Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:20: 1 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: ./ScCo.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 31 24 7 787 560 93 Max 32 25 8 791 573 96 Sum 1117 885 277 28425 20341 3407 bravais-lattice index = 14 lattice parameter (alat) = 5.9432 a.u. unit-cell volume = 209.9222 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.943188 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 Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 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 PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 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 Co 17.00 58.93320 Co( 1.00) Sc 11.00 44.95590 Sc( 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= 385 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 2) = ( 0.0000000 0.0100000 -0.0000000), wk = 0.0025974 k( 3) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0025974 k( 4) = ( 0.0000000 0.0300000 -0.0000000), wk = 0.0025974 k( 5) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0025974 k( 6) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0025974 k( 7) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0025974 k( 8) = ( 0.0000000 0.0700000 -0.0000000), wk = 0.0025974 k( 9) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0025974 k( 10) = ( 0.0000000 0.0900000 -0.0000000), wk = 0.0025974 k( 11) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025974 k( 12) = ( 0.0000000 0.1100000 -0.0000000), wk = 0.0025974 k( 13) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0025974 k( 14) = ( 0.0000000 0.1300000 -0.0000000), wk = 0.0025974 k( 15) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0025974 k( 16) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0025974 k( 17) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0025974 k( 18) = ( 0.0000000 0.1700000 -0.0000000), wk = 0.0025974 k( 19) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0025974 k( 20) = ( 0.0000000 0.1900000 -0.0000000), wk = 0.0025974 k( 21) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025974 k( 22) = ( 0.0000000 0.2100000 -0.0000000), wk = 0.0025974 k( 23) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0025974 k( 24) = ( 0.0000000 0.2300000 -0.0000000), wk = 0.0025974 k( 25) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0025974 k( 26) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025974 k( 27) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0025974 k( 28) = ( 0.0000000 0.2700000 -0.0000000), wk = 0.0025974 k( 29) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0025974 k( 30) = ( 0.0000000 0.2900000 -0.0000000), wk = 0.0025974 k( 31) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025974 k( 32) = ( 0.0000000 0.3100000 -0.0000000), wk = 0.0025974 k( 33) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0025974 k( 34) = ( 0.0000000 0.3300000 -0.0000000), wk = 0.0025974 k( 35) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0025974 k( 36) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0025974 k( 37) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0025974 k( 38) = ( 0.0000000 0.3700000 -0.0000000), wk = 0.0025974 k( 39) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0025974 k( 40) = ( 0.0000000 0.3900000 -0.0000000), wk = 0.0025974 k( 41) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025974 k( 42) = ( 0.0000000 0.4100000 -0.0000000), wk = 0.0025974 k( 43) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0025974 k( 44) = ( 0.0000000 0.4300000 -0.0000000), wk = 0.0025974 k( 45) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0025974 k( 46) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0025974 k( 47) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0025974 k( 48) = ( 0.0000000 0.4700000 -0.0000000), wk = 0.0025974 k( 49) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0025974 k( 50) = ( 0.0000000 0.4900000 -0.0000000), wk = 0.0025974 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025974 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025974 k( 53) = ( 0.0100000 0.5000000 -0.0000000), wk = 0.0025974 k( 54) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0025974 k( 55) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0025974 k( 56) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0025974 k( 57) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0025974 k( 58) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0025974 k( 59) = ( 0.0700000 0.5000000 -0.0000000), wk = 0.0025974 k( 60) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0025974 k( 61) = ( 0.0900000 0.5000000 -0.0000000), wk = 0.0025974 k( 62) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0025974 k( 63) = ( 0.1100000 0.5000000 -0.0000000), wk = 0.0025974 k( 64) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0025974 k( 65) = ( 0.1300000 0.5000000 -0.0000000), wk = 0.0025974 k( 66) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0025974 k( 67) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0025974 k( 68) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0025974 k( 69) = ( 0.1700000 0.5000000 -0.0000000), wk = 0.0025974 k( 70) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0025974 k( 71) = ( 0.1900000 0.5000000 -0.0000000), wk = 0.0025974 k( 72) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0025974 k( 73) = ( 0.2100000 0.5000000 -0.0000000), wk = 0.0025974 k( 74) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0025974 k( 75) = ( 0.2300000 0.5000000 -0.0000000), wk = 0.0025974 k( 76) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0025974 k( 77) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025974 k( 78) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0025974 k( 79) = ( 0.2700000 0.5000000 -0.0000000), wk = 0.0025974 k( 80) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0025974 k( 81) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0025974 k( 82) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0025974 k( 83) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0025974 k( 84) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0025974 k( 85) = ( 0.3300000 0.5000000 -0.0000000), wk = 0.0025974 k( 86) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0025974 k( 87) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0025974 k( 88) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0025974 k( 89) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0025974 k( 90) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0025974 k( 91) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0025974 k( 92) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0025974 k( 93) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0025974 k( 94) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0025974 k( 95) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0025974 k( 96) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0025974 k( 97) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0025974 k( 98) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0025974 k( 99) = ( 0.4700000 0.5000000 -0.0000000), wk = 0.0025974 k( 100) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0025974 k( 101) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0025974 k( 102) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025974 k( 103) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025974 k( 104) = ( 0.4929577 0.4929577 -0.0000000), wk = 0.0025974 k( 105) = ( 0.4859155 0.4859155 -0.0000000), wk = 0.0025974 k( 106) = ( 0.4788732 0.4788732 -0.0000000), wk = 0.0025974 k( 107) = ( 0.4718310 0.4718310 -0.0000000), wk = 0.0025974 k( 108) = ( 0.4647887 0.4647887 -0.0000000), wk = 0.0025974 k( 109) = ( 0.4577465 0.4577465 -0.0000000), wk = 0.0025974 k( 110) = ( 0.4507042 0.4507042 -0.0000000), wk = 0.0025974 k( 111) = ( 0.4436620 0.4436620 -0.0000000), wk = 0.0025974 k( 112) = ( 0.4366197 0.4366197 -0.0000000), wk = 0.0025974 k( 113) = ( 0.4295775 0.4295775 -0.0000000), wk = 0.0025974 k( 114) = ( 0.4225352 0.4225352 -0.0000000), wk = 0.0025974 k( 115) = ( 0.4154930 0.4154930 -0.0000000), wk = 0.0025974 k( 116) = ( 0.4084507 0.4084507 -0.0000000), wk = 0.0025974 k( 117) = ( 0.4014085 0.4014084 -0.0000000), wk = 0.0025974 k( 118) = ( 0.3943662 0.3943662 -0.0000000), wk = 0.0025974 k( 119) = ( 0.3873239 0.3873239 -0.0000000), wk = 0.0025974 k( 120) = ( 0.3802817 0.3802817 -0.0000000), wk = 0.0025974 k( 121) = ( 0.3732394 0.3732394 -0.0000000), wk = 0.0025974 k( 122) = ( 0.3661972 0.3661972 -0.0000000), wk = 0.0025974 k( 123) = ( 0.3591549 0.3591549 -0.0000000), wk = 0.0025974 k( 124) = ( 0.3521127 0.3521127 -0.0000000), wk = 0.0025974 k( 125) = ( 0.3450704 0.3450704 -0.0000000), wk = 0.0025974 k( 126) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0025974 k( 127) = ( 0.3309859 0.3309859 -0.0000000), wk = 0.0025974 k( 128) = ( 0.3239437 0.3239437 -0.0000000), wk = 0.0025974 k( 129) = ( 0.3169014 0.3169014 -0.0000000), wk = 0.0025974 k( 130) = ( 0.3098592 0.3098591 -0.0000000), wk = 0.0025974 k( 131) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0025974 k( 132) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0025974 k( 133) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0025974 k( 134) = ( 0.2816901 0.2816901 -0.0000000), wk = 0.0025974 k( 135) = ( 0.2746479 0.2746479 -0.0000000), wk = 0.0025974 k( 136) = ( 0.2676056 0.2676056 -0.0000000), wk = 0.0025974 k( 137) = ( 0.2605634 0.2605634 -0.0000000), wk = 0.0025974 k( 138) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0025974 k( 139) = ( 0.2464789 0.2464789 -0.0000000), wk = 0.0025974 k( 140) = ( 0.2394366 0.2394366 -0.0000000), wk = 0.0025974 k( 141) = ( 0.2323944 0.2323944 -0.0000000), wk = 0.0025974 k( 142) = ( 0.2253521 0.2253521 -0.0000000), wk = 0.0025974 k( 143) = ( 0.2183099 0.2183099 -0.0000000), wk = 0.0025974 k( 144) = ( 0.2112676 0.2112676 -0.0000000), wk = 0.0025974 k( 145) = ( 0.2042253 0.2042253 -0.0000000), wk = 0.0025974 k( 146) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0025974 k( 147) = ( 0.1901409 0.1901408 -0.0000000), wk = 0.0025974 k( 148) = ( 0.1830986 0.1830986 -0.0000000), wk = 0.0025974 k( 149) = ( 0.1760563 0.1760563 -0.0000000), wk = 0.0025974 k( 150) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0025974 k( 151) = ( 0.1619718 0.1619718 -0.0000000), wk = 0.0025974 k( 152) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0025974 k( 153) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0025974 k( 154) = ( 0.1408451 0.1408451 -0.0000000), wk = 0.0025974 k( 155) = ( 0.1338028 0.1338028 -0.0000000), wk = 0.0025974 k( 156) = ( 0.1267606 0.1267606 -0.0000000), wk = 0.0025974 k( 157) = ( 0.1197183 0.1197183 -0.0000000), wk = 0.0025974 k( 158) = ( 0.1126761 0.1126761 -0.0000000), wk = 0.0025974 k( 159) = ( 0.1056338 0.1056338 -0.0000000), wk = 0.0025974 k( 160) = ( 0.0985916 0.0985915 -0.0000000), wk = 0.0025974 k( 161) = ( 0.0915493 0.0915493 -0.0000000), wk = 0.0025974 k( 162) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0025974 k( 163) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0025974 k( 164) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0025974 k( 165) = ( 0.0633803 0.0633803 -0.0000000), wk = 0.0025974 k( 166) = ( 0.0563380 0.0563380 -0.0000000), wk = 0.0025974 k( 167) = ( 0.0492958 0.0492958 -0.0000000), wk = 0.0025974 k( 168) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0025974 k( 169) = ( 0.0352113 0.0352113 -0.0000000), wk = 0.0025974 k( 170) = ( 0.0281690 0.0281690 -0.0000000), wk = 0.0025974 k( 171) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0025974 k( 172) = ( 0.0140845 0.0140845 -0.0000000), wk = 0.0025974 k( 173) = ( 0.0070422 0.0070422 -0.0000000), wk = 0.0025974 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 176) = ( 0.0057471 0.0057471 0.0057471), wk = 0.0025974 k( 177) = ( 0.0114942 0.0114942 0.0114942), wk = 0.0025974 k( 178) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0025974 k( 179) = ( 0.0229885 0.0229885 0.0229885), wk = 0.0025974 k( 180) = ( 0.0287356 0.0287356 0.0287356), wk = 0.0025974 k( 181) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0025974 k( 182) = ( 0.0402299 0.0402299 0.0402299), wk = 0.0025974 k( 183) = ( 