 0.3000 0.5000-0.0000 ( 2348 PWs) bands (ev): -45.4561 -45.4561 -23.1032 -23.1032 -21.0943 -21.0943 -20.9864 -20.9864 -7.7429 -7.7429 -6.9704 -6.9704 -6.5293 -6.5293 3.9742 3.9742 4.4357 4.4357 5.1306 5.1306 5.9522 5.9522 6.0187 6.0187 6.9176 6.9176 7.1192 7.1192 7.8940 7.8940 7.9305 7.9305 8.3240 8.3240 8.6436 8.6436 8.8376 8.8376 9.1611 9.1611 9.4032 9.4032 12.8427 12.8427 13.6584 13.6584 14.0865 14.0865 15.0301 15.0301 k = 0.3125 0.5000-0.0000 ( 2344 PWs) bands (ev): -45.4560 -45.4560 -23.1046 -23.1046 -21.0968 -21.0968 -20.9879 -20.9879 -7.7403 -7.7403 -6.9267 -6.9267 -6.5266 -6.5266 3.9678 3.9678 4.3852 4.3852 5.0264 5.0264 5.9346 5.9346 5.9968 5.9968 6.9475 6.9475 7.1235 7.1235 7.8849 7.8849 7.9371 7.9371 8.3261 8.3261 8.6254 8.6254 8.8504 8.8504 9.1536 9.1536 9.4207 9.4207 12.9311 12.9311 13.6602 13.6602 14.1258 14.1258 15.0531 15.0531 k = 0.3250 0.5000-0.0000 ( 2348 PWs) bands (ev): -45.4559 -45.4559 -23.1059 -23.1059 -21.0993 -21.0993 -20.9892 -20.9892 -7.7380 -7.7380 -6.8839 -6.8839 -6.5237 -6.5237 3.9602 3.9602 4.3377 4.3377 4.9263 4.9263 5.9178 5.9178 5.9758 5.9758 6.9774 6.9774 7.1300 7.1300 7.8766 7.8766 7.9411 7.9411 8.3260 8.3260 8.6006 8.6006 8.8689 8.8689 9.1468 9.1468 9.4395 9.4395 13.0163 13.0163 13.6618 13.6618 14.1660 14.1660 15.0754 15.0754 k = 0.3375 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4560 -45.4560 -23.1072 -23.1072 -21.1017 -21.1017 -20.9904 -20.9904 -7.7359 -7.7359 -6.8424 -6.8424 -6.5207 -6.5207 3.9513 3.9513 4.2933 4.2933 4.8315 4.8315 5.9018 5.9018 5.9557 5.9557 7.0071 7.0071 7.1383 7.1383 7.8689 7.8689 7.9428 7.9428 8.3237 8.3237 8.5729 8.5729 8.8895 8.8895 9.1407 9.1407 9.4590 9.4590 13.0979 13.0979 13.6635 13.6635 14.2066 14.2066 15.0971 15.0971 k = 0.3500 0.5000-0.0000 ( 2356 PWs) bands (ev): -45.4559 -45.4559 -23.1084 -23.1084 -21.1041 -21.1041 -20.9914 -20.9914 -7.7340 -7.7340 -6.8027 -6.8027 -6.5174 -6.5174 3.9409 3.9409 4.2520 4.2520 4.7429 4.7429 5.8868 5.8868 5.9369 5.9369 7.0364 7.0364 7.1479 7.1479 7.8619 7.8619 7.9426 7.9426 8.3195 8.3195 8.5447 8.5447 8.9104 8.9104 9.1356 9.1356 9.4790 9.4790 13.1755 13.1755 13.6652 13.6652 14.2474 14.2474 15.1180 15.1180 k = 0.3625 0.5000-0.0000 ( 2356 PWs) bands (ev): -45.4558 -45.4558 -23.1095 -23.1095 -21.1064 -21.1064 -20.9924 -20.9924 -7.7324 -7.7324 -6.7651 -6.7651 -6.5138 -6.5138 3.9288 3.9288 4.2139 4.2139 4.6614 4.6614 5.8725 5.8725 5.9192 5.9192 7.0650 7.0650 7.1586 7.1586 7.8557 7.8557 7.9408 7.9408 8.3136 8.3136 8.5171 8.5171 8.9303 8.9303 9.1317 9.1317 9.4988 9.4988 13.2486 13.2486 13.6668 13.6668 14.2878 14.2878 15.1379 15.1379 k = 0.3750 0.5000-0.0000 ( 2352 PWs) bands (ev): -45.4556 -45.4556 -23.1106 -23.1106 -21.1086 -21.1086 -20.9932 -20.9932 -7.7309 -7.7309 -6.7302 -6.7302 -6.5098 -6.5098 3.9147 3.9147 4.1789 4.1789 4.5878 4.5878 5.8593 5.8593 5.9030 5.9030 7.0927 7.0927 7.1700 7.1700 7.8500 7.8500 7.9375 7.9375 8.3063 8.3063 8.4909 8.4909 8.9485 8.9485 9.1287 9.1287 9.5180 9.5180 13.3168 13.3168 13.6685 13.6685 14.3273 14.3273 15.1567 15.1567 k = 0.3875 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4557 -45.4557 -23.1116 -23.1116 -21.1106 -21.1106 -20.9939 -20.9939 -7.7296 -7.7296 -6.6983 -6.6983 -6.5052 -6.5052 3.8988 3.8988 4.1472 4.1472 4.5227 4.5227 5.8470 5.8470 5.8882 5.8882 7.1193 7.1193 7.1818 7.1818 7.8450 7.8450 7.9329 7.9329 8.2978 8.2978 8.4664 8.4664 8.9646 8.9646 9.1270 9.1270 9.5363 9.5363 13.3797 13.3797 13.6703 13.6703 14.3655 14.3655 15.1743 15.1743 k = 0.4000 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4556 -45.4556 -23.1125 -23.1125 -21.1125 -21.1125 -20.9946 -20.9946 -7.7285 -7.7285 -6.6700 -6.6700 -6.5000 -6.5000 3.8811 3.8811 4.1187 4.1187 4.4664 4.4664 5.8358 5.8358 5.8749 5.8749 7.1444 7.1444 7.1936 7.1936 7.8406 7.8406 7.9274 7.9274 8.2887 8.2887 8.4442 8.4442 8.9785 8.9785 9.1265 9.1265 9.5533 9.5533 13.4367 13.4367 13.6723 13.6723 14.4017 14.4017 15.1905 15.1905 k = 0.4125 0.5000-0.0000 ( 2356 PWs) bands (ev): -45.4555 -45.4555 -23.1133 -23.1133 -21.1142 -21.1142 -20.9951 -20.9951 -7.7275 -7.7275 -6.6456 -6.6456 -6.4940 -6.4940 3.8623 3.8623 4.0935 4.0935 4.4189 4.4189 5.8256 5.8256 5.8631 5.8631 7.1678 7.1678 7.2052 7.2052 7.8368 7.8368 7.9212 7.9212 8.2793 8.2793 8.4245 8.4245 8.9899 8.9899 9.1272 9.1272 9.5689 9.5689 13.4874 13.4874 13.6746 13.6746 14.4356 14.4356 15.2051 15.2051 k = 0.4250 0.5000-0.0000 ( 2364 PWs) bands (ev): -45.4555 -45.4555 -23.1141 -23.1141 -21.1158 -21.1158 -20.9956 -20.9956 -7.7266 -7.7266 -6.6253 -6.6253 -6.4873 -6.4873 3.8429 3.8429 4.0716 4.0716 4.3799 4.3799 5.8166 5.8166 5.8530 5.8530 7.1890 7.1890 7.2161 7.2161 7.8336 7.8336 7.9147 7.9147 8.2701 8.2701 8.4072 8.4072 8.9988 8.9988 9.1289 9.1289 9.5827 9.5827 13.5313 13.5313 13.6775 13.6775 14.4663 14.4663 15.2182 15.2182 k = 0.4375 0.5000-0.0000 ( 2364 PWs) bands (ev): -45.4555 -45.4555 -23.1147 -23.1147 -21.1171 -21.1171 -20.9960 -20.9960 -7.7259 -7.7259 -6.6093 -6.6093 -6.4800 -6.4800 3.8240 3.8240 4.0531 4.0531 4.3488 4.3488 5.8087 5.8087 5.8444 5.8444 7.2076 7.2076 7.2263 7.2263 7.8309 7.8309 7.9082 7.9082 8.2614 8.2614 8.3927 8.3927 9.0057 9.0057 9.1313 9.1313 9.5947 9.5947 13.5676 13.5676 13.6812 13.6812 14.4935 14.4935 15.2294 15.2294 k = 0.4500 0.5000-0.0000 ( 2362 PWs) bands (ev): -45.4554 -45.4554 -23.1152 -23.1152 -21.1182 -21.1182 -20.9963 -20.9963 -7.7254 -7.7254 -6.5971 -6.5971 -6.4728 -6.4728 3.8066 3.8066 4.0379 4.0379 4.3248 4.3248 5.8022 5.8022 5.8375 5.8375 7.2233 7.2233 7.2353 7.2353 7.8287 7.8287 7.9021 7.9021 8.2537 8.2537 8.3808 8.3808 9.0106 9.0106 9.1340 9.1340 9.6046 9.6046 13.5957 13.5957 13.6863 13.6863 14.5165 14.5165 15.2388 15.2388 k = 0.4625 0.5000-0.0000 ( 2362 PWs) bands (ev): -45.4554 -45.4554 -23.1156 -23.1156 -21.1190 -21.1190 -20.9965 -20.9965 -7.7249 -7.7249 -6.5884 -6.5884 -6.4663 -6.4663 3.7919 3.7919 4.0260 4.0260 4.3071 4.3071 5.7971 5.7971 5.8321 5.8321 7.2353 7.2353 7.2433 7.2433 7.8270 7.8270 7.8968 7.8968 8.2473 8.2473 8.3716 8.3716 9.0141 9.0141 9.1366 9.1366 9.6124 9.6124 13.6155 13.6155 13.6925 13.6925 14.5350 14.5350 15.2462 15.2462 k = 0.4750 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4554 -45.4554 -23.1159 -23.1159 -21.1197 -21.1197 -20.9967 -20.9967 -7.7246 -7.7246 -6.5826 -6.5826 -6.4610 -6.4610 3.7806 3.7806 4.0175 4.0175 4.2950 4.2950 5.7934 5.7934 5.8283 5.8283 7.2431 7.2431 7.2502 7.2502 7.8258 7.8258 7.8927 7.8927 8.2426 8.2426 8.3650 8.3650 9.0163 9.0163 9.1388 9.1388 9.6180 9.6180 13.6278 13.6278 13.6990 13.6990 14.5485 14.5485 15.2515 15.2515 k = 0.4875 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4553 -45.4553 -23.1160 -23.1160 -21.1200 -21.1200 -20.9968 -20.9968 -7.7244 -7.7244 -6.5794 -6.5794 -6.4577 -6.4577 3.7736 3.7736 4.0124 4.0124 4.2879 4.2879 5.7911 5.7911 5.8260 5.8260 7.2474 7.2474 7.2550 7.2550 7.8251 7.8251 7.8901 7.8901 8.2396 8.2396 8.3611 8.3611 9.0176 9.0176 9.1402 9.1402 9.6214 9.6214 13.6341 13.6341 13.7040 13.7040 14.5567 14.5567 15.2547 15.2547 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4553 -45.4553 -23.1161 -23.1161 -21.1202 -21.1202 -20.9968 -20.9968 -7.7244 -7.7244 -6.5783 -6.5783 -6.4565 -6.4565 3.7712 3.7712 4.0107 4.0107 4.2856 4.2856 5.7904 5.7904 5.8252 5.8252 7.2487 7.2487 7.2567 7.2567 7.8249 7.8249 7.8892 7.8892 8.2386 8.2386 8.3598 8.3598 9.0180 9.0180 9.1406 9.1406 9.6226 9.6226 13.6360 13.6360 13.7058 13.7058 14.5594 14.5594 15.2558 15.2558 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4553 -45.4553 -23.1161 -23.1161 -21.1202 -21.1202 -20.9968 -20.9968 -7.7244 -7.7244 -6.5783 -6.5783 -6.4565 -6.4565 3.7712 3.7712 4.0107 4.0107 4.2856 4.2856 5.7904 5.7904 5.8252 5.8252 7.2487 7.2487 7.2567 7.2567 7.8249 7.8249 7.8892 7.8892 8.2386 8.2386 8.3598 8.3598 9.0180 9.0180 9.1406 9.1406 9.6226 9.6226 13.6360 13.6360 13.7058 13.7058 14.5594 14.5594 15.2558 15.2558 k = 0.4912 0.4912-0.0000 ( 2360 PWs) bands (ev): -45.4553 -45.4553 -23.1160 -23.1160 -21.1200 -21.1200 -20.9968 -20.9968 -7.7244 -7.7244 -6.5793 -6.5793 -6.4577 -6.4577 3.7736 3.7736 4.0124 4.0124 4.2879 4.2879 5.7911 5.7911 5.8260 5.8260 7.2471 7.2471 7.2553 7.2553 7.8251 7.8251 7.8901 7.8901 8.2396 8.2396 8.3611 8.3611 9.0176 9.0176 9.1402 9.1402 9.6215 9.6215 13.6342 13.6342 13.7039 13.7039 14.5567 14.5567 15.2548 15.2548 k = 0.4825 0.4825-0.0000 ( 2360 PWs) bands (ev): -45.4554 -45.4554 -23.1159 -23.1159 -21.1197 -21.1197 -20.9967 -20.9967 -7.7246 -7.7246 -6.5824 -6.5824 -6.4611 -6.4611 3.7807 3.7807 4.0174 4.0174 4.2947 4.2947 5.7933 5.7933 5.8282 5.8282 7.2401 7.2401 7.2535 7.2535 7.8258 7.8258 7.8926 7.8926 8.2423 8.2423 8.3651 8.3651 9.0164 9.0164 9.1387 9.1387 9.6181 9.6181 13.6286 13.6286 13.6984 13.6984 14.5486 14.5486 15.2516 15.2516 k = 0.4737 0.4737-0.0000 ( 2366 PWs) bands (ev): -45.4555 -45.4555 -23.1156 -23.1156 -21.1191 -21.1191 -20.9965 -20.9965 -7.7249 -7.7249 -6.5876 -6.5876 -6.4668 -6.4668 3.7924 3.7924 4.0257 4.0257 4.3060 4.3060 5.7970 5.7970 5.8320 5.8320 7.2266 7.2266 7.2529 7.2529 7.8270 7.8270 7.8962 7.8962 8.2462 8.2462 8.3723 8.3723 9.0144 9.0144 9.1364 9.1364 9.6125 9.6125 13.6193 13.6193 13.6891 13.6891 14.5350 14.5350 15.2462 15.2462 k = 0.4649 0.4649-0.0000 ( 2362 PWs) bands (ev): -45.4554 -45.4554 -23.1152 -23.1152 -21.1182 -21.1182 -20.9963 -20.9963 -7.7253 -7.7253 -6.5948 -6.5948 -6.4748 -6.4748 3.8089 3.8089 4.0373 4.0373 4.3218 4.3218 5.8021 5.8021 5.8374 5.8374 7.2082 7.2082 7.2528 7.2528 7.8286 7.8286 7.9008 7.9008 8.2504 8.2504 8.3831 8.3831 9.0117 9.0117 9.1331 9.1331 9.6048 9.6048 13.6064 13.6064 13.6762 13.6762 14.5160 14.5160 15.2386 15.2386 k = 0.4561 0.4561-0.0000 ( 2358 PWs) bands (ev): -45.4554 -45.4554 -23.1147 -23.1147 -21.1171 -21.1171 -20.9960 -20.9960 -7.7259 -7.7259 -6.6041 -6.6041 -6.4850 -6.4850 3.8300 3.8300 4.0522 4.0522 4.3421 4.3421 5.8086 5.8086 5.8443 5.8443 7.1858 7.1858 7.2528 7.2528 7.8308 7.8308 7.9055 7.9055 8.2542 8.2542 8.3979 8.3979 9.0083 9.0083 9.1292 9.1292 9.5950 9.5950 13.5899 13.5899 13.6599 13.6599 14.4917 14.4917 15.2288 15.2288 k = 0.4474 0.4474-0.0000 ( 2346 PWs) bands (ev): -45.4553 -45.4553 -23.1140 -23.1140 -21.1157 -21.1157 -20.9956 -20.9956 -7.7266 -7.7266 -6.6153 -6.6153 -6.4972 -6.4972 3.8556 3.8556 4.0702 4.0702 4.3668 4.3668 5.8163 5.8163 5.8529 5.8529 7.1605 7.1605 7.2530 7.2530 7.8334 7.8334 7.9102 7.9102 8.2571 8.2571 8.4168 8.4168 9.0041 9.0041 9.1245 9.1245 9.5831 9.5831 13.5697 13.5697 13.6401 13.6401 14.4621 14.4621 15.2165 15.2165 k = 0.4386 0.4386-0.0000 ( 2352 PWs) bands (ev): -45.4554 -45.4554 -23.1133 -23.1133 -21.1142 -21.1142 -20.9952 -20.9952 -7.7274 -7.7274 -6.6285 -6.6285 -6.5115 -6.5115 3.8858 3.8858 4.0913 4.0913 4.3960 4.3960 5.8253 5.8253 5.8632 5.8632 7.1332 7.1332 7.2534 7.2534 7.8365 7.8365 7.9143 7.9143 8.2585 8.2585 8.4392 8.4392 8.9991 8.9991 9.1191 9.1191 9.5692 9.5692 13.5459 13.5459 13.6169 13.6169 14.4274 14.4274 15.2018 15.2018 k = 0.4298 0.4298-0.0000 ( 2358 PWs) bands (ev): -45.4556 -45.4556 -23.1125 -23.1125 -21.1124 -21.1124 -20.9948 -20.9948 -7.7284 -7.7284 -6.6436 -6.6436 -6.5278 -6.5278 3.9203 3.9203 4.1154 4.1154 4.4296 4.4296 5.8354 5.8354 5.8752 5.8752 7.1045 7.1045 7.2539 7.2539 7.8402 7.8402 7.9178 7.9178 8.2585 8.2585 8.4645 8.4645 8.9934 8.9934 9.1131 9.1131 9.5535 9.5535 13.5186 13.5186 13.5906 13.5906 14.3876 14.3876 15.1843 15.1843 k = 0.4211 0.4211-0.0000 ( 2348 PWs) bands (ev): -45.4555 -45.4555 -23.1115 -23.1115 -21.1103 -21.1103 -20.9942 -20.9942 -7.7296 -7.7296 -6.6606 -6.6606 -6.5459 -6.5459 3.9592 3.9592 4.1426 4.1426 4.4674 4.4674 5.8465 5.8465 5.8891 5.8891 7.0752 7.0752 7.2546 7.2546 7.8443 7.8443 7.9207 7.9207 8.2573 8.2573 8.4921 8.4921 8.9873 8.9873 9.1068 9.1068 9.5360 9.5360 13.4879 13.4879 13.5612 13.5612 14.3431 14.3431 15.1639 15.1639 k = 0.4123 0.4123-0.0000 ( 2348 PWs) bands (ev): -45.4556 -45.4556 -23.1105 -23.1105 -21.1080 -21.1080 -20.9936 -20.9936 -7.7309 -7.7309 -6.6794 -6.6794 -6.5656 -6.5656 4.0023 4.0023 4.1727 4.1727 4.5095 4.5095 5.8587 5.8587 5.9047 5.9047 7.0459 7.0459 7.2555 7.2555 7.8490 7.8490 7.9227 7.9227 8.2551 8.2551 8.5205 8.5205 8.9808 8.9808 9.1001 9.1001 9.5168 9.5168 13.4539 13.4539 13.5289 13.5289 14.2939 14.2939 15.1404 15.1404 k = 0.4035 0.4035-0.0000 ( 2352 PWs) bands (ev): -45.4557 -45.4557 -23.1093 -23.1093 -21.1056 -21.1056 -20.9930 -20.9930 -7.7323 -7.7323 -6.7000 -6.7000 -6.5870 -6.5870 4.0494 4.0494 4.2056 4.2056 4.5557 4.5557 5.8718 5.8718 5.9222 5.9222 7.0169 7.0169 7.2567 7.2567 7.8542 7.8542 7.9238 7.9238 8.2519 8.2519 8.5491 8.5491 8.9741 8.9741 9.0930 9.0930 9.4960 9.4960 13.4167 13.4167 13.4937 13.4937 14.2402 14.2402 15.1134 15.1134 k = 0.3947 0.3947-0.0000 ( 2352 PWs) bands (ev): -45.4558 -45.4558 -23.1081 -23.1081 -21.1029 -21.1029 -20.9923 -20.9923 -7.7340 -7.7340 -6.7223 -6.7223 -6.6099 -6.6099 4.1006 4.1006 4.2414 4.2414 4.6059 4.6059 5.8858 5.8858 5.9415 5.9415 6.9889 6.9889 7.2582 7.2582 7.8599 7.8599 7.9242 7.9242 8.2479 8.2479 8.5766 8.5766 8.9678 8.9678 9.0858 9.0858 9.4738 9.4738 13.3764 13.3764 13.4557 13.4557 14.1823 14.1823 15.0826 15.0826 k = 0.3860 0.3860-0.0000 ( 2352 PWs) bands (ev): -45.4559 -45.4559 -23.1068 -23.1068 -21.1000 -21.1000 -20.9915 -20.9915 -7.7359 -7.7359 -6.7462 -6.7462 -6.6340 -6.6340 4.1555 4.1555 4.2800 4.2800 4.6599 4.6599 5.9007 5.9007 5.9626 5.9626 6.9620 6.9620 7.2601 7.2601 7.8662 7.8662 7.9239 7.9239 8.2432 8.2432 8.6021 8.6021 8.9624 8.9624 9.0784 9.0784 9.4504 9.4504 13.3333 13.3333 13.4152 13.4152 14.1205 14.1205 15.0479 15.0479 k = 0.3772 0.3772-0.0000 ( 2356 PWs) bands (ev): -45.4561 -45.4561 -23.1054 -23.1054 -21.0969 -21.0969 -20.9907 -20.9907 -7.7380 -7.7380 -6.7716 -6.7716 -6.6594 -6.6594 4.2141 4.2141 4.3213 4.3213 4.7177 4.7177 5.9165 5.9165 5.9855 5.9855 6.9368 6.9368 7.2624 7.2624 7.8730 7.8730 7.9227 7.9227 8.2378 8.2378 8.6244 8.6244 8.9585 8.9585 9.0708 9.0708 9.4258 9.4258 13.2874 13.2874 13.3721 13.3721 14.0550 14.0550 15.0090 15.0090 k = 0.3684 0.3684-0.0000 ( 2352 PWs) bands (ev): -45.4561 -45.4561 -23.1039 -23.1039 -21.0937 -21.0937 -20.9899 -20.9899 -7.7403 -7.7403 -6.7985 -6.7985 -6.6858 -6.6858 4.2760 4.2760 4.3654 4.3654 4.7790 4.7790 5.9332 5.9332 6.0102 6.0102 6.9134 6.9134 7.2651 7.2651 7.8804 7.8804 7.9209 7.9209 8.2318 8.2318 8.6425 8.6425 8.9569 8.9569 9.0632 9.0632 9.4003 9.4003 13.2391 13.2391 13.3266 13.3266 13.9862 13.9862 14.9656 14.9656 k = 0.3596 0.3596-0.0000 ( 2348 PWs) bands (ev): -45.4562 -45.4562 -23.1023 -23.1023 -21.0902 -21.0902 -20.9889 -20.9889 -7.7428 -7.7428 -6.8267 -6.8267 -6.7131 -6.7131 4.3410 4.3410 4.4124 4.4124 4.8436 4.8436 5.9506 5.9506 6.0367 6.0367 6.8922 6.8922 7.2684 7.2684 7.8884 7.8884 7.9184 7.9184 8.2253 8.2253 8.6552 8.6552 8.9582 8.9582 9.0555 9.0555 9.3740 9.3740 13.1884 13.1884 13.2787 13.2787 13.9142 13.9142 14.9175 14.9175 k = 0.3509 0.3509-0.0000 ( 2354 PWs) bands (ev): -45.4564 -45.4564 -23.1007 -23.1007 -21.0866 -21.0866 -20.9880 -20.9880 -7.7457 -7.7457 -6.8561 -6.8561 -6.7412 -6.7412 4.4084 4.4084 4.4627 4.4627 4.9114 4.9114 5.9688 5.9688 6.0647 6.0647 6.8733 6.8733 7.2722 7.2722 7.8969 7.8969 7.9152 7.9152 8.2182 8.2182 8.6620 8.6620 8.9625 8.9625 9.0478 9.0478 9.3470 9.3470 13.1355 13.1355 13.2287 13.2287 13.8394 13.8394 14.8648 14.8648 k = 0.3421 0.3421-0.0000 ( 2350 PWs) bands (ev): -45.4564 -45.4564 -23.0990 -23.0990 -21.0829 -21.0829 -20.9870 -20.9870 -7.7488 -7.7488 -6.8866 -6.8866 -6.7701 -6.7701 4.4770 4.4770 4.5172 4.5172 4.9821 4.9821 5.9878 5.9878 6.0945 6.0945 6.8570 6.8570 7.2767 7.2767 7.9057 7.9057 7.9117 7.9117 8.2107 8.2107 8.6629 8.6629 8.9694 8.9694 9.0406 9.0406 9.3196 9.3196 13.0807 13.0807 13.1765 13.1765 13.7621 13.7621 14.8071 14.8071 k = 0.3333 0.3333-0.0000 ( 2344 PWs) bands (ev): -45.4564 -45.4564 -23.0972 -23.0972 -21.0789 -21.0789 -20.9860 -20.9860 -7.7522 -7.7522 -6.9180 -6.9180 -6.7995 -6.7995 4.5439 4.5439 4.5787 4.5787 5.0556 5.0556 6.0075 6.0075 6.1259 6.1259 6.8436 6.8436 7.2818 7.2818 7.9063 7.9063 7.9164 7.9164 8.2027 8.2027 8.6583 8.6583 8.9775 8.9775 9.0343 9.0343 9.2921 9.2921 13.0242 13.0242 13.1224 13.1224 13.6825 13.6825 14.7447 14.7447 k = 0.3246 0.3246-0.0000 ( 2348 PWs) bands (ev): -45.4566 -45.4566 -23.0954 -23.0954 -21.0749 -21.0749 -20.9849 -20.9849 -7.7560 -7.7560 -6.9502 -6.9502 -6.8293 -6.8293 4.6067 4.6067 4.6492 4.6492 5.1315 5.1315 6.0279 6.0279 6.1589 6.1589 6.8332 6.8332 7.2877 7.2877 7.9013 7.9013 7.9266 7.9266 8.1943 8.1943 8.6489 8.6489 8.9842 8.9842 9.0304 9.0304 9.2647 9.2647 12.9660 12.9660 13.0664 13.0664 13.6008 13.6008 14.6775 14.6775 k = 0.3158 0.3158-0.0000 ( 2344 PWs) bands (ev): -45.4567 -45.4567 -23.0935 -23.0935 -21.0708 -21.0708 -20.9838 -20.9838 -7.7601 -7.7601 -6.9831 -6.9831 -6.8596 -6.8596 4.6676 4.6676 4.7262 4.7262 5.2096 5.2096 6.0489 6.0489 6.1934 6.1934 6.8260 6.8260 7.2943 7.2943 7.8957 7.8957 7.9376 7.9376 8.1856 8.1856 8.6358 8.6358 8.9859 8.9859 9.0313 9.0313 9.2378 9.2378 12.9065 12.9065 13.0087 13.0087 13.5174 13.5174 14.6055 14.6055 k = 0.3070 0.3070-0.0000 ( 2354 PWs) bands (ev): -45.4570 -45.4570 -23.0915 -23.0915 -21.0665 -21.0665 -20.9826 -20.9826 -7.7647 -7.7647 -7.0163 -7.0163 -6.8901 -6.8901 4.7288 4.7288 4.8070 4.8070 5.2897 5.2897 6.0706 6.0706 6.2294 6.2294 6.8222 6.8222 7.3019 7.3019 7.8894 7.8894 7.9493 7.9493 8.1764 8.1764 8.6196 8.6196 8.9814 8.9814 9.0366 9.0366 9.2120 9.2120 12.8458 12.8458 12.9493 12.9493 13.4324 13.4324 14.5289 14.5289 k = 0.2982 0.2982-0.0000 ( 2350 PWs) bands (ev): -45.4571 -45.4571 -23.0896 -23.0896 -21.0621 -21.0621 -20.9814 -20.9814 -7.7697 -7.7697 -7.0499 -7.0499 -6.9208 -6.9208 4.7913 4.7913 4.8906 4.8906 5.3714 5.3714 6.0928 6.0928 6.2669 6.2669 6.8220 6.8220 7.3103 7.3103 7.8827 7.8827 7.9617 7.9617 8.1671 8.1671 8.6012 8.6012 8.9730 8.9730 9.0428 9.0428 9.1883 9.1883 12.7840 12.7840 12.8885 12.8885 13.3462 13.3462 14.4480 14.4480 k = 0.2895 0.2895-0.0000 ( 2350 PWs) bands (ev): -45.4573 -45.4573 -23.0876 -23.0876 -21.0577 -21.0577 -20.9802 -20.9802 -7.7752 -7.7752 -7.0835 -7.0835 -6.9517 -6.9517 4.8552 4.8552 4.9762 4.9762 5.4545 5.4545 6.1156 6.1156 6.3059 6.3059 6.8256 6.8256 7.3198 7.3198 7.8756 7.8756 7.9747 7.9747 8.1575 8.1575 8.5809 8.5809 8.9621 8.9621 9.0463 9.0463 9.1682 9.1682 12.7213 12.7213 12.8264 12.8264 13.2590 13.2590 14.3629 14.3629 k = 0.2807 0.2807-0.0000 ( 2350 PWs) bands (ev): -45.4574 -45.4574 -23.0855 -23.0855 -21.0531 -21.0531 -20.9790 -20.9790 -7.7813 -7.7813 -7.1170 -7.1170 -6.9825 -6.9825 4.9206 4.9206 5.0635 5.0635 5.5386 5.5386 6.1389 6.1389 6.3463 6.3463 6.8331 6.8331 7.3303 7.3303 7.8682 7.8682 7.9884 7.9884 8.1477 8.1477 8.5592 8.5592 8.9493 8.9493 9.0441 9.0441 9.1534 9.1534 12.6579 12.6579 12.7631 12.7631 13.1710 13.1710 14.2737 14.2737 k = 0.2719 0.2719-0.0000 ( 2342 PWs) bands (ev): -45.4575 -45.4575 -23.0835 -23.0835 -21.0485 -21.0485 -20.9777 -20.9777 -7.7879 -7.7879 -7.1502 -7.1502 -7.0133 -7.0133 4.9875 4.9875 5.1519 5.1519 5.6235 5.6235 6.1626 6.1626 6.3880 6.3880 6.8450 6.8450 7.3420 7.3420 7.8606 7.8606 8.0028 8.0028 8.1377 8.1377 8.5366 8.5366 8.9348 8.9348 9.0350 9.0350 9.1450 9.1450 12.5940 12.5940 12.6988 12.6988 13.0825 13.0825 14.1807 14.1807 k = 0.2632 0.2632-0.0000 ( 2342 PWs) bands (ev): -45.4576 -45.4576 -23.0814 -23.0814 -21.0439 -21.0439 -20.9765 -20.9765 -7.7952 -7.7952 -7.1830 -7.1830 -7.0440 -7.0440 5.0557 5.0557 5.2413 5.2413 5.7087 5.7087 6.1868 6.1868 6.4311 6.4311 6.8611 6.8611 7.3550 7.3550 7.8529 7.8529 8.0179 8.0179 8.1276 8.1276 8.5132 8.5132 8.9186 8.9186 9.0202 9.0202 9.1413 9.1413 12.5296 12.5296 12.6337 12.6337 12.9937 12.9937 14.0842 14.0842 k = 0.2544 0.2544-0.0000 ( 2342 PWs) bands (ev): -45.4577 -45.4577 -23.0793 -23.0793 -21.0392 -21.0392 -20.9752 -20.9752 -7.8031 -7.8031 -7.2151 -7.2151 -7.0744 -7.0744 5.1251 5.1251 5.3311 5.3311 5.7939 5.7939 6.2114 6.2114 6.4754 6.4754 6.8818 6.8818 7.3692 7.3692 7.8452 7.8452 8.0336 8.0336 8.1175 8.1175 8.4893 8.4893 8.9003 8.9003 9.0022 9.0022 9.1401 9.1401 12.4649 12.4649 12.5679 12.5679 12.9048 12.9048 13.9845 13.9845 k = 0.2456 0.2456-0.0000 ( 2342 PWs) bands (ev): -45.4579 -45.4579 -23.0772 -23.0772 -21.0345 -21.0345 -20.9739 -20.9739 -7.8118 -7.8118 -7.2463 -7.2463 -7.1046 -7.1046 5.1954 5.1954 5.4210 5.4210 5.8786 5.8786 6.2364 6.2364 6.5210 6.5210 6.9073 6.9073 7.3848 7.3848 7.8377 7.8377 8.0499 8.0499 8.1073 8.1073 8.4651 8.4651 8.8801 8.8801 8.9829 8.9829 9.1392 9.1392 12.4001 12.4001 12.5015 12.5015 12.8162 12.8162 13.8817 13.8817 k = 0.2368 0.2368-0.0000 ( 2342 PWs) bands (ev): -45.4581 -45.4581 -23.0751 -23.0751 -21.0298 -21.0298 -20.9726 -20.9726 -7.8213 -7.8213 -7.2766 -7.2766 -7.1344 -7.1344 5.2666 5.2666 5.5106 5.5106 5.9624 5.9624 6.2620 6.2620 6.5677 6.5677 6.9378 6.9378 7.4020 7.4020 7.8307 7.8307 8.0666 8.0666 8.0974 8.0974 8.4407 8.4407 8.8579 8.8579 8.9633 8.9633 9.1373 9.1373 12.3353 12.3353 12.4348 12.4348 12.7280 12.7280 13.7763 13.7763 k = 0.2281 0.2281-0.0000 ( 2340 PWs) bands (ev): -45.4582 -45.4582 -23.0730 -23.0730 -21.0252 -21.0252 -20.9713 -20.9713 -7.8316 -7.8316 -7.3056 -7.3056 -7.1638 -7.1638 5.3384 5.3384 5.5994 5.5994 6.0448 6.0448 6.2883 6.2883 6.6155 6.6155 6.9735 6.9735 7.4206 7.4206 7.8243 7.8243 8.0814 8.0814 8.0901 8.0901 8.4164 8.4164 8.8340 8.8340 8.9440 8.9440 9.1337 9.1337 12.2707 12.2707 12.3680 12.3680 12.6405 12.6405 13.6684 13.6684 k = 0.2193 0.2193-0.0000 ( 2340 PWs) bands (ev): -45.4583 -45.4583 -23.0710 -23.0710 -21.0205 -21.0205 -20.9700 -20.9700 -7.8427 -7.8427 -7.3333 -7.3333 -7.1926 -7.1926 5.4105 5.4105 5.6869 5.6869 6.1249 6.1249 6.3158 6.3158 6.6643 6.6643 7.0143 7.0143 7.4409 7.4409 7.8188 7.8188 8.0757 8.0757 8.1040 8.1040 8.3922 8.3922 8.8086 8.8086 8.9250 8.9250 9.1280 9.1280 12.2063 12.2063 12.3011 12.3011 12.5539 12.5539 13.5584 13.5584 k = 0.2105 0.2105-0.0000 ( 2350 PWs) bands (ev): -45.4586 -45.4586 -23.0690 -23.0690 -21.0159 -21.0159 -20.9688 -20.9688 -7.8547 -7.8547 -7.3596 -7.3596 -7.2209 -7.2209 5.4828 5.4828 5.7726 5.7726 6.2014 6.2014 6.3456 6.3456 6.7141 6.7141 7.0603 7.0603 7.4627 7.4627 7.8145 7.8145 8.0660 8.0660 8.1225 8.1225 8.3682 8.3682 8.7819 8.7819 8.9060 8.9060 9.1199 9.1199 12.1424 12.1424 12.2345 12.2345 12.4686 12.4686 13.4465 13.4465 k = 0.2018 0.2018-0.0000 ( 2348 PWs) bands (ev): -45.4587 -45.4587 -23.0669 -23.0669 -21.0114 -21.0114 -20.9675 -20.9675 -7.8676 -7.8676 -7.3843 -7.3843 -7.2486 -7.2486 5.5549 5.5549 5.8561 5.8561 6.2714 6.2714 6.3804 6.3804 6.7648 6.7648 7.1115 7.1115 7.4861 7.4861 7.8119 7.8119 8.0563 8.0563 8.1419 8.1419 8.3447 8.3447 8.7545 8.7545 8.8870 8.8870 9.1093 9.1093 12.0790 12.0790 12.1682 12.1682 12.3847 12.3847 13.3330 13.3330 k = 0.1930 0.1930-0.0000 ( 2352 PWs) bands (ev): -45.4589 -45.4589 -23.0650 -23.0650 -21.0069 -21.0069 -20.9662 -20.9662 -7.8813 -7.8813 -7.4074 -7.4074 -7.2756 -7.2756 5.6266 5.6266 5.9367 5.9367 6.3293 6.3293 6.4258 6.4258 6.8162 6.8162 7.1675 7.1675 7.5109 7.5109 7.8116 7.8116 8.0467 8.0467 8.1618 8.1618 8.3216 8.3216 8.7263 8.7263 8.8677 8.8677 9.0959 9.0959 12.0163 12.0163 12.1025 12.1025 12.3026 12.3026 13.2184 13.2184 k = 0.1842 0.1842-0.0000 ( 2360 PWs) bands (ev): -45.4592 -45.4592 -23.0631 -23.0631 -21.0025 -21.0025 -20.9650 -20.9650 -7.8958 -7.8958 -7.4288 -7.4288 -7.3018 -7.3018 5.6975 5.6975 6.0139 6.0139 6.3722 6.3722 6.4847 6.4847 6.8684 6.8684 7.2281 7.2281 7.5366 7.5366 7.8141 7.8141 8.0374 8.0374 8.1821 8.1821 8.2992 8.2992 8.6976 8.6976 8.8479 8.8479 9.0797 9.0797 11.9544 11.9544 12.0375 12.0375 12.2225 12.2225 13.1028 13.1028 k = 0.1754 0.1754-0.0000 ( 2360 PWs) bands (ev): -45.4593 -45.4593 -23.0612 -23.0612 -20.9981 -20.9981 -20.9638 -20.9638 -7.9109 -7.9109 -7.4485 -7.4485 -7.3272 -7.3272 5.7675 5.7675 6.0871 6.0871 6.4052 6.4052 6.5520 6.5520 6.9212 6.9212 7.2928 7.2928 7.5629 7.5629 7.8204 7.8204 8.0285 8.0285 8.2029 8.2029 8.2776 8.2776 8.6687 8.6687 8.8276 8.8276 9.0606 9.0606 11.8935 11.8935 11.9736 11.9736 12.1446 12.1446 12.9866 12.9866 k = 0.1667 0.1667-0.0000 ( 2366 PWs) bands (ev): -45.4595 -45.4595 -23.0593 -23.0593 -20.9940 -20.9940 -20.9626 -20.9626 -7.9266 -7.9266 -7.4666 -7.4666 -7.3517 -7.3517 5.8362 5.8362 6.1559 6.1559 6.4337 6.4337 6.6227 6.6227 6.9745 6.9745 7.3608 7.3608 7.5887 7.5887 7.8314 7.8314 8.0201 8.0201 8.2240 8.2240 8.2568 8.2568 8.6396 8.6396 8.8065 8.8065 9.0386 9.0386 11.8338 11.8338 11.9107 11.9107 12.0693 12.0693 12.8702 12.8702 k = 0.1579 0.1579-0.0000 ( 2357 PWs) bands (ev): -45.4596 -45.4596 -23.0576 -23.0576 -20.9899 -20.9899 -20.9615 -20.9615 -7.9428 -7.9428 -7.4830 -7.4830 -7.3753 -7.3753 5.9033 5.9033 6.2198 6.2198 6.4600 6.4600 6.6947 6.6947 7.0282 7.0282 7.4315 7.4315 7.6136 7.6136 7.8482 7.8482 8.0126 8.0126 8.2368 8.2368 8.2456 8.2456 8.6104 8.6104 8.7845 8.7845 9.0138 9.0138 11.7754 11.7754 11.8493 11.8493 11.9968 11.9968 12.7539 12.7539 k = 0.1491 0.1491-0.0000 ( 2357 PWs) bands (ev): -45.4597 -45.4597 -23.0558 -23.0558 -20.9859 -20.9859 -20.9604 -20.9604 -7.9592 -7.9592 -7.4979 -7.4979 -7.3979 -7.3979 5.9685 5.9685 6.2785 6.2785 6.4851 6.4851 6.7671 6.7671 7.0820 7.0820 7.5035 7.5035 7.6371 7.6371 7.8714 7.8714 8.0059 8.0059 8.2183 8.2183 8.2669 8.2669 8.5812 8.5812 8.7616 8.7616 8.9860 8.9860 11.7184 11.7184 11.7893 11.7893 11.9272 11.9272 12.6382 12.6382 k = 0.1404 0.1404-0.0000 ( 2361 PWs) bands (ev): -45.4599 -45.4599 -23.0542 -23.0542 -20.9821 -20.9821 -20.9593 -20.9593 -7.9757 -7.9757 -7.5113 -7.5113 -7.4195 -7.4195 6.0315 6.0315 6.3318 6.3318 6.5095 6.5095 6.8396 6.8396 7.1358 7.1358 7.5745 7.5745 7.6604 7.6604 7.9007 7.9007 8.0010 8.0010 8.2008 8.2008 8.2885 8.2885 8.5521 8.5521 8.7375 8.7375 8.9553 8.9553 11.6631 11.6631 11.7310 11.7310 11.8608 11.8608 12.5234 12.5234 k = 0.1316 0.1316-0.0000 ( 2367 PWs) bands (ev): -45.4601 -45.4601 -23.0526 -23.0526 -20.9785 -20.9785 -20.9582 -20.9582 -7.9922 -7.9922 -7.5234 -7.5234 -7.4400 -7.4400 6.0920 6.0920 6.3797 6.3797 6.5332 6.5332 6.9121 6.9121 7.1893 7.1893 7.6359 7.6359 7.6915 7.6915 7.9338 7.9338 8.0000 8.0000 8.1848 8.1848 8.3100 8.3100 8.5230 8.5230 8.7123 8.7123 8.9216 8.9216 11.6096 11.6096 11.6747 11.6747 11.7979 11.7979 12.4100 12.4100 k = 0.1228 0.1228-0.0000 ( 2375 PWs) bands (ev): -45.4603 -45.4603 -23.0511 -23.0511 -20.9751 -20.9751 -20.9573 -20.9573 -8.0084 -8.0084 -7.5342 -7.5342 -7.4594 -7.4594 6.1496 6.1496 6.4225 6.4225 6.5564 6.5564 6.9845 6.9845 7.2422 7.2422 7.6710 7.6710 7.7463 7.7463 7.9623 7.9623 8.0109 8.0109 8.1704 8.1704 8.3313 8.3313 8.4942 8.4942 8.6857 8.6857 8.8852 8.8852 11.5582 11.5582 11.6204 11.6204 11.7384 11.7384 12.2986 12.2986 k = 0.1140 0.1140-0.0000 ( 2379 PWs) bands (ev): -45.4604 -45.4604 -23.0497 -23.0497 -20.9718 -20.9718 -20.9563 -20.9563 -8.0243 -8.0243 -7.5438 -7.5438 -7.4776 -7.4776 6.2041 6.2041 6.4605 6.4605 6.5788 6.5788 7.0564 7.0564 7.2941 7.2941 7.6914 7.6914 7.8121 7.8121 7.9763 7.9763 8.0437 8.0437 8.1583 8.1583 8.3523 8.3523 8.4657 8.4657 8.6579 8.6579 8.8461 8.8461 11.5090 11.5090 11.5684 11.5684 11.6827 11.6827 12.1897 12.1897 k = 0.1053 0.1053-0.0000 ( 2375 PWs) bands (ev): -45.4605 -45.4605 -23.0484 -23.0484 -20.9687 -20.9687 -20.9555 -20.9555 -8.0395 -8.0395 -7.5524 -7.5524 -7.4946 -7.4946 6.2551 6.2551 6.4945 6.4945 6.6002 6.6002 7.1277 7.1277 7.3446 7.3446 7.7087 7.7087 7.8730 7.8730 7.9891 7.9891 8.0864 8.0864 8.1504 8.1504 8.3730 8.3730 8.4376 8.4376 8.6287 8.6287 8.8044 8.8044 11.4624 11.4624 11.5188 11.5188 11.6307 11.6307 12.0839 12.0839 k = 0.0965 0.0965-0.0000 ( 2377 PWs) bands (ev): -45.4606 -45.4606 -23.0472 -23.0472 -20.9658 -20.9658 -20.9546 -20.9546 -8.0541 -8.0541 -7.5600 -7.5600 -7.5104 -7.5104 6.3020 6.3020 6.5252 6.5252 6.6203 6.6203 7.1977 7.1977 7.3931 7.3931 7.7261 7.7261 7.9155 7.9155 8.0178 8.0178 8.1180 8.1180 8.1600 8.1600 8.3929 8.3929 8.4100 8.4100 8.5981 8.5981 8.7601 8.7601 11.4184 11.4184 11.4719 11.4719 11.5825 11.5825 11.9820 11.9820 k = 0.0877 0.0877-0.0000 ( 2375 PWs) bands (ev): -45.4607 -45.4607 -23.0460 -23.0460 -20.9632 -20.9632 -20.9539 -20.9539 -8.0678 -8.0678 -7.5667 -7.5667 -7.5250 -7.5250 6.3446 6.3446 6.5534 6.5534 6.6388 6.6388 7.2659 7.2659 7.4387 7.4387 7.7452 7.7452 7.9360 7.9360 8.0652 8.0652 8.1232 8.1232 8.2017 8.2017 8.3825 8.3825 8.4128 8.4128 8.5660 8.5660 8.7136 8.7136 11.3774 11.3774 11.4277 11.4277 11.5382 11.5382 11.8848 11.8848 k = 0.0789 0.0789-0.0000 ( 2375 PWs) bands (ev): -45.4607 -45.4607 -23.0450 -23.0450 -20.9608 -20.9608 -20.9532 -20.9532 -8.0805 -8.0805 -7.5725 -7.5725 -7.5382 -7.5382 6.3824 6.3824 6.5798 6.5798 6.6556 6.6556 7.3314 7.3314 7.4806 7.4806 7.7670 7.7670 7.9472 7.9472 8.1011 8.1011 8.1418 8.1418 8.2509 8.2509 8.3562 8.3562 8.4315 8.4315 8.5325 8.5325 8.6649 8.6649 11.3395 11.3395 11.3864 11.3864 11.4977 11.4977 11.7932 11.7932 k = 0.0702 0.0702-0.0000 ( 2367 PWs) bands (ev): -45.4607 -45.4607 -23.0440 -23.0440 -20.9586 -20.9586 -20.9525 -20.9525 -8.0922 -8.0922 -7.5776 -7.5776 -7.5501 -7.5501 6.4151 6.4151 6.6049 6.6049 6.6705 6.6705 7.3934 7.3934 7.5179 7.5179 7.7925 7.7925 7.9574 7.9574 8.1052 8.1052 8.1923 8.1923 8.2992 8.2992 8.3318 8.3318 8.4493 8.4493 8.4976 8.4976 8.6142 8.6142 11.3050 11.3050 11.3479 11.3479 11.4611 11.4611 11.7084 11.7084 k = 0.0614 0.0614-0.0000 ( 2363 PWs) bands (ev): -45.4607 -45.4607 -23.0432 -23.0432 -20.9566 -20.9566 -20.9520 -20.9520 -8.1027 -8.1027 -7.5820 -7.5820 -7.5607 -7.5607 6.4427 6.4427 6.6287 6.6287 6.6834 6.6834 7.4505 7.4505 7.5498 7.5498 7.8226 7.8226 7.9698 7.9698 8.1052 8.1052 8.2438 8.2438 8.3044 8.3044 8.3503 8.3503 8.4590 8.4590 8.4685 8.4685 8.5620 8.5620 11.2740 11.2740 11.3123 11.3123 11.4282 11.4282 11.6315 11.6315 k = 0.0526 0.0526-0.0000 ( 2367 PWs) bands (ev): -45.4608 -45.4608 -23.0425 -23.0425 -20.9549 -20.9549 -20.9515 -20.9515 -8.1120 -8.1120 -7.5857 -7.5857 -7.5699 -7.5699 6.4655 6.4655 6.6510 6.6510 6.6944 6.6944 7.5012 7.5012 7.5760 7.5760 7.8576 7.8576 7.9863 7.9863 8.1063 8.1063 8.2726 8.2726 8.2994 8.2994 8.3941 8.3941 8.4227 8.4227 8.4827 8.4827 8.5089 8.5089 11.2467 11.2467 11.2796 11.2796 11.3991 11.3991 11.5638 11.5638 k = 0.0439 0.0439-0.0000 ( 2355 PWs) bands (ev): -45.4607 -45.4607 -23.0418 -23.0418 -20.9534 -20.9534 -20.9510 -20.9510 -8.1199 -8.1199 -7.5888 -7.5888 -7.5777 -7.5777 6.4837 6.4837 6.6714 6.6714 6.7035 6.7035 7.5445 7.5445 7.5967 7.5967 7.8978 7.8978 8.0077 8.0077 8.1094 8.1094 8.2538 8.2538 8.3353 8.3353 8.3837 8.3837 8.4304 8.4304 8.4576 8.4576 8.4987 8.4987 11.2234 11.2234 11.2499 11.2499 11.3737 11.3737 11.5065 11.5065 k = 0.0351 0.0351-0.0000 ( 2351 PWs) bands (ev): -45.4607 -45.4607 -23.0413 -23.0413 -20.9522 -20.9522 -20.9507 -20.9507 -8.1265 -8.1265 -7.5912 -7.5912 -7.5841 -7.5841 6.4978 6.4978 6.6892 6.6892 6.7108 6.7108 7.5794 7.5794 7.6124 7.6124 7.9428 7.9428 8.0341 8.0341 8.1148 8.1148 8.2321 8.2321 8.3433 8.3433 8.3648 8.3648 8.3970 8.3970 8.4735 8.4735 8.5123 8.5123 11.2040 11.2040 11.2236 11.2236 11.3519 11.3519 11.4604 11.4604 k = 0.0263 0.0263-0.0000 ( 2351 PWs) bands (ev): -45.4607 -45.4607 -23.0409 -23.0409 -20.9513 -20.9513 -20.9504 -20.9504 -8.1317 -8.1317 -7.5931 -7.5931 -7.5891 -7.5891 6.5083 6.5083 6.7038 6.7038 6.7165 6.7165 7.6055 7.6055 7.6237 7.6237 7.9920 7.9920 8.0652 8.0652 8.1226 8.1226 8.2113 8.2113 8.3016 8.3016 8.3357 8.3357 8.3950 8.3950 8.5021 8.5021 8.5243 8.5243 11.1888 11.1888 11.2012 11.2012 11.3341 11.3341 11.4259 11.4259 k = 0.0175 0.0175-0.0000 ( 2359 PWs) bands (ev): -45.4608 -45.4608 -23.0406 -23.0406 -20.9506 -20.9506 -20.9502 -20.9502 -8.1354 -8.1354 -7.5945 -7.5945 -7.5927 -7.5927 6.5155 6.5155 6.7146 6.7146 6.7204 6.7204 7.6234 7.6234 7.6312 7.6312 8.0444 8.0444 8.0997 8.0997 8.1330 8.1330 8.1918 8.1918 8.2578 8.2578 8.2817 8.2817 8.4111 8.4111 8.5239 8.5239 8.5338 8.5338 11.1779 11.1779 11.1839 11.1839 11.3206 11.3206 11.4024 11.4024 k = 0.0088 0.0088-0.0000 ( 2359 PWs) bands (ev): -45.4608 -45.4608 -23.0404 -23.0404 -20.9502 -20.9502 -20.9501 -20.9501 -8.1376 -8.1376 -7.5953 -7.5953 -7.5948 -7.5948 6.5197 6.5197 6.7213 6.7213 6.7228 6.7228 7.6337 7.6337 7.6356 7.6356 8.0992 8.0992 8.1338 8.1338 8.1479 8.1479 8.1741 8.1741 8.2090 8.2090 8.2327 8.2327 8.4207 8.4207 8.5375 8.5375 8.5399 8.5399 11.1713 11.1713 11.1729 11.1729 11.3122 11.3122 11.3890 11.3890 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -45.4610 -45.4610 -23.0404 -23.0404 -20.9501 -20.9501 -20.9501 -20.9501 -8.1384 -8.1384 -7.5956 -7.5956 -7.5956 -7.5956 6.5211 6.5211 6.7236 6.7236 6.7236 6.7236 7.6369 7.6369 7.6369 7.6369 8.1543 8.1543 8.1543 8.1543 8.1552 8.1552 8.1552 8.1552 8.1717 8.1717 8.2018 8.2018 8.4239 8.4239 8.5420 8.5420 8.5420 8.5420 11.1691 11.1691 11.1691 11.1691 11.3093 11.3093 11.3846 11.3846 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -45.4610 -45.4610 -23.0404 -23.0404 -20.9501 -20.9501 -20.9501 -20.9501 -8.1384 -8.1384 -7.5956 -7.5956 -7.5956 -7.5956 6.5211 6.5211 6.7236 6.7236 6.7236 6.7236 7.6369 7.6369 7.6369 7.6369 8.1543 8.1543 8.1543 8.1543 8.1552 8.1552 8.1552 8.1552 8.1717 8.1717 8.2018 8.2018 8.4239 8.4239 8.5420 8.5420 8.5420 8.5420 11.1691 11.1691 11.1691 11.1691 11.3093 11.3093 11.3846 11.3846 k = 0.0072 0.0072 0.0072 ( 2352 PWs) bands (ev): -45.4607 -45.4607 -23.0404 -23.0404 -20.9502 -20.9502 -20.9502 -20.9502 -8.1376 -8.1376 -7.5951 -7.5951 -7.5950 -7.5950 6.5196 6.5196 6.7213 6.7213 6.7227 6.7227 7.6336 7.6336 7.6357 7.6357 8.0970 8.0970 8.1357 8.1357 8.1560 8.1560 8.1628 8.1628 8.2129 8.2129 8.2327 8.2327 8.4207 8.4207 8.5382 8.5382 8.5390 8.5390 11.1722 11.1722 11.1723 11.1723 11.3123 11.3123 11.3891 11.3891 k = 0.0145 0.0145 0.0145 ( 2352 PWs) bands (ev): -45.4607 -45.4607 -23.0406 -23.0406 -20.9504 -20.9504 -20.9504 -20.9504 -8.1353 -8.1353 -7.5936 -7.5936 -7.5934 -7.5934 6.5153 6.5153 6.7145 6.7145 6.7203 6.7203 7.6228 7.6228 7.6313 7.6313 8.0403 8.0403 8.1005 8.1005 8.1573 8.1573 8.1631 8.1631 8.2704 8.2704 8.2776 8.2776 8.4110 8.4110 8.5267 8.5267 8.5301 8.5301 11.1809 11.1809 11.1815 11.1815 11.3207 11.3207 11.4030 11.4030 k = 0.0217 0.0217 0.0217 ( 2349 PWs) bands (ev): -45.4607 -45.4607 -23.0409 -23.0409 -20.9509 -20.9509 -20.9508 -20.9508 -8.1315 -8.1315 -7.5913 -7.5913 -7.5908 -7.5908 6.5080 6.5080 6.7035 6.7035 6.7161 6.7161 7.6045 7.6045 7.6229 7.6229 7.9860 7.9860 8.0684 8.0684 8.1595 8.1595 8.1654 8.1654 8.3241 8.3241 8.3268 8.3268 8.3955 8.3955 8.5082 8.5082 8.5156 8.5156 11.1946 11.1946 11.1969 11.1969 11.3337 11.3337 11.4276 11.4276 k = 0.0290 0.0290 0.0290 ( 2349 PWs) bands (ev): -45.4606 -45.4606 -23.0413 -23.0413 -20.9515 -20.9515 -20.9515 -20.9515 -8.1261 -8.1261 -7.5879 -7.5879 -7.5871 -7.5871 6.4973 6.4973 6.6886 6.6886 6.7103 6.7103 7.5782 7.5782 7.6091 7.6091 7.9360 7.9360 8.0420 8.0420 8.1626 8.1626 8.1689 8.1689 8.3604 8.3604 8.3813 8.3813 8.3841 8.3841 8.4834 8.4834 8.4962 8.4962 11.2121 11.2121 11.2181 11.2181 11.3509 11.3509 11.4637 11.4637 k = 0.0362 0.0362 0.0362 ( 2355 PWs) bands (ev): -45.4607 -45.4607 -23.0419 -23.0419 -20.9523 -20.9523 -20.9523 -20.9523 -8.1193 -8.1193 -7.5837 -7.5837 -7.5823 -7.5823 6.4828 6.4828 6.6704 6.6704 6.7027 6.7027 7.5441 7.5441 7.5878 7.5878 7.8926 7.8926 8.0218 8.0218 8.1664 8.1664 8.1734 8.1734 8.3397 8.3397 8.4209 8.4209 8.4287 8.4287 8.4557 8.4557 8.4775 8.4775 11.2321 11.2321 11.2451 11.2451 11.3723 11.3723 11.5115 11.5115 k = 0.0435 0.0435 0.0435 ( 2358 PWs) bands (ev): -45.4607 -45.4607 -23.0425 -23.0425 -20.9533 -20.9533 -20.9532 -20.9532 -8.1109 -8.1109 -7.5785 -7.5785 -7.5765 -7.5765 6.4643 6.4643 6.6497 6.6497 6.6933 6.6933 7.5029 7.5029 7.5572 7.5572 7.8579 7.8579 8.0076 8.0076 8.1710 8.1710 8.1789 8.1789 8.3054 8.3054 8.4138 8.4138 8.4284 8.4284 8.4745 8.4745 8.4999 8.4999 11.2537 11.2537 11.2776 11.2776 11.3984 11.3984 11.5703 11.5703 k = 0.0507 0.0507 0.0507 ( 2358 PWs) bands (ev): -45.4606 -45.4606 -23.0433 -23.0433 -20.9544 -20.9544 -20.9543 -20.9543 -8.1011 -8.1011 -7.5723 -7.5723 -7.5697 -7.5697 6.4411 6.4411 6.6270 6.6270 6.6820 6.6820 7.4556 7.4556 7.5166 7.5166 7.8327 7.8327 7.9984 7.9984 8.1763 8.1763 8.1854 8.1854 8.2650 8.2650 8.3761 8.3761 8.3964 8.3964 8.5203 8.5203 8.5482 8.5482 11.2760 11.2760 11.3153 11.3153 11.4298 11.4298 11.6391 11.6391 k = 0.0580 0.0580 0.0580 ( 2370 PWs) bands (ev): -45.4607 -45.4607 -23.0441 -23.0441 -20.9558 -20.9558 -20.9556 -20.9556 -8.0898 -8.0898 -7.5653 -7.5653 -7.5619 -7.5619 6.4129 6.4129 6.6029 6.6029 6.6687 6.6687 7.4031 7.4031 7.4672 7.4672 7.8160 7.8160 7.9932 7.9932 8.1814 8.1814 8.1928 8.1928 8.2200 8.2200 8.3351 8.3351 8.3577 8.3577 8.5664 8.5664 8.5975 8.5975 11.2988 11.2988 11.3578 11.3578 11.4667 11.4667 11.7168 11.7168 k = 0.0652 0.0652 0.0652 ( 2370 PWs) bands (ev): -45.4607 -45.4607 -23.0451 -23.0451 -20.9573 -20.9573 -20.9571 -20.9571 -8.0770 -8.0770 -7.5573 -7.5573 -7.5530 -7.5530 6.3795 6.3795 6.5780 6.5780 6.6532 6.6532 7.3469 7.3469 7.4112 7.4112 7.8059 7.8059 7.9906 7.9906 8.1649 8.1649 8.1916 8.1916 8.2015 8.2015 8.2930 8.2930 8.3152 8.3152 8.6118 8.6118 8.6460 8.6460 11.3222 11.3222 11.4049 11.4049 11.5090 11.5090 11.8023 11.8023 k = 0.0725 0.0725 0.0725 ( 2382 PWs) bands (ev): -45.4607 -45.4607 -23.0462 -23.0462 -20.9589 -20.9589 -20.9587 -20.9587 -8.0628 -8.0628 -7.5485 -7.5485 -7.5431 -7.5431 6.3411 6.3411 6.5522 6.5522 6.6354 6.6354 7.2876 7.2876 7.3505 7.3505 7.8002 7.8002 7.9890 7.9890 8.1118 8.1118 8.1937 8.1937 8.2107 8.2107 8.2533 8.2533 8.2697 8.2697 8.6563 8.6563 8.6932 8.6932 11.3462 11.3462 11.4563 11.4563 11.5563 11.5563 11.8944 11.8944 k = 0.0797 0.0797 0.0797 ( 2373 PWs) bands (ev): -45.4605 -45.4605 -23.0474 -23.0474 -20.9607 -20.9607 -20.9604 -20.9604 -8.0472 -8.0472 -7.5387 -7.5387 -7.5323 -7.5323 6.2980 6.2980 6.5254 6.5254 6.6150 6.6150 7.2263 7.2263 7.2869 7.2869 7.7974 7.7974 7.9869 7.9869 8.0539 8.0539 8.1834 8.1834 8.2206 8.2206 8.2223 8.2223 8.2299 8.2299 8.6999 8.6999 8.7391 8.7391 11.3714 11.3714 11.5116 11.5116 11.6083 11.6083 11.9923 11.9923 k = 0.0870 0.0870 0.0870 ( 2367 PWs) bands (ev): -45.4603 -45.4603 -23.0486 -23.0486 -20.9627 -20.9627 -20.9623 -20.9623 -8.0302 -8.0302 -7.5281 -7.5281 -7.5205 -7.5205 6.2508 6.2508 6.4973 6.4973 6.5919 6.5919 7.1635 7.1635 7.2214 7.2214 7.7962 7.7962 7.9796 7.9796 7.9949 7.9949 8.1530 8.1530 8.1739 8.1739 8.2287 8.2287 8.2337 8.2337 8.7424 8.7424 8.7837 8.7837 11.3979 11.3979 11.5704 11.5704 11.6644 11.6644 12.0950 12.0950 k = 0.0942 0.0942 0.0942 ( 2367 PWs) bands (ev): -45.4602 -45.4602 -23.0500 -23.0500 -20.9648 -20.9648 -20.9644 -20.9644 -8.0119 -8.0119 -7.5166 -7.5166 -7.5077 -7.5077 6.1999 6.1999 6.4675 6.4675 6.5659 6.5659 7.0996 7.0996 7.1549 7.1549 7.7955 7.7955 7.9274 7.9274 7.9710 7.9710 8.1231 8.1231 8.1255 8.1255 8.2377 8.2377 8.2453 8.2453 8.7838 8.7838 8.8268 8.8268 11.4261 11.4261 11.6325 11.6325 11.7241 11.7241 12.2018 12.2018 k = 0.1014 0.1014 0.1014 ( 2379 PWs) bands (ev): -45.4603 -45.4603 -23.0515 -23.0515 -20.9671 -20.9671 -20.9666 -20.9666 -7.9923 -7.9923 -7.5043 -7.5043 -7.4940 -7.4940 6.1459 6.1459 6.4357 6.4357 6.5366 6.5366 7.0351 7.0351 7.0879 7.0879 7.7938 7.7938 7.8619 7.8619 7.9475 7.9475 8.0787 8.0787 8.1030 8.1030 8.2484 8.2484 8.2583 8.2583 8.8241 8.8241 8.8685 8.8685 11.4561 11.4561 11.6974 11.6974 11.7870 11.7870 12.3119 12.3119 k = 0.1087 0.1087 0.1087 ( 2370 PWs) bands (ev): -45.4601 -45.4601 -23.0531 -23.0531 -20.9694 -20.9694 -20.9690 -20.9690 -7.9713 -7.9713 -7.4911 -7.4911 -7.4794 -7.4794 6.0895 6.0895 6.4014 6.4014 6.5040 6.5040 6.9702 6.9702 7.0209 7.0209 7.7901 7.7901 7.7942 7.7942 7.9140 7.9140 8.0353 8.0353 8.0938 8.0938 8.2603 8.2603 8.2723 8.2723 8.8634 8.8634 8.9091 8.9091 11.4883 11.4883 11.7650 11.7650 11.8529 11.8529 12.4248 12.4248 k = 0.1159 0.1159 0.1159 ( 2370 PWs) bands (ev): -45.4599 -45.4599 -23.0548 -23.0548 -20.9720 -20.9720 -20.9714 -20.9714 -7.9491 -7.9491 -7.4772 -7.4772 -7.4639 -7.4639 6.0310 6.0310 6.3644 6.3644 6.4678 6.4678 6.9049 6.9049 6.9539 6.9539 7.7250 7.7250 7.7819 7.7819 7.8741 7.8741 7.9978 7.9978 8.0921 8.0921 8.2729 8.2729 8.2871 8.2871 8.9015 8.9015 8.9483 8.9483 11.5226 11.5226 11.8349 11.8349 11.9212 11.9212 12.5398 12.5398 k = 0.1232 0.1232 0.1232 ( 2370 PWs) bands (ev): -45.4598 -45.4598 -23.0565 -23.0565 -20.9746 -20.9746 -20.9741 -20.9741 -7.9257 -7.9257 -7.4625 -7.4625 -7.4476 -7.4476 5.9711 5.9711 6.3245 6.3245 6.4279 6.4279 6.8395 6.8395 6.8871 6.8871 7.6544 7.6544 7.7672 7.7672 7.8316 7.8316 7.9689 7.9689 8.0948 8.0948 8.2861 8.2861 8.3027 8.3027 8.9386 8.9386 8.9862 8.9862 11.5593 11.5593 11.9068 11.9068 11.9917 11.9917 12.6563 12.6563 k = 0.1304 0.1304 0.1304 ( 2364 PWs) bands (ev): -45.4596 -45.4596 -23.0583 -23.0583 -20.9774 -20.9774 -20.9768 -20.9768 -7.9012 -7.9012 -7.4470 -7.4470 -7.4304 -7.4304 5.9099 5.9099 6.2817 6.2817 6.3843 6.3843 6.7739 6.7739 6.8204 6.8204 7.5827 7.5827 7.7451 7.7451 7.7888 7.7888 7.9500 7.9500 8.0999 8.0999 8.2996 8.2996 8.3192 8.3192 8.9747 8.9747 9.0230 9.0230 11.5984 11.5984 11.9804 11.9804 12.0641 12.0641 12.7738 12.7738 k = 0.1377 0.1377 0.1377 ( 2358 PWs) bands (ev): -45.4594 -45.4594 -23.0602 -23.0602 -20.9802 -20.9802 -20.9796 -20.9796 -7.8755 -7.8755 -7.4308 -7.4308 -7.4124 -7.4124 5.8480 5.8480 6.2358 6.2358 6.3372 6.3372 6.7080 6.7080 6.7538 6.7538 7.5100 7.5100 7.7168 7.7168 7.7472 7.7472 7.9403 7.9403 8.1064 8.1064 8.3133 8.3133 8.3364 8.3364 9.0097 9.0097 9.0586 9.0586 11.6400 11.6400 12.0555 12.0555 12.1382 12.1382 12.8919 12.8919 k = 0.1449 0.1449 0.1449 ( 2358 PWs) bands (ev): -45.4592 -45.4592 -23.0622 -23.0622 -20.9832 -20.9832 -20.9826 -20.9826 -7.8487 -7.8487 -7.4138 -7.4138 -7.3936 -7.3936 5.7857 5.7857 6.1871 6.1871 6.2867 6.2867 6.6417 6.6417 6.6868 6.6868 7.4364 7.4364 7.6849 7.6849 7.7077 7.7077 7.9374 7.9374 8.1135 8.1135 8.3272 8.3272 8.3544 8.3544 9.0435 9.0435 9.0929 9.0929 11.6842 11.6842 12.1318 12.1318 12.2135 12.2135 13.0099 13.0099 k = 0.1522 0.1522 0.1522 ( 2358 PWs) bands (ev): -45.4591 -45.4591 -23.0642 -23.0642 -20.9863 -20.9863 -20.9856 -20.9856 -7.8209 -7.8209 -7.3962 -7.3962 -7.3741 -7.3741 5.7233 5.7233 6.1357 6.1357 6.2331 6.2331 6.5748 6.5748 6.6193 6.6193 7.3620 7.3620 7.6523 7.6523 7.6711 7.6711 7.9392 7.9392 8.1211 8.1211 8.3409 8.3409 8.3731 8.3731 9.0762 9.0762 9.1261 9.1261 11.7310 11.7310 12.2091 12.2091 12.2900 12.2900 13.1275 13.1275 k = 0.1594 0.1594 0.1594 ( 2358 PWs) bands (ev): -45.4589 -45.4589 -23.0664 -23.0664 -20.9895 -20.9895 -20.9888 -20.9888 -7.7921 -7.7921 -7.3779 -7.3779 -7.3539 -7.3539 5.6610 5.6610 6.0818 6.0818 6.1769 6.1769 6.5072 6.5072 6.5510 6.5510 7.2870 7.2870 7.6206 7.6206 7.6376 7.6376 7.9439 7.9439 8.1288 8.1288 8.3546 8.3546 8.3925 8.3925 9.1079 9.1079 9.1580 9.1580 11.7805 11.7805 12.2872 12.2872 12.3673 12.3673 13.2441 13.2441 k = 0.1667 0.1667 0.1667 ( 2340 PWs) bands (ev): -45.4585 -45.4585 -23.0685 -23.0685 -20.9928 -20.9928 -20.9920 -20.9920 -7.7623 -7.7623 -7.3590 -7.3590 -7.3330 -7.3330 5.5991 5.5991 6.0258 6.0258 6.1185 6.1185 6.4388 6.4388 6.4816 6.4816 7.2114 7.2114 7.5910 7.5910 7.6076 7.6076 7.9506 7.9506 8.1368 8.1368 8.3680 8.3680 8.4125 8.4125 9.1385 9.1385 9.1889 9.1889 11.8327 11.8327 12.3658 12.3658 12.4453 12.4453 13.3592 13.3592 k = 0.1739 0.1739 0.1739 ( 2346 PWs) bands (ev): -45.4584 -45.4584 -23.0707 -23.0707 -20.9961 -20.9961 -20.9953 -20.9953 -7.7317 -7.7317 -7.3395 -7.3395 -7.3114 -7.3114 5.5379 5.5379 5.9679 5.9679 6.0582 6.0582 6.3694 6.3694 6.4110 6.4110 7.1354 7.1354 7.5643 7.5643 7.5811 7.5811 7.9586 7.9586 8.1446 8.1446 8.3810 8.3810 8.4332 8.4332 9.1677 9.1677 9.2183 9.2183 11.8876 11.8876 12.4449 12.4449 12.5238 12.5238 13.4724 13.4724 k = 0.1812 0.1812 0.1812 ( 2346 PWs) bands (ev): -45.4582 -45.4582 -23.0730 -23.0730 -20.9996 -20.9996 -20.9987 -20.9987 -7.7002 -7.7002 -7.3194 -7.3194 -7.2892 -7.2892 5.4775 5.4775 5.9084 5.9084 5.9963 5.9963 6.2992 6.2992 6.3392 6.3392 7.0591 7.0591 7.5406 7.5406 7.5582 7.5582 7.9676 7.9676 8.1524 8.1524 8.3935 8.3935 8.4545 8.4545 9.1959 9.1959 9.2465 9.2465 11.9452 11.9452 12.5241 12.5241 12.6026 12.6026 13.5831 13.5831 k = 0.1884 0.1884 0.1884 ( 2346 PWs) bands (ev): -45.4581 -45.4581 -23.0753 -23.0753 -21.0030 -21.0030 -21.0022 -21.0022 -7.6680 -7.6680 -7.2987 -7.2987 -7.2665 -7.2665 5.4182 5.4182 5.8476 5.8476 5.9333 5.9333 6.2282 6.2282 6.2662 6.2662 6.9824 6.9824 7.5203 7.5203 7.5388 7.5388 7.9772 7.9772 8.1601 8.1601 8.4055 8.4055 8.4763 8.4763 9.2227 9.2227 9.2735 9.2735 12.0055 12.0055 12.6034 12.6034 12.6815 12.6815 13.6908 13.6908 k = 0.1957 0.1957 0.1957 ( 2349 PWs) bands (ev): -45.4579 -45.4579 -23.0777 -23.0777 -21.0066 -21.0066 -21.0057 -21.0057 -7.6351 -7.6351 -7.2775 -7.2775 -7.2432 -7.2432 5.3601 5.3601 5.7857 5.7857 5.8694 5.8694 6.1564 6.1564 6.1922 6.1922 6.9056 6.9056 7.5032 7.5032 7.5229 7.5229 7.9874 7.9874 8.1675 8.1675 8.4169 8.4169 8.4986 8.4986 9.2483 9.2483 9.2991 9.2991 12.0683 12.0683 12.6826 12.6826 12.7603 12.7603 13.7947 13.7947 k = 0.2029 0.2029 0.2029 ( 2349 PWs) bands (ev): -45.4578 -45.4578 -23.0801 -23.0801 -21.0102 -21.0102 -21.0092 -21.0092 -7.6016 -7.6016 -7.2559 -7.2559 -7.2194 -7.2194 5.3034 5.3034 5.7229 5.7229 5.8048 5.8048 6.0842 6.0842 6.1174 6.1174 6.8287 6.8287 7.4893 7.4893 7.5102 7.5102 7.9979 7.9979 8.1748 8.1748 8.4276 8.4276 8.5214 8.5214 9.2727 9.2727 9.3234 9.3234 12.1337 12.1337 12.7615 12.7615 12.8390 12.8390 13.8944 13.8944 k = 0.2101 0.2101 0.2101 ( 2349 PWs) bands (ev): -45.4576 -45.4576 -23.0825 -23.0825 -21.0138 -21.0138 -21.0129 -21.0129 -7.5674 -7.5674 -7.2338 -7.2338 -7.1951 -7.1951 5.2482 5.2482 5.6595 5.6595 5.7397 5.7397 6.0117 6.0117 6.0421 6.0421 6.7519 6.7519 7.4784 7.4784 7.5006 7.5006 8.0088 8.0088 8.1818 8.1818 8.4376 8.4376 8.5446 8.5446 9.2957 9.2957 9.3463 9.3463 12.2015 12.2015 12.8401 12.8401 12.9173 12.9173 13.9891 13.9891 k = 0.2174 0.2174 0.2174 ( 2349 PWs) bands (ev): -45.4574 -45.4574 -23.0850 -23.0850 -21.0175 -21.0175 -21.0165 -21.0165 -7.5328 -7.5328 -7.2112 -7.2112 -7.1705 -7.1705 5.1946 5.1946 5.5954 5.5954 5.6741 5.6741 5.9393 5.9393 5.9666 5.9666 6.6751 6.6751 7.4704 7.4704 7.4940 7.4940 8.0199 8.0199 8.1886 8.1886 8.4468 8.4468 8.5682 8.5682 9.3173 9.3173 9.3679 9.3679 12.2716 12.2716 12.9181 12.9181 12.9952 12.9952 14.0780 14.0780 k = 0.2246 0.2246 0.2246 ( 2349 PWs) bands (ev): -45.4572 -45.4572 -23.0875 -23.0875 -21.0212 -21.0212 -21.0202 -21.0202 -7.4977 -7.4977 -7.1883 -7.1883 -7.1455 -7.1455 5.1428 5.1428 5.5310 5.5310 5.6082 5.6082 5.8671 5.8671 5.8912 5.8912 6.5985 6.5985 7.4650 7.4650 7.4900 7.4900 8.0311 8.0311 8.1951 8.1951 8.4552 8.4552 8.5921 8.5921 9.3375 9.3375 9.3879 9.3879 12.3439 12.3439 12.9955 12.9955 13.0726 13.0726 14.1605 14.1605 k = 0.2319 0.2319 0.2319 ( 2358 PWs) bands (ev): -45.4572 -45.4572 -23.0899 -23.0899 -21.0249 -21.0249 -21.0239 -21.0239 -7.4623 -7.4623 -7.1650 -7.1650 -7.1201 -7.1201 5.0928 5.0928 5.4661 5.4661 5.5419 5.5419 5.7955 5.7955 5.8164 5.8164 6.5221 6.5221 7.4621 7.4621 7.4886 7.4886 8.0424 8.0424 8.2012 8.2012 8.4629 8.4629 8.6163 8.6163 9.3562 9.3562 9.4065 9.4065 12.4183 12.4183 13.0722 13.0722 13.1492 13.1492 14.2356 14.2356 k = 0.2391 0.2391 0.2391 ( 2347 PWs) bands (ev): -45.4568 -45.4568 -23.0924 -23.0924 -21.0286 -21.0286 -21.0276 -21.0276 -7.4266 -7.4266 -7.1414 -7.1414 -7.0945 -7.0945 5.0448 5.0448 5.4009 5.4009 5.4753 5.4753 5.7248 5.7248 5.7425 5.7425 6.4462 6.4462 7.4616 7.4616 7.4896 7.4896 8.0539 8.0539 8.2071 8.2071 8.4698 8.4698 8.6408 8.6408 9.3736 9.3736 9.4236 9.4236 12.4945 12.4945 13.1482 13.1482 13.2252 13.2252 14.3027 14.3027 k = 0.2464 0.2464 0.2464 ( 2332 PWs) bands (ev): -45.4564 -45.4564 -23.0949 -23.0949 -21.0323 -21.0323 -21.0313 -21.0313 -7.3907 -7.3907 -7.1175 -7.1175 -7.0686 -7.0686 4.9987 4.9987 5.3354 5.3354 5.4083 5.4083 5.6553 5.6553 5.6699 5.6699 6.3707 6.3707 7.4632 7.4632 7.4928 7.4928 8.0656 8.0656 8.2126 8.2126 8.4760 8.4760 8.6655 8.6655 9.3894 9.3894 9.4392 9.4392 12.5725 12.5725 13.2232 13.2232 13.3003 13.3003 14.3608 14.3608 k = 0.2536 0.2536 0.2536 ( 2332 PWs) bands (ev): -45.4562 -45.4562 -23.0974 -23.0974 -21.0360 -21.0360 -21.0350 -21.0350 -7.3546 -7.3546 -7.0934 -7.0934 -7.0426 -7.0426 4.9547 4.9547 5.2697 5.2697 5.3409 5.3409 5.5871 5.5871 5.5990 5.5990 6.2957 6.2957 7.4667 7.4667 7.4979 7.4979 8.0772 8.0772 8.2176 8.2176 8.4813 8.4813 8.6903 8.6903 9.4037 9.4037 9.4531 9.4531 12.6518 12.6518 13.2972 13.2972 13.3744 13.3744 14.4093 14.4093 k = 0.2609 0.2609 0.2609 ( 2350 PWs) bands (ev): -45.4563 -45.4563 -23.0999 -23.0999 -21.0397 -21.0397 -21.0388 -21.0388 -7.3186 -7.3186 -7.0690 -7.0690 -7.0165 -7.0165 4.9128 4.9128 5.2037 5.2037 5.2730 5.2730 5.5206 5.5206 5.5300 5.5300 6.2214 6.2214 7.4719 7.4719 7.5049 7.5049 8.0887 8.0887 8.2221 8.2221 8.4857 8.4857 8.7153 8.7153 9.4164 9.4164 9.4653 9.4653 12.7323 12.7323 13.3701 13.3701 13.4475 13.4475 14.4475 14.4475 k = 0.2681 0.2681 0.2681 ( 2350 PWs) bands (ev): -45.4561 -45.4561 -23.1024 -23.1024 -21.0434 -21.0434 -21.0425 -21.0425 -7.2826 -7.2826 -7.0444 -7.0444 -6.9903 -6.9903 4.8730 4.8730 5.1377 5.1377 5.2046 5.2046 5.4560 5.4560 5.4633 5.4633 6.1479 6.1479 7.4788 7.4788 7.5135 7.5135 8.1004 8.1004 8.2263 8.2263 8.4895 8.4895 8.7402 8.7402 9.4275 9.4275 9.4761 9.4761 12.8138 12.8138 13.4420 13.4420 13.5195 13.5195 14.4750 14.4750 k = 0.2754 0.2754 0.2754 ( 2356 PWs) bands (ev): -45.4560 -45.4560 -23.1049 -23.1049 -21.0470 -21.0470 -21.0461 -21.0461 -7.2468 -7.2468 -7.0197 -7.0197 -6.9640 -6.9640 4.8352 4.8352 5.0717 5.0717 5.1359 5.1359 5.3934 5.3934 5.3990 5.3990 6.0751 6.0751 7.4871 7.4871 7.5237 7.5237 8.1122 8.1122 8.2299 8.2299 8.4925 8.4925 8.7652 8.7652 9.4371 9.4371 9.4851 9.4851 12.8958 12.8958 13.5126 13.5126 13.5904 13.5904 14.4916 14.4916 k = 0.2826 0.2826 0.2826 ( 2356 PWs) bands (ev): -45.4558 -45.4558 -23.1073 -23.1073 -21.0507 -21.0507 -21.0498 -21.0498 -7.2112 -7.2112 -6.9948 -6.9948 -6.9378 -6.9378 4.7996 4.7996 5.0058 5.0058 5.0669 5.0669 5.3329 5.3329 5.3373 5.3373 6.0034 6.0034 7.4969 7.4969 7.5354 7.5354 8.1240 8.1240 8.2332 8.2332 8.4949 8.4949 8.7902 8.7902 9.4451 9.4451 9.4926 9.4926 12.9781 12.9781 13.5820 13.5820 13.6600 13.6600 14.4973 14.4973 k = 0.2899 0.2899 0.2899 ( 2356 PWs) bands (ev): -45.4557 -45.4557 -23.1097 -23.1097 -21.0542 -21.0542 -21.0534 -21.0534 -7.1759 -7.1759 -6.9698 -6.9698 -6.9117 -6.9117 4.7659 4.7659 4.9403 4.9403 4.9978 4.9978 5.2746 5.2746 5.2781 5.2781 5.9326 5.9326 7.5079 7.5079 7.5483 7.5483 8.1359 8.1359 8.2359 8.2359 8.4966 8.4966 8.8150 8.8150 9.4515 9.4515 9.4984 9.4984 13.0602 13.0602 13.6500 13.6500 13.7283 13.7283 14.4927 14.4927 k = 0.2971 0.2971 0.2971 ( 2353 PWs) bands (ev): -45.4554 -45.4554 -23.1121 -23.1121 -21.0577 -21.0577 -21.0569 -21.0569 -7.1411 -7.1411 -6.9447 -6.9447 -6.8857 -6.8857 4.7342 4.7342 4.8754 4.8754 4.9289 4.9289 5.2185 5.2185 5.2215 5.2215 5.8631 5.8631 7.5199 7.5199 7.5623 7.5623 8.1478 8.1478 8.2382 8.2382 8.4978 8.4978 8.8397 8.8397 9.4564 9.4564 9.5026 9.5026 13.1415 13.1415 13.7167 13.7167 13.7953 13.7953 14.4785 14.4785 k = 0.3043 0.3043 0.3043 ( 2353 PWs) bands (ev): -45.4553 -45.4553 -23.1145 -23.1145 -21.0612 -21.0612 -21.0604 -21.0604 -7.1069 -7.1069 -6.9195 -6.9195 -6.8600 -6.8600 4.7041 4.7041 4.8115 4.8115 4.8604 4.8604 5.1647 5.1647 5.1673 5.1673 5.7947 5.7947 7.5330 7.5330 7.5773 7.5773 8.1599 8.1599 8.2400 8.2400 8.4985 8.4985 8.8641 8.8641 9.4597 9.4597 9.5051 9.5051 13.2215 13.2215 13.7820 13.7820 13.8608 13.8608 14.4558 14.4558 k = 0.3116 0.3116 0.3116 ( 2359 PWs) bands (ev): -45.4552 -45.4552 -23.1168 -23.1168 -21.0646 -21.0646 -21.0639 -21.0639 -7.0733 -7.0733 -6.8943 -6.8943 -6.8344 -6.8344 4.6747 4.6747 4.7498 4.7498 4.7926 4.7926 5.1131 5.1131 5.1155 5.1155 5.7278 5.7278 7.5468 7.5468 7.5932 7.5932 8.1720 8.1720 8.2413 8.2413 8.4987 8.4987 8.8883 8.8883 9.4614 9.4614 9.5061 9.5061 13.2995 13.2995 13.8457 13.8457 13.9247 13.9247 14.4261 14.4261 k = 0.3188 0.3188 0.3188 ( 2359 PWs) bands (ev): -45.4550 -45.4550 -23.1190 -23.1190 -21.0679 -21.0679 -21.0672 -21.0672 -7.0405 -7.0405 -6.8690 -6.8690 -6.8092 -6.8092 4.6432 4.6432 4.6931 4.6931 4.7256 4.7256 5.0637 5.0637 5.0661 5.0661 5.6623 5.6623 7.5613 7.5613 7.6097 7.6097 8.1843 8.1843 8.2422 8.2422 8.4985 8.4985 8.9122 8.9122 9.4616 9.4616 9.5054 9.5054 13.3745 13.3745 13.9079 13.9079 13.9869 13.9869 14.3915 14.3915 k = 0.3261 0.3261 0.3261 ( 2359 PWs) bands (ev): -45.4548 -45.4548 -23.1213 -23.1213 -21.0712 -21.0712 -21.0705 -21.0705 -7.0086 -7.0086 -6.8438 -6.8438 -6.7844 -6.7844 4.6012 4.6012 4.6502 4.6502 4.6598 4.6598 5.0165 5.0165 5.0190 5.0190 5.5983 5.5983 7.5765 7.5765 7.6268 7.6268 8.1967 8.1967 8.2427 8.2427 8.4981 8.4981 8.9357 8.9357 9.4603 9.4603 9.5032 9.5032 13.4451 13.4451 13.9685 13.9685 14.0472 14.0472 14.3543 14.3543 k = 0.3333 0.3333 0.3333 ( 2365 PWs) bands (ev): -45.4547 -45.4547 -23.1234 -23.1234 -21.0744 -21.0744 -21.0737 -21.0737 -6.9777 -6.9777 -6.8186 -6.8186 -6.7600 -6.7600 4.5475 4.5475 4.5953 4.5953 4.6221 4.6221 4.9714 4.9714 4.9740 4.9740 5.5361 5.5361 7.5920 7.5920 7.6442 7.6442 8.2093 8.2093 8.2428 8.2428 8.4973 8.4973 8.9587 8.9587 9.4576 9.4576 9.4995 9.4995 13.5096 13.5096 14.0274 14.0274 14.1050 14.1050 14.3177 14.3177 k = 0.3406 0.3406 0.3406 ( 2362 PWs) bands (ev): -45.4545 -45.4545 -23.1255 -23.1255 -21.0775 -21.0775 -21.0769 -21.0769 -6.9479 -6.9479 -6.7934 -6.7934 -6.7361 -6.7361 4.4907 4.4907 4.5323 4.5323 4.6007 4.6007 4.9284 4.9284 4.9312 4.9312 5.4756 5.4756 7.6079 7.6079 7.6618 7.6618 8.2221 8.2221 8.2428 8.2428 8.4964 8.4964 8.9813 8.9813 9.4535 9.4535 9.4943 9.4943 13.5654 13.5654 14.0846 14.0846 14.1586 14.1586 14.2868 14.2868 k = 0.3478 0.3478 0.3478 ( 2362 PWs) bands (ev): -45.4544 -45.4544 -23.1276 -23.1276 -21.0805 -21.0805 -21.0799 -21.0799 -6.9192 -6.9192 -6.7684 -6.7684 -6.7128 -6.7128 4.4340 4.4340 4.4711 4.4711 4.5824 4.5824 4.8875 4.8875 4.8904 4.8904 5.4170 5.4170 7.6240 7.6240 7.6795 7.6795 8.2351 8.2351 8.2425 8.2425 8.4953 8.4953 9.0033 9.0033 9.4480 9.4480 9.4878 9.4878 13.6090 13.6090 14.1399 14.1399 14.2006 14.2006 14.2734 14.2734 k = 0.3551 0.3551 0.3551 ( 2359 PWs) bands (ev): -45.4542 -45.4542 -23.1295 -23.1295 -21.0833 -21.0833 -21.0828 -21.0828 -6.8917 -6.8917 -6.7436 -6.7436 -6.6900 -6.6900 4.3785 4.3785 4.4117 4.4117 4.5666 4.5666 4.8486 4.8486 4.8517 4.8517 5.3603 5.3603 7.6402 7.6402 7.6970 7.6970 8.2422 8.2422 8.2484 8.2484 8.4941 8.4941 9.0247 9.0247 9.4414 9.4414 9.4800 9.4800 13.6368 13.6368 14.1935 14.1935 14.2153 14.2153 14.2974 14.2974 k = 0.3623 0.3623 0.3623 ( 2359 PWs) bands (ev): -45.4540 -45.4540 -23.1314 -23.1314 -21.0861 -21.0861 -21.0857 -21.0857 -6.8656 -6.8656 -6.7190 -6.7190 -6.6679 -6.6679 4.3246 4.3246 4.3544 4.3544 4.5526 4.5526 4.8117 4.8117 4.8150 4.8150 5.3058 5.3058 7.6564 7.6564 7.7142 7.7142 8.2420 8.2420 8.2618 8.2618 8.4928 8.4928 9.0455 9.0455 9.4335 9.4335 9.4709 9.4709 13.6459 13.6459 14.2228 14.2228 14.2450 14.2450 14.3422 14.3422 k = 0.3696 0.3696 0.3696 ( 2365 PWs) bands (ev): -45.4540 -45.4540 -23.1333 -23.1333 -21.0888 -21.0888 -21.0884 -21.0884 -6.8407 -6.8407 -6.6948 -6.6948 -6.6466 -6.6466 4.2727 4.2727 4.2993 4.2993 4.5404 4.5404 4.7768 4.7768 4.7802 4.7802 5.2535 5.2535 7.6724 7.6724 7.7307 7.7307 8.2419 8.2419 8.2756 8.2756 8.4914 8.4914 9.0655 9.0655 9.4246 9.4246 9.4607 9.4607 13.6366 13.6366 14.2409 14.2409 14.2946 14.2946 14.3902 14.3902 k = 0.3768 0.3768 0.3768 ( 2365 PWs) bands (ev): -45.4538 -45.4538 -23.1350 -23.1350 -21.0914 -21.0914 -21.0910 -21.0910 -6.8172 -6.8172 -6.6710 -6.6710 -6.6260 -6.6260 4.2228 4.2228 4.2464 4.2464 4.5298 4.5298 4.7438 4.7438 4.7474 4.7474 5.2034 5.2034 7.6881 7.6881 7.7464 7.7464 8.2423 8.2423 8.2896 8.2896 8.4901 8.4901 9.0848 9.0848 9.4147 9.4147 9.4494 9.4494 13.6121 13.6121 14.2706 14.2706 14.3421 14.3421 14.4378 14.4378 k = 0.3841 0.3841 0.3841 ( 2365 PWs) bands (ev): -45.4537 -45.4537 -23.1367 -23.1367 -21.0938 -21.0938 -21.0935 -21.0935 -6.7951 -6.7951 -6.6479 -6.6479 -6.6063 -6.6063 4.1751 4.1751 4.1960 4.1960 4.5205 4.5205 4.7128 4.7128 4.7165 4.7165 5.1557 5.1557 7.7034 7.7034 7.7612 7.7612 8.2432 8.2432 8.3038 8.3038 8.4889 8.4889 9.1033 9.1033 9.4040 9.4040 9.4373 9.4373 13.5767 13.5767 14.3086 14.3086 14.3874 14.3874 14.4839 14.4839 k = 0.3913 0.3913 0.3913 ( 2365 PWs) bands (ev): -45.4536 -45.4536 -23.1383 -23.1383 -21.0961 -21.0961 -21.0958 -21.0958 -6.7743 -6.7743 -6.6254 -6.6254 -6.5874 -6.5874 4.1298 4.1298 4.1482 4.1482 4.5126 4.5126 4.6837 4.6837 4.6875 4.6875 5.1105 5.1105 7.7182 7.7182 7.7748 7.7748 8.2449 8.2449 8.3182 8.3182 8.4876 8.4876 9.1210 9.1210 9.3926 9.3926 9.4244 9.4244 13.5348 13.5348 14.3516 14.3516 14.4305 14.4305 14.5282 14.5282 k = 0.3986 0.3986 0.3986 ( 2359 PWs) bands (ev): -45.4533 -45.4533 -23.1398 -23.1398 -21.0983 -21.0983 -21.0980 -21.0980 -6.7548 -6.7548 -6.6037 -6.6037 -6.5695 -6.5695 4.0870 4.0870 4.1029 4.1029 4.5059 4.5059 4.6566 4.6566 4.6604 4.6604 5.0679 5.0679 7.7324 7.7324 7.7871 7.7871 8.2474 8.2474 8.3329 8.3329 8.4865 8.4865 9.1377 9.1377 9.3805 9.3805 9.4108 9.4108 13.4894 13.4894 14.3966 14.3966 14.4713 14.4713 14.5705 14.5705 k = 0.4058 0.4058 0.4058 ( 2359 PWs) bands (ev): -45.4532 -45.4532 -23.1412 -23.1412 -21.1004 -21.1004 -21.1001 -21.1001 -6.7367 -6.7367 -6.5830 -6.5830 -6.5526 -6.5526 4.0466 4.0466 4.0604 4.0604 4.5001 4.5001 4.6313 4.6313 4.6352 4.6352 5.0280 5.0280 7.7458 7.7458 7.7978 7.7978 8.2508 8.2508 8.3476 8.3476 8.4855 8.4855 9.1535 9.1535 9.3681 9.3681 9.3967 9.3967 13.4427 13.4427 14.4419 14.4419 14.5097 14.5097 14.6107 14.6107 k = 0.4130 0.4130 0.4130 ( 2356 PWs) bands (ev): -45.4531 -45.4531 -23.1425 -23.1425 -21.1023 -21.1023 -21.1021 -21.1021 -6.7200 -6.7200 -6.5633 -6.5633 -6.5367 -6.5367 4.0090 4.0090 4.0207 4.0207 4.4953 4.4953 4.6079 4.6079 4.6118 4.6118 4.9908 4.9908 7.7586 7.7586 7.8071 7.8071 8.2552 8.2552 8.3623 8.3623 8.4845 8.4845 9.1682 9.1682 9.3553 9.3553 9.3823 9.3823 13.3964 13.3964 14.4860 14.4860 14.5457 14.5457 14.6486 14.6486 k = 0.4203 0.4203 0.4203 ( 2356 PWs) bands (ev): -45.4530 -45.4530 -23.1437 -23.1437 -21.1041 -21.1041 -21.1039 -21.1039 -6.7045 -6.7045 -6.5448 -6.5448 -6.5219 -6.5219 3.9741 3.9741 3.9839 3.9839 4.4913 4.4913 4.5864 4.5864 4.5904 4.5904 4.9564 4.9564 7.7705 7.7705 7.8148 7.8148 8.2604 8.2604 8.3769 8.3769 8.4835 8.4835 9.1820 9.1820 9.3425 9.3425 9.3678 9.3678 13.3515 13.3515 14.5280 14.5280 14.5791 14.5791 14.6842 14.6842 k = 0.4275 0.4275 0.4275 ( 2347 PWs) bands (ev): -45.4528 -45.4528 -23.1448 -23.1448 -21.1057 -21.1057 -21.1055 -21.1055 -6.6904 -6.6904 -6.5276 -6.5276 -6.5082 -6.5082 3.9419 3.9419 3.9501 3.9501 4.4880 4.4880 4.5669 4.5669 4.5708 4.5708 4.9249 4.9249 7.7815 7.7815 7.8210 7.8210 8.2666 8.2666 8.3914 8.3914 8.4828 8.4828 9.1946 9.1946 9.3298 9.3298 9.3534 9.3534 13.3089 13.3089 14.5673 14.5673 14.6099 14.6099 14.7173 14.7173 k = 0.4348 0.4348 0.4348 ( 2347 PWs) bands (ev): -45.4527 -45.4527 -23.1458 -23.1458 -21.1072 -21.1072 -21.1071 -21.1071 -6.6777 -6.6777 -6.5117 -6.5117 -6.4957 -6.4957 3.9126 3.9126 3.9193 3.9193 4.4852 4.4852 4.5492 4.5492 4.5531 4.5531 4.8963 4.8963 7.7916 7.7916 7.8257 7.8257 8.2733 8.2733 8.4054 8.4054 8.4820 8.4820 9.2061 9.2061 9.3174 9.3174 9.3392 9.3392 13.2691 13.2691 14.6034 14.6034 14.6380 14.6380 14.7478 14.7478 k = 0.4420 0.4420 0.4420 ( 2347 PWs) bands (ev): -45.4526 -45.4526 -23.1468 -23.1468 -21.1085 -21.1085 -21.1084 -21.1084 -6.6662 -6.6662 -6.4972 -6.4972 -6.4844 -6.4844 3.8863 3.8863 3.8915 3.8915 4.4829 4.4829 4.5333 4.5333 4.5373 4.5373 4.8707 4.8707 7.8006 7.8006 7.8293 7.8293 8.2804 8.2804 8.4187 8.4187 8.4814 8.4814 9.2165 9.2165 9.3056 9.3056 9.3256 9.3256 13.2327 13.2327 14.6361 14.6361 14.6634 14.6634 14.7756 14.7756 k = 0.4493 0.4493 0.4493 ( 2347 PWs) bands (ev): -45.4525 -45.4525 -23.1476 -23.1476 -21.1097 -21.1097 -21.1096 -21.1096 -6.6561 -6.6561 -6.4843 -6.4843 -6.4744 -6.4744 3.8629 3.8629 3.8669 3.8669 4.4810 4.4810 4.5194 4.5194 4.5234 4.5234 4.8482 4.8482 7.8086 7.8086 7.8317 7.8317 8.2877 8.2877 8.4313 8.4313 8.4808 8.4808 9.2255 9.2255 9.2946 9.2946 9.3127 9.3127 13.1999 13.1999 14.6652 14.6652 14.6859 14.6859 14.8005 14.8005 k = 0.4565 0.4565 0.4565 ( 2347 PWs) bands (ev): -45.4525 -45.4525 -23.1483 -23.1483 -21.1108 -21.1108 -21.1107 -21.1107 -6.6474 -6.6474 -6.4730 -6.4730 -6.4656 -6.4656 3.8426 3.8426 3.8455 3.8455 4.4793 4.4793 4.5074 4.5074 4.5113 4.5113 4.8286 4.8286 7.8157 7.8157 7.8333 7.8333 8.2948 8.2948 8.4429 8.4429 8.4803 8.4803 9.2333 9.2333 9.2847 9.2847 9.3008 9.3008 13.1710 13.1710 14.6904 14.6904 14.7056 14.7056 14.8225 14.8225 k = 0.4638 0.4638 0.4638 ( 2341 PWs) bands (ev): -45.4524 -45.4524 -23.1489 -23.1489 -21.1116 -21.1116 -21.1116 -21.1116 -6.6399 -6.6399 -6.4633 -6.4633 -6.4581 -6.4581 3.8253 3.8253 3.8273 3.8273 4.4779 4.4779 4.4973 4.4973 4.5010 4.5010 4.8121 4.8121 7.8216 7.8216 7.8343 7.8343 8.3015 8.3015 8.4533 8.4533 8.4799 8.4799 9.2395 9.2395 9.2762 9.2762 9.2902 9.2902 13.1463 13.1463 14.7119 14.7119 14.7224 14.7224 14.8413 14.8413 k = 0.4710 0.4710 0.4710 ( 2329 PWs) bands (ev): -45.4521 -45.4521 -23.1494 -23.1494 -21.1123 -21.1123 -21.1123 -21.1123 -6.6338 -6.6338 -6.4553 -6.4553 -6.4520 -6.4520 3.8111 3.8111 3.8124 3.8124 4.4766 4.4766 4.4892 4.4892 4.4927 4.4927 4.7987 4.7987 7.8266 7.8266 7.8349 7.8349 8.3075 8.3075 8.4623 8.4623 8.4796 8.4796 9.2439 9.2439 9.2696 9.2696 9.2811 9.2811 13.1259 13.1259 14.7294 14.7294 14.7362 14.7362 14.8569 14.8569 k = 0.4783 0.4783 0.4783 ( 2320 PWs) bands (ev): -45.4520 -45.4520 -23.1497 -23.1497 -21.1129 -21.1129 -21.1129 -21.1129 -6.6291 -6.6291 -6.4491 -6.4491 -6.4472 -6.4472 3.8000 3.8000 3.8008 3.8008 4.4753 4.4753 4.4833 4.4833 4.4861 4.4861 4.7883 4.7883 7.8303 7.8303 7.8352 7.8352 8.3125 8.3125 8.4695 8.4695 8.4794 8.4794 9.2461 9.2461 9.2655 9.2655 9.2738 9.2738 13.1099 13.1099 14.7432 14.7432 14.7469 14.7469 14.8692 14.8692 k = 0.4855 0.4855 0.4855 ( 2320 PWs) bands (ev): -45.4520 -45.4520 -23.1500 -23.1500 -21.1133 -21.1133 -21.1133 -21.1133 -6.6257 -6.6257 -6.4446 -6.4446 -6.4438 -6.4438 3.7921 3.7921 3.7925 3.7925 4.4736 4.4736 4.4797 4.4797 4.4815 4.4815 4.7808 4.7808 7.8330 7.8330 7.8352 7.8352 8.3162 8.3162 8.4748 8.4748 8.4792 8.4792 9.2462 9.2462 9.2640 9.2640 9.2683 9.2683 13.0985 13.0985 14.7530 14.7530 14.7546 14.7546 14.8780 14.8780 k = 0.4928 0.4928 0.4928 ( 2320 PWs) bands (ev): -45.4519 -45.4519 -23.1502 -23.1502 -21.1135 -21.1135 -21.1135 -21.1135 -6.6237 -6.6237 -6.4419 -6.4419 -6.4417 -6.4417 3.7874 3.7874 3.7875 3.7875 4.4720 4.4720 4.4782 4.4782 4.4787 4.4787 4.7764 4.7764 7.8347 7.8347 7.8352 7.8352 8.3184 8.3184 8.4780 8.4780 8.4791 8.4791 9.2455 9.2455 9.2638 9.2638 9.2650 9.2650 13.0915 13.0915 14.7588 14.7588 14.7592 14.7592 14.8833 14.8833 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -45.4519 -45.4519 -23.1502 -23.1502 -21.1136 -21.1136 -21.1136 -21.1136 -6.6230 -6.6230 -6.4410 -6.4410 -6.4410 -6.4410 3.7858 3.7858 3.7858 3.7858 4.4714 4.4714 4.4778 4.4778 4.4778 4.4778 4.7749 4.7749 7.8352 7.8352 7.8352 7.8352 8.3192 8.3192 8.4791 8.4791 8.4791 8.4791 9.2451 9.2451 9.2639 9.2639 9.2639 9.2639 13.0892 13.0892 14.7608 14.7608 14.7608 14.7608 14.8851 14.8851 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -45.4519 -45.4519 -23.1502 -23.1502 -21.1136 -21.1136 -21.1136 -21.1136 -6.6230 -6.6230 -6.4410 -6.4410 -6.4410 -6.4410 3.7858 3.7858 3.7858 3.7858 4.4714 4.4714 4.4778 4.4778 4.4778 4.4778 4.7749 4.7749 7.8352 7.8352 7.8352 7.8352 8.3192 8.3192 8.4791 8.4791 8.4791 8.4791 9.2451 9.2451 9.2639 9.2639 9.2639 9.2639 13.0892 13.0892 14.7608 14.7608 14.7608 14.7608 14.8851 14.8851 k = 0.4912 0.5000 0.4912 ( 2320 PWs) bands (ev): -45.4519 -45.4519 -23.1502 -23.1502 -21.1136 -21.1136 -21.1135 -21.1135 -6.6236 -6.6236 -6.4422 -6.4422 -6.4414 -6.4414 3.7866 3.7866 3.7882 3.7882 4.4720 4.4720 4.4780 4.4780 4.4789 4.4789 4.7764 4.7764 7.8347 7.8347 7.8352 7.8352 8.3184 8.3184 8.4781 8.4781 8.4791 8.4791 9.2455 9.2455 9.2639 9.2639 9.2650 9.2650 13.0915 13.0915 14.7586 14.7586 14.7595 14.7595 14.8834 14.8834 k = 0.4825 0.5000 0.4825 ( 2320 PWs) bands (ev): -45.4520 -45.4520 -23.1500 -23.1500 -21.1135 -21.1135 -21.1131 -21.1131 -6.6257 -6.6257 -6.4456 -6.4456 -6.4425 -6.4425 3.7889 3.7889 3.7954 3.7954 4.4731 4.4731 4.4792 4.4792 4.4824 4.4824 4.7807 4.7807 7.8332 7.8332 7.8351 7.8351 8.3162 8.3162 8.4752 8.4752 8.4790 8.4790 9.2464 9.2464 9.2638 9.2638 9.2682 9.2682 13.0982 13.0982 14.7519 14.7519 14.7559 14.7559 14.8782 14.8782 k = 0.4737 0.5000 0.4737 ( 2320 PWs) bands (ev): -45.4520 -45.4520 -23.1497 -23.1497 -21.1133 -21.1133 -21.1125 -21.1125 -6.6290 -6.6290 -6.4514 -6.4514 -6.4444 -6.4444 3.7927 3.7927 3.8073 3.8073 4.4736 4.4736 4.4821 4.4821 4.4887 4.4887 4.7881 4.7881 7.8307 7.8307 7.8350 7.8350 8.3126 8.3126 8.4703 8.4703 8.4788 8.4788 9.2473 9.2473 9.2640 9.2640 9.2739 9.2739 13.1095 13.1095 14.7408 14.7408 14.7498 14.7498 14.8699 14.8699 k = 0.4649 0.5000 0.4649 ( 2332 PWs) bands (ev): -45.4522 -45.4522 -23.1494 -23.1494 -21.1131 -21.1131 -21.1116 -21.1116 -6.6339 -6.6339 -6.4595 -6.4595 -6.4469 -6.4469 3.7979 3.7979 3.8240 3.8240 4.4733 4.4733 4.4867 4.4867 4.4978 4.4978 4.7984 4.7984 7.8270 7.8270 7.8346 7.8346 8.3076 8.3076 8.4637 8.4637 8.4785 8.4785 9.2475 9.2475 9.2648 9.2648 9.2819 9.2819 13.1251 13.1251 14.7250 14.7250 14.7413 14.7413 14.8585 14.8585 k = 0.4561 0.5000 0.4561 ( 2340 PWs) bands (ev): -45.4523 -45.4523 -23.1489 -23.1489 -21.1127 -21.1127 -21.1105 -21.1105 -6.6402 -6.6402 -6.4697 -6.4697 -6.4499 -6.4499 3.8044 3.8044 3.8454 3.8454 4.4727 4.4727 4.4927 4.4927 4.5096 4.5096 4.8120 4.8120 7.8223 7.8223 7.8341 7.8341 8.3015 8.3015 8.4555 8.4555 8.4782 8.4782 9.2466 9.2466 9.2665 9.2665 9.2922 9.2922 13.1451 13.1451 14.7045 14.7045 14.7302 14.7302 14.8445 14.8445 k = 0.4474 0.5000 0.4474 ( 2348 PWs) bands (ev): -45.4525 -45.4525 -23.1483 -23.1483 -21.1124 -21.1124 -21.1092 -21.1092 -6.6482 -6.6482 -6.4821 -6.4821 -6.4534 -6.4534 3.8120 3.8120 3.8714 3.8714 4.4720 4.4720 4.5002 4.5002 4.5241 4.5241 4.8289 4.8289 7.8165 7.8165 7.8333 7.8333 8.2945 8.2945 8.4459 8.4459 8.4779 8.4779 9.2447 9.2447 9.2691 9.2691 9.3044 9.3044 13.1693 13.1693 14.6792 14.6792 14.7167 14.7167 14.8283 14.8283 k = 0.4386 0.5000 0.4386 ( 2346 PWs) bands (ev): -45.4525 -45.4525 -23.1477 -23.1477 -21.1119 -21.1119 -21.1076 -21.1076 -6.6579 -6.6579 -6.4965 -6.4965 -6.4572 -6.4572 3.8206 3.8206 3.9020 3.9020 4.4712 4.4712 4.5091 4.5091 4.5410 4.5410 4.8493 4.8493 7.8097 7.8097 7.8321 7.8321 8.2869 8.2869 8.4352 8.4352 8.4776 8.4776 9.2418 9.2418 9.2725 9.2725 9.3179 9.3179 13.1975 13.1975 14.6490 14.6490 14.7007 14.7007 14.8102 14.8102 k = 0.4298 0.5000 0.4298 ( 2348 PWs) bands (ev): -45.4526 -45.4526 -23.1469 -23.1469 -21.1114 -21.1114 -21.1058 -21.1058 -6.6695 -6.6695 -6.5129 -6.5129 -6.4611 -6.4611 3.8299 3.8299 3.9372 3.9372 4.4705 4.4705 4.5193 4.5193 4.5603 4.5603 4.8733 4.8733 7.8016 7.8016 7.8303 7.8303 8.2790 8.2790 8.4235 8.4235 8.4772 8.4772 9.2383 9.2383 9.2765 9.2765 9.3325 9.3325 13.2297 13.2297 14.6139 14.6139 14.6823 14.6823 14.7907 14.7907 k = 0.4211 0.5000 0.4211 ( 2348 PWs) bands (ev): -45.4527 -45.4527 -23.1460 -23.1460 -21.1109 -21.1109 -21.1038 -21.1038 -6.6829 -6.6829 -6.5311 -6.5311 -6.4651 -6.4651 3.8398 3.8398 3.9767 3.9767 4.4700 4.4700 4.5309 4.5309 4.5819 4.5819 4.9012 4.9012 7.7923 7.7923 7.8278 7.8278 8.2708 8.2708 8.4110 8.4110 8.4769 8.4769 9.2342 9.2342 9.2809 9.2809 9.3477 9.3477 13.2657 13.2657 14.5739 14.5739 14.6615 14.6615 14.7699 14.7699 k = 0.4123 0.5000 0.4123 ( 2356 PWs) bands (ev): -45.4529 -45.4529 -23.1450 -23.1450 -21.1102 -21.1102 -21.1015 -21.1015 -6.6983 -6.6983 -6.5511 -6.5511 -6.4691 -6.4691 3.8501 3.8501 4.0205 4.0205 4.4698 4.4698 4.5438 4.5438 4.6056 4.6056 4.9331 4.9331 7.7816 7.7816 7.8244 7.8244 8.2628 8.2628 8.3978 8.3978 8.4766 8.4766 9.2296 9.2296 9.2858 9.2858 9.3630 9.3630 13.3050 13.3050 14.5291 14.5291 14.6386 14.6386 14.7480 14.7480 k = 0.4035 0.5000 0.4035 ( 2354 PWs) bands (ev): -45.4529 -45.4529 -23.1439 -23.1439 -21.1095 -21.1095 -21.0990 -21.0990 -6.7156 -6.7156 -6.5726 -6.5726 -6.4729 -6.4729 3.8606 3.8606 4.0686 4.0686 4.4700 4.4700 4.5581 4.5581 4.6314 4.6314 4.9692 4.9692 7.7697 7.7697 7.8199 7.8199 8.2553 8.2553 8.3841 8.3841 8.4764 8.4764 9.2246 9.2246 9.2909 9.2909 9.3781 9.3781 13.3475 13.3475 14.4799 14.4799 14.6139 14.6139 14.7253 14.7253 k = 0.3947 0.5000 0.3947 ( 2354 PWs) bands (ev): -45.4530 -45.4530 -23.1428 -23.1428 -21.1088 -21.1088 -21.0963 -21.0963 -6.7350 -6.7350 -6.5956 -6.5956 -6.4767 -6.4767 3.8711 3.8711 4.1208 4.1208 4.4707 4.4707 4.5737 4.5737 4.6592 4.6592 5.0095 5.0095 7.7564 7.7564 7.8143 7.8143 8.2483 8.2483 8.3699 8.3699 8.4763 8.4763 9.2194 9.2194 9.2964 9.2964 9.3926 9.3926 13.3928 13.3928 14.4262 14.4262 14.5875 14.5875 14.7017 14.7017 k = 0.3860 0.5000 0.3860 ( 2354 PWs) bands (ev): -45.4531 -45.4531 -23.1415 -23.1415 -21.1079 -21.1079 -21.0935 -21.0935 -6.7563 -6.7563 -6.6199 -6.6199 -6.4802 -6.4802 3.8814 3.8814 4.1769 4.1769 4.4721 4.4721 4.5907 4.5907 4.6888 4.6888 5.0541 5.0541 7.7417 7.7417 7.8075 7.8075 8.2421 8.2421 8.3555 8.3555 8.4764 8.4764 9.2140 9.2140 9.3019 9.3019 9.4062 9.4062 13.4403 13.4403 14.3685 14.3685 14.5601 14.5601 14.6774 14.6774 k = 0.3772 0.5000 0.3772 ( 2362 PWs) bands (ev): -45.4534 -45.4534 -23.1402 -23.1402 -21.1071 -21.1071 -21.0904 -21.0904 -6.7796 -6.7796 -6.6453 -6.6453 -6.4836 -6.4836 3.8915 3.8915 4.2368 4.2368 4.4743 4.4743 4.6090 4.6090 4.7203 4.7203 5.1030 5.1030 7.7256 7.7256 7.7993 7.7993 8.2367 8.2367 8.3407 8.3407 8.4766 8.4766 9.2085 9.2085 9.3077 9.3077 9.4184 9.4184 13.4896 13.4896 14.3069 14.3069 14.5322 14.5322 14.6524 14.6524 k = 0.3684 0.5000 0.3684 ( 2362 PWs) bands (ev): -45.4535 -45.4535 -23.1388 -23.1388 -21.1062 -21.1062 -21.0871 -21.0871 -6.8047 -6.8047 -6.6718 -6.6718 -6.4868 -6.4868 3.9013 3.9013 4.3003 4.3003 4.4775 4.4775 4.6287 4.6287 4.7536 4.7536 5.1562 5.1562 7.7081 7.7081 7.7898 7.7898 8.2323 8.2323 8.3256 8.3256 8.4773 8.4773 9.2030 9.2030 9.3135 9.3135 9.4290 9.4290 13.5398 13.5398 14.2418 14.2418 14.5043 14.5043 14.6266 14.6266 k = 0.3596 0.5000 0.3596 ( 2366 PWs) bands (ev): -45.4536 -45.4536 -23.1373 -23.1373 -21.1052 -21.1052 -21.0837 -21.0837 -6.8315 -6.8315 -6.6991 -6.6991 -6.4898 -6.4898 3.9106 3.9106 4.3673 4.3673 4.4817 4.4817 4.6496 4.6496 4.7887 4.7887 5.2137 5.2137 7.6893 7.6893 7.7791 7.7791 8.2287 8.2287 8.3102 8.3102 8.4784 8.4784 9.1976 9.1976 9.3194 9.3194 9.4377 9.4377 13.5901 13.5901 14.1733 14.1733 14.4773 14.4773 14.6002 14.6002 k = 0.3509 0.5000 0.3509 ( 2366 PWs) bands (ev): -45.4538 -45.4538 -23.1358 -23.1358 -21.1042 -21.1042 -21.0801 -21.0801 -6.8601 -6.8601 -6.7271 -6.7271 -6.4927 -6.4927 3.9193 3.9193 4.4372 4.4372 4.4875 4.4875 4.6719 4.6719 4.8255 4.8255 5.2752 5.2752 7.6691 7.6691 7.7671 7.7671 8.2260 8.2260 8.2944 8.2944 8.4801 8.4801 9.1923 9.1923 9.3254 9.3254 9.4442 9.4442 13.6394 13.6394 14.1018 14.1018 14.4522 14.4522 14.5732 14.5732 k = 0.3421 0.5000 0.3421 ( 2368 PWs) bands (ev): -45.4539 -45.4539 -23.1342 -23.1342 -21.1031 -21.1031 -21.0763 -21.0763 -6.8902 -6.8902 -6.7558 -6.7558 -6.4955 -6.4955 3.9276 3.9276 4.4904 4.4904 4.5143 4.5143 4.6956 4.6956 4.8640 4.8640 5.3406 5.3406 7.6476 7.6476 7.7540 7.7540 8.2238 8.2238 8.2780 8.2780 8.4826 8.4826 9.1873 9.1873 9.3313 9.3313 9.4483 9.4483 13.6861 13.6861 14.0277 14.0277 14.4300 14.4300 14.5459 14.5459 k = 0.3333 0.5000 0.3333 ( 2364 PWs) bands (ev): -45.4540 -45.4540 -23.1325 -23.1325 -21.1020 -21.1020 -21.0724 -21.0724 -6.9217 -6.9217 -6.7849 -6.7849 -6.4981 -6.4981 3.9352 3.9352 4.5002 4.5002 4.5890 4.5890 4.7205 4.7205 4.9042 4.9042 5.4098 5.4098 7.6251 7.6251 7.7400 7.7400 8.2222 8.2222 8.2610 8.2610 8.4861 8.4861 9.1826 9.1826 9.3372 9.3372 9.4498 9.4498 13.7284 13.7284 13.9514 13.9514 14.4121 14.4121 14.5184 14.5184 k = 0.3246 0.5000 0.3246 ( 2364 PWs) bands (ev): -45.4541 -45.4541 -23.1308 -23.1308 -21.1008 -21.1008 -21.0684 -21.0684 -6.9544 -6.9544 -6.8145 -6.8145 -6.5007 -6.5007 3.9423 3.9423 4.5098 4.5098 4.6680 4.6680 4.7468 4.7468 4.9460 4.9460 5.4826 5.4826 7.6016 7.6016 7.7249 7.7249 8.2209 8.2209 8.2431 8.2431 8.4906 8.4906 9.1783 9.1783 9.3431 9.3431 9.4483 9.4483 13.7630 13.7630 13.8744 13.8744 14.3996 14.3996 14.4914 14.4914 k = 0.3158 0.5000 0.3158 ( 2360 PWs) bands (ev): -45.4542 -45.4542 -23.1290 -23.1290 -21.0996 -21.0996 -21.0642 -21.0642 -6.9883 -6.9883 -6.8444 -6.8444 -6.5032 -6.5032 3.9488 3.9488 4.5208 4.5208 4.7490 4.7490 4.7750 4.7750 4.9895 4.9895 5.5587 5.5587 7.5773 7.5773 7.7091 7.7091 8.2190 8.2190 8.2250 8.2250 8.4965 8.4965 9.1745 9.1745 9.3490 9.3490 9.4440 9.4440 13.7689 13.7689 13.8164 13.8164 14.3923 14.3923 14.4665 14.4665 k = 0.3070 0.5000 0.3070 ( 2368 PWs) bands (ev): -45.4545 -45.4545 -23.1272 -23.1272 -21.0984 -21.0984 -21.0600 -21.0600 -7.0232 -7.0232 -6.8744 -6.8744 -6.5056 -6.5056 3.9547 3.9547 4.5335 4.5335 4.8020 4.8020 4.8347 4.8347 5.0346 5.0346 5.6379 5.6379 7.5523 7.5523 7.6924 7.6924 8.2030 8.2030 8.2195 8.2195 8.5036 8.5036 9.1711 9.1711 9.3547 9.3547 9.4365 9.4365 13.6994 13.6994 13.8227 13.8227 14.3864 14.3864 14.4489 14.4489 k = 0.2982 0.5000 0.2982 ( 2372 PWs) bands (ev): -45.4547 -45.4547 -23.1254 -23.1254 -21.0972 -21.0972 -21.0556 -21.0556 -7.0588 -7.0588 -6.9047 -6.9047 -6.5080 -6.5080 3.9601 3.9601 4.5480 4.5480 4.8325 4.8325 4.9199 4.9199 5.0814 5.0814 5.7200 5.7200 7.5271 7.5271 7.6751 7.6751 8.1814 8.1814 8.2183 8.2183 8.5122 8.5122 9.1682 9.1682 9.3603 9.3603 9.4258 9.4258 13.6161 13.6161 13.8317 13.8317 14.3723 14.3723 14.4482 14.4482 k = 0.2895 0.5000 0.2895 ( 2360 PWs) bands (ev): -45.4546 -45.4546 -23.1235 -23.1235 -21.0959 -21.0959 -21.0512 -21.0512 -7.0950 -7.0950 -6.9350 -6.9350 -6.5103 -6.5103 3.9650 3.9650 4.5644 4.5644 4.8639 4.8639 5.0067 5.0067 5.1303 5.1303 5.8048 5.8048 7.5018 7.5018 7.6573 7.6573 8.1580 8.1580 8.2172 8.2172 8.5224 8.5224 9.1656 9.1656 9.3657 9.3657 9.4124 9.4124 13.5300 13.5300 13.8332 13.8332 14.3487 14.3487 14.4650 14.4650 k = 0.2807 0.5000 0.2807 ( 2362 PWs) bands (ev): -45.4548 -45.4548 -23.1216 -23.1216 -21.0946 -21.0946 -21.0467 -21.0467 -7.1318 -7.1318 -6.9653 -6.9653 -6.5127 -6.5127 3.9695 3.9695 4.5828 4.5828 4.8965 4.8965 5.0935 5.0935 5.1819 5.1819 5.8919 5.8919 7.4766 7.4766 7.6389 7.6389 8.1328 8.1328 8.2160 8.2160 8.5338 8.5338 9.1634 9.1634 9.3702 9.3702 9.3967 9.3967 13.4422 13.4422 13.8277 13.8277 14.3207 14.3207 14.4922 14.4922 k = 0.2719 0.5000 0.2719 ( 2362 PWs) bands (ev): -45.4550 -45.4550 -23.1197 -23.1197 -21.0932 -21.0932 -21.0421 -21.0421 -7.1689 -7.1689 -6.9955 -6.9955 -6.5150 -6.5150 3.9736 3.9736 4.6032 4.6032 4.9303 4.9303 5.1771 5.1771 5.2390 5.2390 5.9812 5.9812 7.4518 7.4518 7.6200 7.6200 8.1056 8.1056 8.2146 8.2146 8.5467 8.5467 9.1611 9.1611 9.3687 9.3687 9.3842 9.3842 13.3532 13.3532 13.8169 13.8169 14.2909 14.2909 14.5249 14.5249 k = 0.2632 0.5000 0.2632 ( 2366 PWs) bands (ev): -45.4552 -45.4552 -23.1178 -23.1178 -21.0919 -21.0919 -21.0375 -21.0375 -7.2062 -7.2062 -7.0256 -7.0256 -6.5173 -6.5173 3.9772 3.9772 4.6257 4.6257 4.9653 4.9653 5.2503 5.2503 5.3084 5.3084 6.0724 6.0724 7.4278 7.4278 7.6006 7.6006 8.0765 8.0765 8.2132 8.2132 8.5607 8.5607 9.1584 9.1584 9.3513 9.3513 9.3855 9.3855 13.2632 13.2632 13.8023 13.8023 14.2603 14.2603 14.5604 14.5604 k = 0.2544 0.5000 0.2544 ( 2360 PWs) bands (ev): -45.4553 -45.4553 -23.1158 -23.1158 -21.0905 -21.0905 -21.0328 -21.0328 -7.2435 -7.2435 -7.0555 -7.0555 -6.5196 -6.5196 3.9806 3.9806 4.6504 4.6504 5.0015 5.0015 5.3113 5.3113 5.3913 5.3913 6.1653 6.1653 7.4049 7.4049 7.5808 7.5808 8.0454 8.0454 8.2117 8.2117 8.5759 8.5759 9.1547 9.1547 9.3291 9.3291 9.3901 9.3901 13.1724 13.1724 13.7855 13.7855 14.2294 14.2294 14.5964 14.5964 k = 0.2456 0.5000 0.2456 ( 2360 PWs) bands (ev): -45.4554 -45.4554 -23.1139 -23.1139 -21.0892 -21.0892 -21.0281 -21.0281 -7.2807 -7.2807 -7.0850 -7.0850 -6.5219 -6.5219 3.9836 3.9836 4.6774 4.6774 5.0389 5.0389 5.3671 5.3671 5.4800 5.4800 6.2595 6.2595 7.3835 7.3835 7.5605 7.5605 8.0122 8.0122 8.2101 8.2101 8.5920 8.5920 9.1486 9.1486 9.3064 9.3064 9.3951 9.3951 13.0810 13.0810 13.7676 13.7676 14.1983 14.1983 14.6313 14.6313 k = 0.2368 0.5000 0.2368 ( 2352 PWs) bands (ev): -45.4554 -45.4554 -23.1119 -23.1119 -21.0878 -21.0878 -21.0235 -21.0235 -7.3177 -7.3177 -7.1143 -7.1143 -6.5243 -6.5243 3.9863 3.9863 4.7067 4.7067 5.0774 5.0774 5.4215 5.4215 5.5703 5.5703 6.3549 6.3549 7.3641 7.3641 7.5397 7.5397 7.9771 7.9771 8.2086 8.2086 8.6088 8.6088 9.1384 9.1384 9.2856 9.2856 9.4003 9.4003 12.9891 12.9891 13.7494 13.7494 14.1672 14.1672 14.6639 14.6639 k = 0.2281 0.5000 0.2281 ( 2352 PWs) bands (ev): -45.4556 -45.4556 -23.1100 -23.1100 -21.0864 -21.0864 -21.0188 -21.0188 -7.3544 -7.3544 -7.1431 -7.1431 -6.5266 -6.5266 3.9888 3.9888 4.7382 4.7382 5.1172 5.1172 5.4754 5.4754 5.6603 5.6603 6.4511 6.4511 7.3470 7.3470 7.5183 7.5183 7.9399 7.9399 8.2072 8.2072 8.6258 8.6258 9.1224 9.1224 9.2690 9.2690 9.4054 9.4054 12.8968 12.8968 13.7315 13.7315 14.1363 14.1363 14.6934 14.6934 k = 0.2193 0.5000 0.2193 ( 2352 PWs) bands (ev): -45.4558 -45.4558 -23.1081 -23.1081 -21.0851 -21.0851 -21.0142 -21.0142 -7.3906 -7.3906 -7.1714 -7.1714 -6.5288 -6.5288 3.9911 3.9911 4.7722 4.7722 5.1580 5.1580 5.5291 5.5291 5.7489 5.7489 6.5479 6.5479 7.3328 7.3328 7.4963 7.4963 7.9009 7.9009 8.2057 8.2057 8.6427 8.6427 9.0996 9.0996 9.2582 9.2582 9.4106 9.4106 12.8044 12.8044 13.7144 13.7144 14.1057 14.1057 14.7193 14.7193 k = 0.2105 0.5000 0.2105 ( 2356 PWs) bands (ev): -45.4560 -45.4560 -23.1062 -23.1062 -21.0837 -21.0837 -21.0096 -21.0096 -7.4262 -7.4262 -7.1991 -7.1991 -6.5311 -6.5311 3.9931 3.9931 4.8085 4.8085 5.2000 5.2000 5.5826 5.5826 5.8351 5.8351 6.6449 6.6449 7.3222 7.3222 7.4737 7.4737 7.8599 7.8599 8.2044 8.2044 8.6586 8.6586 9.0711 9.0711 9.2528 9.2528 9.4156 9.4156 12.7120 12.7120 13.6985 13.6985 14.0753 14.0753 14.7413 14.7413 k = 0.2018 0.5000 0.2018 ( 2356 PWs) bands (ev): -45.4561 -45.4561 -23.1043 -23.1043 -21.0824 -21.0824 -21.0051 -21.0051 -7.4611 -7.4611 -7.2263 -7.2263 -6.5334 -6.5334 3.9950 3.9950 4.8472 4.8472 5.2430 5.2430 5.6358 5.6358 5.9181 5.9181 6.7418 6.7418 7.3155 7.3155 7.4506 7.4506 7.8172 7.8172 8.2031 8.2031 8.6724 8.6724 9.0397 9.0397 9.2516 9.2516 9.4207 9.4207 12.6196 12.6196 13.6837 13.6837 14.0454 14.0454 14.7590 14.7590 k = 0.1930 0.5000 0.1930 ( 2360 PWs) bands (ev): -45.4563 -45.4563 -23.1025 -23.1025 -21.0811 -21.0811 -21.0006 -21.0006 -7.4953 -7.4953 -7.2527 -7.2527 -6.5357 -6.5357 3.9967 3.9967 4.8884 4.8884 5.2871 5.2871 5.6886 5.6886 5.9968 5.9968 6.8383 6.8383 7.3134 7.3134 7.4273 7.4273 7.7728 7.7728 8.2020 8.2020 8.6824 8.6824 9.0088 9.0088 9.2533 9.2533 9.4257 9.4257 12.5275 12.5275 13.6705 13.6705 14.0161 14.0161 14.7727 14.7727 k = 0.1842 0.5000 0.1842 ( 2360 PWs) bands (ev): -45.4565 -45.4565 -23.1007 -23.1007 -21.0798 -21.0798 -20.9962 -20.9962 -7.5286 -7.5286 -7.2784 -7.2784 -6.5379 -6.5379 3.9983 3.9983 4.9319 4.9319 5.3323 5.3323 5.7407 5.7407 6.0702 6.0702 6.9340 6.9340 7.3157 7.3157 7.4044 7.4044 7.7270 7.7270 8.2011 8.2011 8.6858 8.6858 8.9821 8.9821 9.2571 9.2571 9.4307 9.4307 12.4357 12.4357 13.6587 13.6587 13.9874 13.9874 14.7823 14.7823 k = 0.1754 0.5000 0.1754 ( 2350 PWs) bands (ev): -45.4564 -45.4564 -23.0990 -23.0990 -21.0785 -21.0785 -20.9919 -20.9919 -7.5610 -7.5610 -7.3033 -7.3033 -6.5401 -6.5401 3.9998 3.9998 4.9778 4.9778 5.3785 5.3785 5.7921 5.7921 6.1373 6.1373 7.0284 7.0284 7.3195 7.3195 7.3855 7.3855 7.6798 7.6798 8.2004 8.2004 8.6797 8.6797 8.9640 8.9640 9.2621 9.2621 9.4357 9.4357 12.3444 12.3444 13.6484 13.6484 13.9594 13.9594 14.7882 14.7882 k = 0.1667 0.5000 0.1667 ( 2350 PWs) bands (ev): -45.4566 -45.4566 -23.0973 -23.0973 -21.0773 -21.0773 -20.9878 -20.9878 -7.5922 -7.5922 -7.3274 -7.3274 -6.5422 -6.5422 4.0012 4.0012 5.0261 5.0261 5.4256 5.4256 5.8426 5.8426 6.1973 6.1973 7.1209 7.1209 7.3149 7.3149 7.3809 7.3809 7.6316 7.6316 8.1998 8.1998 8.6618 8.6618 8.9570 8.9570 9.2681 9.2681 9.4406 9.4406 12.2538 12.2538 13.6396 13.6396 13.9321 13.9321 14.7907 14.7907 k = 0.1579 0.5000 0.1579 ( 2350 PWs) bands (ev): -45.4567 -45.4567 -23.0956 -23.0956 -21.0760 -21.0760 -20.9837 -20.9837 -7.6224 -7.6224 -7.3505 -7.3505 -6.5444 -6.5444 4.0025 4.0025 5.0767 5.0767 5.4737 5.4737 5.8918 5.8918 6.2494 6.2494 7.2106 7.2106 7.2949 7.2949 7.3973 7.3973 7.5834 7.5834 8.1994 8.1994 8.6330 8.6330 8.9613 8.9613 9.2746 9.2746 9.4456 9.4456 12.1639 12.1639 13.6323 13.6323 13.9058 13.9058 14.7900 14.7900 k = 0.1491 0.5000 0.1491 ( 2362 PWs) bands (ev): -45.4570 -45.4570 -23.0940 -23.0940 -21.0749 -21.0749 -20.9798 -20.9798 -7.6514 -7.6514 -7.3727 -7.3727 -6.5464 -6.5464 4.0037 4.0037 5.1296 5.1296 5.5227 5.5227 5.9396 5.9396 6.2936 6.2936 7.2664 7.2664 7.2963 7.2963 7.4246 7.4246 7.5388 7.5388 8.1992 8.1992 8.5960 8.5960 8.9746 8.9746 9.2815 9.2815 9.4505 9.4505 12.0749 12.0749 13.6262 13.6262 13.8804 13.8804 14.7865 14.7865 k = 0.1404 0.5000 0.1404 ( 2362 PWs) bands (ev): -45.4571 -45.4571 -23.0925 -23.0925 -21.0738 -21.0738 -20.9760 -20.9760 -7.6790 -7.6790 -7.3939 -7.3939 -6.5484 -6.5484 4.0048 4.0048 5.1848 5.1848 5.5725 5.5725 5.9858 5.9858 6.3298 6.3298 7.2336 7.2336 7.3762 7.3762 7.4365 7.4365 7.5211 7.5211 8.1991 8.1991 8.5542 8.5542 8.9945 8.9945 9.2887 9.2887 9.4555 9.4555 11.9870 11.9870 13.6214 13.6214 13.8561 13.8561 14.7807 14.7807 k = 0.1316 0.5000 0.1316 ( 2354 PWs) bands (ev): -45.4571 -45.4571 -23.0911 -23.0911 -21.0727 -21.0727 -20.9724 -20.9724 -7.7054 -7.7054 -7.4140 -7.4140 -6.5503 -6.5503 4.0058 4.0058 5.2423 5.2423 5.6232 5.6232 6.0302 6.0302 6.3588 6.3588 7.1976 7.1976 7.4009 7.4009 7.4505 7.4505 7.5596 7.5596 8.1993 8.1993 8.5099 8.5099 9.0191 9.0191 9.2960 9.2960 9.4606 9.4606 11.9004 11.9004 13.6178 13.6178 13.8329 13.8329 14.7730 14.7730 k = 0.1228 0.5000 0.1228 ( 2358 PWs) bands (ev): -45.4573 -45.4573 -23.0897 -23.0897 -21.0716 -21.0716 -20.9690 -20.9690 -7.7303 -7.7303 -7.4331 -7.4331 -6.5522 -6.5522 4.0068 4.0068 5.3018 5.3018 5.6747 5.6747 6.0724 6.0724 6.3814 6.3814 7.1587 7.1587 7.3504 7.3504 7.5171 7.5171 7.6214 7.6214 8.1996 8.1996 8.4650 8.4650 9.0469 9.0469 9.3032 9.3032 9.4657 9.4657 11.8152 11.8152 13.6151 13.6151 13.8110 13.8110 14.7637 14.7637 k = 0.1140 0.5000 0.1140 ( 2354 PWs) bands (ev): -45.4573 -45.4573 -23.0884 -23.0884 -21.0707 -21.0707 -20.9658 -20.9658 -7.7537 -7.7537 -7.4510 -7.4510 -6.5540 -6.5540 4.0077 4.0077 5.3634 5.3634 5.7269 5.7269 6.1124 6.1124 6.3984 6.3984 7.1168 7.1168 7.2955 7.2955 7.5801 7.5801 7.6901 7.6901 8.2002 8.2002 8.4212 8.4212 9.0772 9.0772 9.3104 9.3104 9.4709 9.4709 11.7318 11.7318 13.6132 13.6132 13.7905 13.7905 14.7532 14.7532 k = 0.1053 0.5000 0.1053 ( 2348 PWs) bands (ev): -45.4573 -45.4573 -23.0871 -23.0871 -21.0697 -21.0697 -20.9627 -20.9627 -7.7757 -7.7757 -7.4677 -7.4677 -6.5556 -6.5556 4.0085 4.0085 5.4270 5.4270 5.7797 5.7797 6.1498 6.1498 6.4112 6.4112 7.0719 7.0719 7.2386 7.2386 7.6409 7.6409 7.7598 7.7598 8.2009 8.2009 8.3794 8.3794 9.1092 9.1092 9.3174 9.3174 9.4762 9.4762 11.6505 11.6505 13.6120 13.6120 13.7715 13.7715 14.7419 14.7419 k = 0.0965 0.5000 0.0965 ( 2348 PWs) bands (ev): -45.4574 -45.4574 -23.0860 -23.0860 -21.0689 -21.0689 -20.9598 -20.9598 -7.7960 -7.7960 -7.4832 -7.4832 -6.5572 -6.5572 4.0092 4.0092 5.4925 5.4925 5.8332 5.8332 6.1843 6.1843 6.4205 6.4205 7.0239 7.0239 7.1806 7.1806 7.6998 7.6998 7.8277 7.8277 8.2015 8.2015 8.3405 8.3405 9.1424 9.1424 9.3241 9.3241 9.4816 9.4816 11.5715 11.5715 13.6111 13.6111 13.7540 13.7540 14.7302 14.7302 k = 0.0877 0.5000 0.0877 ( 2348 PWs) bands (ev): -45.4575 -45.4575 -23.0849 -23.0849 -21.0681 -21.0681 -20.9572 -20.9572 -7.8148 -7.8148 -7.4974 -7.4974 -6.5587 -6.5587 4.0099 4.0099 5.5597 5.5597 5.8870 5.8870 6.2157 6.2157 6.4275 6.4275 6.9726 6.9726 7.1219 7.1219 7.7563 7.7563 7.8919 7.8919 8.2019 8.2019 8.3057 8.3057 9.1761 9.1761 9.3305 9.3305 9.4873 9.4873 11.4954 11.4954 13.6105 13.6105 13.7383 13.7383 14.7183 14.7183 k = 0.0789 0.5000 0.0789 ( 2352 PWs) bands (ev): -45.4576 -45.4576 -23.0840 -23.0840 -21.0674 -21.0674 -20.9548 -20.9548 -7.8318 -7.8318 -7.5104 -7.5104 -6.5600 -6.5600 4.0106 4.0106 5.6285 5.6285 5.9413 5.9413 6.2437 6.2437 6.4329 6.4329 6.9181 6.9181 7.0629 7.0629 7.8093 7.8093 7.9514 7.9514 8.2011 8.2011 8.2764 8.2764 9.2098 9.2098 9.3367 9.3367 9.4933 9.4933 11.4226 11.4226 13.6099 13.6099 13.7244 13.7244 14.7065 14.7065 k = 0.0702 0.5000 0.0702 ( 2352 PWs) bands (ev): -45.4577 -45.4577 -23.0831 -23.0831 -21.0667 -21.0667 -20.9526 -20.9526 -7.8472 -7.8472 -7.5221 -7.5221 -6.5612 -6.5612 4.0112 4.0112 5.6989 5.6989 5.9957 5.9957 6.2681 6.2681 6.4375 6.4375 6.8603 6.8603 7.0040 7.0040 7.8581 7.8581 8.0046 8.0046 8.1979 8.1979 8.2552 8.2552 9.2426 9.2426 9.3427 9.3427 9.4997 9.4997 11.3538 11.3538 13.6092 13.6092 13.7125 13.7125 14.6953 14.6953 k = 0.0614 0.5000 0.0614 ( 2352 PWs) bands (ev): -45.4578 -45.4578 -23.0823 -23.0823 -21.0661 -21.0661 -20.9507 -20.9507 -7.8609 -7.8609 -7.5325 -7.5325 -6.5623 -6.5623 4.0117 4.0117 5.7705 5.7705 6.0502 6.0502 6.2886 6.2886 6.4417 6.4417 6.7993 6.7993 6.9457 6.9457 7.9018 7.9018 8.0496 8.0496 8.1919 8.1919 8.2441 8.2441 9.2734 9.2734 9.3486 9.3486 9.5066 9.5066 11.2896 11.2896 13.6082 13.6082 13.7025 13.7025 14.6847 14.6847 k = 0.0526 0.5000 0.0526 ( 2364 PWs) bands (ev): -45.4580 -45.4580 -23.0817 -23.0817 -21.0656 -21.0656 -20.9490 -20.9490 -7.8728 -7.8728 -7.5416 -7.5416 -6.5633 -6.5633 4.0121 4.0121 5.8433 5.8433 6.1043 6.1043 6.3052 6.3052 6.4458 6.4458 6.7354 6.7354 6.8884 6.8884 7.9396 7.9396 8.0823 8.0823 8.1885 8.1885 8.2412 8.2412 9.3006 9.3006 9.3550 9.3550 9.5140 9.5140 11.2309 11.2309 13.6068 13.6068 13.6945 13.6945 14.6750 14.6750 k = 0.0439 0.5000 0.0439 ( 2368 PWs) bands (ev): -45.4581 -45.4581 -23.0811 -23.0811 -21.0652 -21.0652 -20.9476 -20.9476 -7.8829 -7.8829 -7.5492 -7.5492 -6.5641 -6.5641 4.0125 4.0125 5.9170 5.9170 6.1576 6.1576 6.3182 6.3182 6.4498 6.4498 6.6688 6.6688 6.8327 6.8327 7.9711 7.9711 8.0977 8.0977 8.1960 8.1960 8.2429 8.2429 9.3225 9.3225 9.3629 9.3629 9.5221 9.5221 11.1786 11.1786 13.6051 13.6051 13.6885 13.6885 14.6664 14.6664 k = 0.0351 0.5000 0.0351 ( 2376 PWs) bands (ev): -45.4582 -45.4582 -23.0807 -23.0807 -21.0648 -21.0648 -20.9464 -20.9464 -7.8912 -7.8912 -7.5555 -7.5555 -6.5648 -6.5648 4.0128 4.0128 5.9912 5.9912 6.2094 6.2094 6.3277 6.3277 6.4532 6.4532 6.6002 6.6002 6.7797 6.7797 7.9963 7.9963 8.0986 8.0986 8.2134 8.2134 8.2464 8.2464 9.3370 9.3370 9.3731 9.3731 9.5305 9.5305 11.1337 11.1337 13.6033 13.6033 13.6841 13.6841 14.6592 14.6592 k = 0.0263 0.5000 0.0263 ( 2376 PWs) bands (ev): -45.4583 -45.4583 -23.0803 -23.0803 -21.0645 -21.0645 -20.9455 -20.9455 -7.8976 -7.8976 -7.5605 -7.5605 -6.5653 -6.5653 4.0130 4.0130 6.0655 6.0655 6.2582 6.2582 6.3344 6.3344 6.4553 6.4553 6.5303 6.5303 6.7308 6.7308 8.0151 8.0151 8.0940 8.0940 8.2323 8.2323 8.2506 8.2506 9.3452 9.3452 9.3843 9.3843 9.5387 9.5387 11.0973 11.0973 13.6015 13.6015 13.6810 13.6810 14.6534 14.6534 k = 0.0175 0.5000 0.0175 ( 2372 PWs) bands (ev): -45.4582 -45.4582 -23.0800 -23.0800 -21.0643 -21.0643 -20.9448 -20.9448 -7.9023 -7.9023 -7.5640 -7.5640 -6.5657 -6.5657 4.0132 4.0132 6.1390 6.1390 6.3010 6.3010 6.3388 6.3388 6.4509 6.4509 6.4649 6.4649 6.6892 6.6892 8.0281 8.0281 8.0890 8.0890 8.2477 8.2477 8.2544 8.2544 9.3495 9.3495 9.3937 9.3937 9.5457 9.5457 11.0705 11.0705 13.6000 13.6000 13.6791 13.6791 14.6492 14.6492 k = 0.0088 0.5000 0.0088 ( 2364 PWs) bands (ev): -45.4581 -45.4581 -23.0799 -23.0799 -21.0642 -21.0642 -20.9444 -20.9444 -7.9051 -7.9051 -7.5661 -7.5661 -6.5659 -6.5659 4.0133 4.0133 6.2083 6.2083 6.3298 6.3298 6.3424 6.3424 6.3938 6.3938 6.4553 6.4553 6.6599 6.6599 8.0357 8.0357 8.0857 8.0857 8.2570 8.2570 8.2575 8.2575 9.3518 9.3518 9.3996 9.3996 9.5505 9.5505 11.0540 11.0540 13.5991 13.5991 13.6781 13.6781 14.6467 14.6467 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4581 -45.4581 -23.0798 -23.0798 -21.0641 -21.0641 -20.9442 -20.9442 -7.9060 -7.9060 -7.5668 -7.5668 -6.5660 -6.5660 4.0133 4.0133 6.2499 6.2499 6.3280 6.3280 6.3452 6.3452 6.3657 6.3657 6.4535 6.4535 6.6490 6.6490 8.0382 8.0382 8.0845 8.0845 8.2579 8.2579 8.2608 8.2608 9.3525 9.3525 9.4016 9.4016 9.5522 9.5522 11.0484 11.0484 13.5988 13.5988 13.6778 13.6778 14.6458 14.6458 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -45.4553 -45.4553 -23.1161 -23.1161 -21.1202 -21.1202 -20.9968 -20.9968 -7.7244 -7.7244 -6.5783 -6.5783 -6.4565 -6.4565 3.7712 3.7712 4.0107 4.0107 4.2856 4.2856 5.7904 5.7904 5.8252 5.8252 7.2487 7.2487 7.2567 7.2567 7.8249 7.8249 7.8892 7.8892 8.2386 8.2386 8.3598 8.3598 9.0180 9.0180 9.1406 9.1406 9.6226 9.6226 13.6360 13.6360 13.7058 13.7058 14.5594 14.5594 15.2558 15.2558 k = 0.5000 0.5000 0.0125 ( 2360 PWs) bands (ev): -45.4553 -45.4553 -23.1162 -23.1162 -21.1202 -21.1202 -20.9970 -20.9970 -7.7227 -7.7227 -6.5783 -6.5783 -6.4565 -6.4565 3.7713 3.7713 4.0114 4.0114 4.2857 4.2857 5.7867 5.7867 5.8213 5.8213 7.2518 7.2518 7.2591 7.2591 7.8176 7.8176 7.8896 7.8896 8.2391 8.2391 8.3598 8.3598 9.0188 9.0188 9.1413 9.1413 9.6221 9.6221 13.6368 13.6368 13.7066 13.7066 14.5582 14.5582 15.2532 15.2532 k = 0.5000 0.5000 0.0250 ( 2360 PWs) bands (ev): -45.4553 -45.4553 -23.1163 -23.1163 -21.1201 -21.1201 -20.9976 -20.9976 -7.7178 -7.7178 -6.5782 -6.5782 -6.4564 -6.4564 3.7713 3.7713 4.0133 4.0133 4.2858 4.2858 5.7758 5.7758 5.8096 5.8096 7.2609 7.2609 7.2662 7.2662 7.7960 7.7960 7.8908 7.8908 8.2405 8.2405 8.3598 8.3598 9.0213 9.0213 9.1433 9.1433 9.6208 9.6208 13.6393 13.6393 13.7090 13.7090 14.5544 14.5544 15.2455 15.2455 k = 0.5000 0.5000 0.0375 ( 2380 PWs) bands (ev): -45.4556 -45.4556 -23.1166 -23.1166 -21.1201 -21.1201 -20.9985 -20.9985 -7.7097 -7.7097 -6.5780 -6.5780 -6.4563 -6.4563 3.7714 3.7714 4.0165 4.0165 4.2859 4.2859 5.7580 5.7580 5.7904 5.7904 7.2755 7.2755 7.2777 7.2777 7.7604 7.7604 7.8926 7.8926 8.2426 8.2426 8.3597 8.3597 9.0253 9.0253 9.1463 9.1463 9.6186 9.6186 13.6434 13.6434 13.7131 13.7131 14.5480 14.5480 15.2330 15.2330 k = 0.5000 0.5000 0.0500 ( 2372 PWs) bands (ev): -45.4554 -45.4554 -23.1169 -23.1169 -21.1200 -21.1200 -20.9998 -20.9998 -7.6983 -7.6983 -6.5778 -6.5778 -6.4561 -6.4561 3.7716 3.7716 4.0210 4.0210 4.2861 4.2861 5.7339 5.7339 5.7646 5.7646 7.2931 7.2931 7.2951 7.2951 7.7115 7.7115 7.8953 7.8953 8.2460 8.2460 8.3596 8.3596 9.0311 9.0311 9.1509 9.1509 9.6156 9.6156 13.6493 13.6493 13.7189 13.7189 14.5388 14.5388 15.2160 15.2160 k = 0.5000 0.5000 0.0625 ( 2356 PWs) bands (ev): -45.4552 -45.4552 -23.1173 -23.1173 -21.1199 -21.1199 -21.0014 -21.0014 -7.6837 -7.6837 -6.5775 -6.5775 -6.4559 -6.4559 3.7718 3.7718 4.0267 4.0267 4.2863 4.2863 5.7042 5.7042 5.7329 5.7329 7.3118 7.3118 7.3189 7.3189 7.6499 7.6499 7.8987 7.8987 8.2501 8.2501 8.3596 8.3596 9.0385 9.0385 9.1566 9.1566 9.6118 9.6118 13.6571 13.6571 13.7265 13.7265 14.5265 14.5265 15.1953 15.1953 k = 0.5000 0.5000 0.0750 ( 2356 PWs) bands (ev): -45.4551 -45.4551 -23.1179 -23.1179 -21.1198 -21.1198 -21.0035 -21.0035 -7.6661 -7.6661 -6.5771 -6.5771 -6.4557 -6.4557 3.7720 3.7720 4.0336 4.0336 4.2866 4.2866 5.6693 5.6693 5.6960 5.6960 7.3332 7.3332 7.3459 7.3459 7.5766 7.5766 7.9029 7.9029 8.2550 8.2550 8.3595 8.3595 9.0472 9.0472 9.1633 9.1633 9.6070 9.6070 13.6668 13.6668 13.7360 13.7360 14.5109 14.5109 15.1714 15.1714 k = 0.5000 0.5000 0.0875 ( 2356 PWs) bands (ev): -45.4551 -45.4551 -23.1185 -23.1185 -21.1197 -21.1197 -21.0058 -21.0058 -7.6454 -7.6454 -6.5767 -6.5767 -6.4554 -6.4554 3.7723 3.7723 4.0417 4.0417 4.2868 4.2868 5.6302 5.6302 5.6547 5.6547 7.3567 7.3567 7.3750 7.3750 7.4930 7.4930 7.9078 7.9078 8.2606 8.2606 8.3594 8.3594 9.0573 9.0573 9.1709 9.1709 9.6015 9.6015 13.6784 13.6784 13.7475 13.7475 14.4916 14.4916 15.1453 15.1453 k = 0.5000 0.5000 0.1000 ( 2340 PWs) bands (ev): -45.4548 -45.4548 -23.1192 -23.1192 -21.1195 -21.1195 -21.0084 -21.0084 -7.6218 -7.6218 -6.5762 -6.5762 -6.4550 -6.4550 3.7727 3.7727 4.0510 4.0510 4.2869 4.2869 5.5875 5.5875 5.6098 5.6098 7.3816 7.3816 7.3876 7.3876 7.4178 7.4178 7.9137 7.9137 8.2672 8.2672 8.3594 8.3594 9.0686 9.0686 9.1794 9.1794 9.5952 9.5952 13.6922 13.6922 13.7611 13.7611 14.4682 14.4682 15.1178 15.1178 k = 0.5000 0.5000 0.1125 ( 2348 PWs) bands (ev): -45.4548 -45.4548 -23.1200 -23.1200 -21.1194 -21.1194 -21.0114 -21.0114 -7.5954 -7.5954 -6.5757 -6.5757 -6.4547 -6.4547 3.7730 3.7730 4.0613 4.0613 4.2870 4.2870 5.5418 5.5418 5.5622 5.5622 7.2929 7.2929 7.4073 7.4073 7.4423 7.4423 7.9204 7.9204 8.2740 8.2740 8.3594 8.3594 9.0808 9.0808 9.1885 9.1885 9.5881 9.5881 13.7081 13.7081 13.7768 13.7768 14.4404 14.4404 15.0898 15.0898 k = 0.5000 0.5000 0.1250 ( 2348 PWs) bands (ev): -45.4547 -45.4547 -23.1209 -23.1209 -21.1192 -21.1192 -21.0146 -21.0146 -7.5662 -7.5662 -6.5751 -6.5751 -6.4542 -6.4542 3.7734 3.7734 4.0728 4.0728 4.2868 4.2868 5.4939 5.4939 5.5123 5.5123 7.1831 7.1831 7.4335 7.4335 7.4747 7.4747 7.9280 7.9280 8.2814 8.2814 8.3594 8.3594 9.0940 9.0940 9.1981 9.1981 9.5802 9.5802 13.7264 13.7264 13.7949 13.7949 14.4080 14.4080 15.0622 15.0622 k = 0.5000 0.5000 0.1375 ( 2340 PWs) bands (ev): -45.4545 -45.4545 -23.1219 -23.1219 -21.1190 -21.1190 -21.0181 -21.0181 -7.5345 -7.5345 -6.5744 -6.5744 -6.4538 -6.4538 3.7738 3.7738 4.0852 4.0852 4.2865 4.2865 5.4443 5.4443 5.4609 5.4609 7.0665 7.0665 7.4597 7.4597 7.5073 7.5073 7.9366 7.9366 8.2893 8.2893 8.3596 8.3596 9.1080 9.1080 9.2081 9.2081 9.5716 9.5716 13.7472 13.7472 13.8155 13.8155 14.3708 14.3708 15.0356 15.0356 k = 0.5000 0.5000 0.1500 ( 2348 PWs) bands (ev): -45.4545 -45.4545 -23.1229 -23.1229 -21.1188 -21.1188 -21.0218 -21.0218 -7.5003 -7.5003 -6.5736 -6.5736 -6.4533 -6.4533 3.7743 3.7743 4.0985 4.0985 4.2859 4.2859 5.3934 5.3934 5.4085 5.4085 6.9444 6.9444 7.4856 7.4856 7.5393 7.5393 7.9462 7.9462 8.2975 8.2975 8.3599 8.3599 9.1222 9.1222 9.2181 9.2181 9.5623 9.5623 13.7704 13.7704 13.8385 13.8385 14.3289 14.3289 15.0106 15.0106 k = 0.5000 0.5000 0.1625 ( 2356 PWs) bands (ev): -45.4545 -45.4545 -23.1240 -23.1240 -21.1186 -21.1186 -21.0258 -21.0258 -7.4639 -7.4639 -6.5728 -6.5728 -6.4528 -6.4528 3.7747 3.7747 4.1128 4.1128 4.2850 4.2850 5.3418 5.3418 5.3554 5.3554 6.8181 6.8181 7.5109 7.5109 7.5702 7.5702 7.9570 7.9570 8.3058 8.3058 8.3604 8.3604 9.1368 9.1368 9.2281 9.2281 9.5524 9.5524 13.7962 13.7962 13.8640 13.8640 14.2824 14.2824 14.9877 14.9877 k = 0.5000 0.5000 0.1750 ( 2356 PWs) bands (ev): -45.4545 -45.4545 -23.1251 -23.1251 -21.1184 -21.1184 -21.0299 -21.0299 -7.4254 -7.4254 -6.5720 -6.5720 -6.4523 -6.4523 3.7752 3.7752 4.1278 4.1278 4.2835 4.2835 5.2898 5.2898 5.3021 5.3021 6.6886 6.6886 7.5355 7.5355 7.5997 7.5997 7.9689 7.9689 8.3146 8.3146 8.3612 8.3612 9.1514 9.1514 9.2379 9.2379 9.5419 9.5419 13.8247 13.8247 13.8921 13.8921 14.2320 14.2320 14.9669 14.9669 k = 0.5000 0.5000 0.1875 ( 2356 PWs) bands (ev): -45.4544 -45.4544 -23.1263 -23.1263 -21.1182 -21.1182 -21.0341 -21.0341 -7.3850 -7.3850 -6.5710 -6.5710 -6.4517 -6.4517 3.7758 3.7758 4.1436 4.1436 4.2816 4.2816 5.2378 5.2378 5.2489 5.2489 6.5570 6.5570 7.5593 7.5593 7.6274 7.6274 7.9820 7.9820 8.3234 8.3234 8.3622 8.3622 9.1658 9.1658 9.2473 9.2473 9.5308 9.5308 13.8558 13.8558 13.9226 13.9226 14.1781 14.1781 14.9482 14.9482 k = 0.5000 0.5000 0.2000 ( 2348 PWs) bands (ev): -45.4541 -45.4541 -23.1276 -23.1276 -21.1179 -21.1179 -21.0385 -21.0385 -7.3429 -7.3429 -6.5700 -6.5700 -6.4512 -6.4512 3.7763 3.7763 4.1600 4.1600 4.2789 4.2789 5.1861 5.1861 5.1962 5.1962 6.4242 6.4242 7.5821 7.5821 7.6531 7.6531 7.9963 7.9963 8.3324 8.3324 8.3635 8.3635 9.1799 9.1799 9.2561 9.2561 9.5191 9.5191 13.8896 13.8896 13.9549 13.9549 14.1220 14.1220 14.9316 14.9316 k = 0.5000 0.5000 0.2125 ( 2348 PWs) bands (ev): -45.4540 -45.4540 -23.1288 -23.1288 -21.1177 -21.1177 -21.0430 -21.0430 -7.2993 -7.2993 -6.5688 -6.5688 -6.4506 -6.4506 3.7769 3.7769 4.1770 4.1770 4.2753 4.2753 5.1350 5.1350 5.1442 5.1442 6.2913 6.2913 7.6038 7.6038 7.6766 7.6766 8.0117 8.0117 8.3414 8.3414 8.3652 8.3652 9.1934 9.1934 9.2642 9.2642 9.5070 9.5070 13.9259 13.9259 13.9859 13.9859 14.0673 14.0673 14.9169 14.9169 k = 0.5000 0.5000 0.2250 ( 2344 PWs) bands (ev): -45.4539 -45.4539 -23.1302 -23.1302 -21.1174 -21.1174 -21.0475 -21.0475 -7.2546 -7.2546 -6.5676 -6.5676 -6.4500 -6.4500 3.7774 3.7774 4.1944 4.1944 4.2708 4.2708 5.0847 5.0847 5.0932 5.0932 6.1593 6.1593 7.6246 7.6246 7.6979 7.6979 8.0282 8.0282 8.3504 8.3504 8.3672 8.3672 9.2061 9.2061 9.2714 9.2714 9.4944 9.4944 13.9646 13.9646 13.9827 13.9827 14.0475 14.0475 14.9040 14.9040 k = 0.5000 0.5000 0.2375 ( 2344 PWs) bands (ev): -45.4538 -45.4538 -23.1315 -23.1315 -21.1171 -21.1171 -21.0521 -21.0521 -7.2089 -7.2089 -6.5663 -6.5663 -6.4494 -6.4494 3.7780 3.7780 4.2122 4.2122 4.2650 4.2650 5.0355 5.0355 5.0433 5.0433 6.0291 6.0291 7.6442 7.6442 7.7171 7.7171 8.0456 8.0456 8.3593 8.3593 8.3697 8.3697 9.2179 9.2179 9.2776 9.2776 9.4815 9.4815 13.9285 13.9285 14.0056 14.0056 14.0800 14.0800 14.8925 14.8925 k = 0.5000 0.5000 0.2500 ( 2356 PWs) bands (ev): -45.4538 -45.4538 -23.1328 -23.1328 -21.1169 -21.1169 -21.0567 -21.0567 -7.1625 -7.1625 -6.5648 -6.5648 -6.4488 -6.4488 3.7785 3.7785 4.2303 4.2303 4.2576 4.2576 4.9876 4.9876 4.9948 4.9948 5.9016 5.9016 7.6627 7.6627 7.7340 7.7340 8.0638 8.0638 8.3680 8.3680 8.3726 8.3726 9.2286 9.2286 9.2826 9.2826 9.4682 9.4682 13.8670 13.8670 14.0486 14.0486 14.1211 14.1211 14.8824 14.8824 k = 0.5000 0.5000 0.2625 ( 2352 PWs) bands (ev): -45.4537 -45.4537 -23.1342 -23.1342 -21.1166 -21.1166 -21.0613 -21.0613 -7.1158 -7.1158 -6.5632 -6.5632 -6.4482 -6.4482 3.7791 3.7791 4.2485 4.2485 4.2485 4.2485 4.9411 4.9411 4.9478 4.9478 5.7778 5.7778 7.6802 7.6802 7.7491 7.7491 8.0827 8.0827 8.3761 8.3761 8.3767 8.3767 9.2382 9.2382 9.2867 9.2867 9.4547 9.4547 13.8044 13.8044 14.0936 14.0936 14.1653 14.1653 14.8735 14.8735 k = 0.5000 0.5000 0.2750 ( 2352 PWs) bands (ev): -45.4536 -45.4536 -23.1355 -23.1355 -21.1164 -21.1164 -21.0658 -21.0658 -7.0690 -7.0690 -6.5614 -6.5614 -6.4476 -6.4476 3.7797 3.7797 4.2373 4.2373 4.2668 4.2668 4.8962 4.8962 4.9024 4.9024 5.6586 5.6586 7.6967 7.6967 7.7623 7.7623 8.1019 8.1019 8.3800 8.3800 8.3852 8.3852 9.2467 9.2467 9.2895 9.2895 9.4410 9.4410 13.7421 13.7421 14.1400 14.1400 14.2114 14.2114 14.8656 14.8656 k = 0.5000 0.5000 0.2875 ( 2360 PWs) bands (ev): -45.4536 -45.4536 -23.1368 -23.1368 -21.1161 -21.1161 -21.0702 -21.0702 -7.0225 -7.0225 -6.5593 -6.5593 -6.4470 -6.4470 3.7802 3.7802 4.2236 4.2236 4.2850 4.2850 4.8530 4.8530 4.8589 4.8589 5.5451 5.5451 7.7121 7.7121 7.7738 7.7738 8.1212 8.1212 8.3845 8.3845 8.3934 8.3934 9.2539 9.2539 9.2911 9.2911 9.4272 9.4272 13.6806 13.6806 14.1877 14.1877 14.2588 14.2588 14.8587 14.8587 k = 0.5000 0.5000 0.3000 ( 2360 PWs) bands (ev): -45.4535 -45.4535 -23.1382 -23.1382 -21.1159 -21.1159 -21.0746 -21.0746 -6.9766 -6.9766 -6.5570 -6.5570 -6.4464 -6.4464 3.7808 3.7808 4.2071 4.2071 4.3030 4.3030 4.8117 4.8117 4.8173 4.8173 5.4381 5.4381 7.7265 7.7265 7.7838 7.7838 8.1405 8.1405 8.3895 8.3895 8.4015 8.4015 9.2599 9.2599 9.2917 9.2917 9.4133 9.4133 13.6205 13.6205 14.2362 14.2362 14.3071 14.3071 14.8526 14.8526 k = 0.5000 0.5000 0.3125 ( 2360 PWs) bands (ev): -45.4534 -45.4534 -23.1394 -23.1394 -21.1156 -21.1156 -21.0788 -21.0788 -6.9318 -6.9318 -6.5543 -6.5543 -6.4458 -6.4458 3.7813 3.7813 4.1874 4.1874 4.3207 4.3207 4.7725 4.7725 4.7778 4.7778 5.3386 5.3386 7.7400 7.7400 7.7924 7.7924 8.1595 8.1595 8.3950 8.3950 8.4094 8.4094 9.2647 9.2647 9.2912 9.2912 9.3994 9.3994 13.5622 13.5622 14.2851 14.2851 14.3557 14.3557 14.8473 14.8473 k = 0.5000 0.5000 0.3250 ( 2360 PWs) bands (ev): -45.4532 -45.4532 -23.1407 -23.1407 -21.1154 -21.1154 -21.0829 -21.0829 -6.8884 -6.8884 -6.5511 -6.5511 -6.4453 -6.4453 3.7818 3.7818 4.1643 4.1643 4.3380 4.3380 4.7353 4.7353 4.7404 4.7404 5.2474 5.2474 7.7526 7.7526 7.7998 7.7998 8.1780 8.1780 8.4009 8.4009 8.4172 8.4172 9.2683 9.2683 9.2897 9.2897 9.3857 9.3857 13.5062 13.5062 14.3340 14.3340 14.4042 14.4042 14.8427 14.8427 k = 0.5000 0.5000 0.3375 ( 2360 PWs) bands (ev): -45.4531 -45.4531 -23.1419 -23.1419 -21.1152 -21.1152 -21.0868 -21.0868 -6.8470 -6.8470 -6.5473 -6.5473 -6.4447 -6.4447 3.7823 3.7823 4.1376 4.1376 4.3547 4.3547 4.7003 4.7003 4.7052 4.7052 5.1651 5.1651 7.7642 7.7642 7.8062 7.8062 8.1959 8.1959 8.4074 8.4074 8.4246 8.4246 9.2710 9.2710 9.2873 9.2873 9.3721 9.3721 13.4526 13.4526 14.3825 14.3825 14.4521 14.4521 14.8389 14.8389 k = 0.5000 0.5000 0.3500 ( 2360 PWs) bands (ev): -45.4531 -45.4531 -23.1430 -23.1430 -21.1150 -21.1150 -21.0905 -21.0905 -6.8081 -6.8081 -6.5427 -6.5427 -6.4442 -6.4442 3.7828 3.7828 4.1074 4.1074 4.3708 4.3708 4.6676 4.6676 4.6724 4.6724 5.0921 5.0921 7.7748 7.7748 7.8117 7.8117 8.2130 8.2130 8.4142 8.4142 8.4317 8.4317 9.2726 9.2726 9.2842 9.2842 9.3588 9.3588 13.4019 13.4019 14.4300 14.4300 14.4987 14.4987 14.8359 14.8359 k = 0.5000 0.5000 0.3625 ( 2344 PWs) bands (ev): -45.4528 -45.4528 -23.1441 -23.1441 -21.1148 -21.1148 -21.0940 -21.0940 -6.7722 -6.7722 -6.5370 -6.5370 -6.4437 -6.4437 3.7832 3.7832 4.0742 4.0742 4.3862 4.3862 4.6372 4.6372 4.6419 4.6419 5.0286 5.0286 7.7847 7.7847 7.8165 7.8165 8.2292 8.2292 8.4215 8.4215 8.4385 8.4385 9.2734 9.2734 9.2805 9.2805 9.3459 9.3459 13.3543 13.3543 14.4762 14.4762 14.5435 14.5435 14.8339 14.8339 k = 0.5000 0.5000 0.3750 ( 2344 PWs) bands (ev): -45.4527 -45.4527 -23.1451 -23.1451 -21.1146 -21.1146 -21.0972 -21.0972 -6.7399 -6.7399 -6.5301 -6.5301 -6.4433 -6.4433 3.7837 3.7837 4.0385 4.0385 4.4006 4.4006 4.6093 4.6093 4.6139 4.6139 4.9741 4.9741 7.7935 7.7935 7.8205 7.8205 8.2442 8.2442 8.4288 8.4288 8.4449 8.4449 9.2735 9.2735 9.2764 9.2764 9.3335 9.3335 13.3100 13.3100 14.5203 14.5203 14.5858 14.5858 14.8328 14.8328 k = 0.5000 0.5000 0.3875 ( 2352 PWs) bands (ev): -45.4527 -45.4527 -23.1460 -23.1460 -21.1144 -21.1144 -21.1002 -21.1002 -6.7117 -6.7117 -6.5216 -6.5216 -6.4429 -6.4429 3.7840 3.7840 4.0014 4.0014 4.4140 4.4140 4.5839 4.5839 4.5884 4.5884 4.9283 4.9283 7.8014 7.8014 7.8237 7.8237 8.2580 8.2580 8.4362 8.4362 8.4508 8.4508 9.2720 9.2720 9.2730 9.2730 9.3217 9.3217 13.2694 13.2694 14.5620 14.5620 14.6247 14.6247 14.8329 14.8329 k = 0.5000 0.5000 0.4000 ( 2356 PWs) bands (ev): -45.4527 -45.4527 -23.1469 -23.1469 -21.1143 -21.1143 -21.1030 -21.1030 -6.6880 -6.6880 -6.5115 -6.5115 -6.4425 -6.4425 3.7844 3.7844 3.9640 3.9640 4.4264 4.4264 4.5610 4.5610 4.5654 4.5654 4.8904 4.8904 7.8084 7.8084 7.8264 7.8264 8.2705 8.2705 8.4436 8.4436 8.4563 8.4563 9.2675 9.2675 9.2721 9.2721 9.3107 9.3107 13.2325 13.2325 14.6008 14.6008 14.6596 14.6596 14.8345 14.8345 k = 0.5000 0.5000 0.4125 ( 2348 PWs) bands (ev): -45.4525 -45.4525 -23.1477 -23.1477 -21.1141 -21.1141 -21.1054 -21.1054 -6.6690 -6.6690 -6.5000 -6.5000 -6.4422 -6.4422 3.7847 3.7847 3.9276 3.9276 4.4375 4.4375 4.5407 4.5407 4.5450 4.5450 4.8594 4.8594 7.8147 7.8147 7.8287 7.8287 8.2818 8.2818 8.4508 8.4508 8.4613 8.4613 9.2630 9.2630 9.2708 9.2708 9.3005 9.3005 13.1995 13.1995 14.6363 14.6363 14.6895 14.6895 14.8381 14.8381 k = 0.5000 0.5000 0.4250 ( 2348 PWs) bands (ev): -45.4525 -45.4525 -23.1483 -23.1483 -21.1140 -21.1140 -21.1076 -21.1076 -6.6542 -6.6542 -6.4877 -6.4877 -6.4419 -6.4419 3.7850 3.7850 3.8934 3.8934 4.4473 4.4473 4.5230 4.5230 4.5273 4.5273 4.8345 4.8345 7.8201 7.8201 7.8306 7.8306 8.2915 8.2915 8.4575 8.4575 8.4658 8.4658 9.2588 9.2588 9.2695 9.2695 9.2913 9.2913 13.1706 13.1706 14.6680 14.6680 14.7136 14.7136 14.8440 14.8440 k = 0.5000 0.5000 0.4375 ( 2340 PWs) bands (ev): -45.4523 -45.4523 -23.1489 -23.1489 -21.1139 -21.1139 -21.1094 -21.1094 -6.6431 -6.6431 -6.4755 -6.4755 -6.4416 -6.4416 3.7852 3.7852 3.8625 3.8625 4.4557 4.4557 4.5080 4.5080 4.5122 4.5122 4.8148 4.8148 7.8247 7.8247 7.8321 7.8321 8.3000 8.3000 8.4636 8.4636 8.4697 8.4697 9.2549 9.2549 9.2680 9.2680 9.2833 9.2833 13.1460 13.1460 14.6956 14.6956 14.7318 14.7318 14.8520 14.8520 k = 0.5000 0.5000 0.4500 ( 2332 PWs) bands (ev): -45.4522 -45.4522 -23.1494 -23.1494 -21.1138 -21.1138 -21.1109 -21.1109 -6.6351 -6.6351 -6.4641 -6.4641 -6.4414 -6.4414 3.7854 3.7854 3.8360 3.8360 4.4626 4.4626 4.4958 4.4958 4.4998 4.4998 4.7997 4.7997 7.8285 7.8285 7.8333 7.8333 8.3069 8.3069 8.4689 8.4689 8.4730 8.4730 9.2515 9.2515 9.2667 9.2667 9.2765 9.2765 13.1257 13.1257 14.7187 14.7187 14.7444 14.7444 14.8614 14.8614 k = 0.5000 0.5000 0.4625 ( 2320 PWs) bands (ev): -45.4520 -45.4520 -23.1497 -23.1497 -21.1137 -21.1137 -21.1121 -21.1121 -6.6295 -6.6295 -6.4544 -6.4544 -6.4412 -6.4412 3.7856 3.7856 3.8145 3.8145 4.4679 4.4679 4.4864 4.4864 4.4902 4.4902 4.7885 4.7885 7.8315 7.8315 7.8342 7.8342 8.3123 8.3123 8.4733 8.4733 8.4757 8.4757 9.2488 9.2488 9.2656 9.2656 9.2711 9.2711 13.1098 13.1098 14.7369 14.7369 14.7525 14.7525 14.8706 14.8706 k = 0.5000 0.5000 0.4750 ( 2320 PWs) bands (ev): -45.4520 -45.4520 -23.1500 -23.1500 -21.1136 -21.1136 -21.1129 -21.1129 -6.6258 -6.6258 -6.4471 -6.4471 -6.4411 -6.4411 3.7857 3.7857 3.7987 3.7987 4.4713 4.4713 4.4802 4.4802 4.4833 4.4833 4.7809 4.7809 7.8336 7.8336 7.8348 7.8348 8.3161 8.3161 8.4765 8.4765 8.4776 8.4776 9.2467 9.2467 9.2647 9.2647 9.2671 9.2671 13.0984 13.0984 14.7501 14.7501 14.7574 14.7574 14.8783 14.8783 k = 0.5000 0.5000 0.4875 ( 2320 PWs) bands (ev): -45.4519 -45.4519 -23.1502 -23.1502 -21.1136 -21.1136 -21.1134 -21.1134 -6.6237 -6.6237 -6.4425 -6.4425 -6.4410 -6.4410 3.7858 3.7858 3.7890 3.7890 4.4719 4.4719 4.4779 4.4779 4.4792 4.4792 4.7764 4.7764 7.8348 7.8348 7.8351 7.8351 8.3184 8.3184 8.4784 8.4784 8.4787 8.4787 9.2455 9.2455 9.2641 9.2641 9.2647 9.2647 13.0915 13.0915 14.7581 14.7581 14.7600 14.7600 14.8834 14.8834 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -45.4519 -45.4519 -23.1502 -23.1502 -21.1136 -21.1136 -21.1136 -21.1136 -6.6230 -6.6230 -6.4410 -6.4410 -6.4410 -6.4410 3.7858 3.7858 3.7858 3.7858 4.4714 4.4714 4.4778 4.4778 4.4778 4.4778 4.7749 4.7749 7.8352 7.8352 7.8352 7.8352 8.3192 8.3192 8.4791 8.4791 8.4791 8.4791 9.2451 9.2451 9.2639 9.2639 9.2639 9.2639 13.0892 13.0892 14.7608 14.7608 14.7608 14.7608 14.8851 14.8851 Writing output data file NbAgO3.save init_run : 0.23s CPU 0.34s WALL ( 1 calls) electrons : 76.86s CPU 78.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 76.85s CPU 78.47s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 309 calls) cegterg : 69.83s CPU 71.10s WALL ( 309 calls) Called by sum_band: Called by *egterg: h_psi : 34.20s CPU 34.95s WALL ( 4849 calls) s_psi : 2.44s CPU 2.41s WALL ( 4849 calls) g_psi : 0.10s CPU 0.11s WALL ( 4231 calls) cdiaghg : 31.04s CPU 31.86s WALL ( 4540 calls) cegterg:over : 3.07s CPU 3.03s WALL ( 4231 calls) cegterg:upda : 1.96s CPU 1.92s WALL ( 4231 calls) cegterg:last : 1.34s CPU 1.32s WALL ( 927 calls) cdiaghg:chol : 1.55s CPU 1.71s WALL ( 4540 calls) cdiaghg:inve : 1.17s CPU 1.18s WALL ( 4540 calls) cdiaghg:para : 1.83s CPU 1.85s WALL ( 9080 calls) Called by h_psi: h_psi:vloc : 28.78s CPU 29.54s WALL ( 4849 calls) h_psi:vnl : 5.32s CPU 5.33s WALL ( 4849 calls) add_vuspsi : 2.67s CPU 2.77s WALL ( 4849 calls) General routines calbec : 2.65s CPU 2.55s WALL ( 4849 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.79s CPU 27.37s WALL ( 633880 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.12s WALL ( 618 calls) Parallel routines fft_scatter : 12.84s CPU 13.61s WALL ( 633903 calls) PWSCF : 1m28.41s CPU 1m39.05s WALL This run was terminated on: 18:24:35 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=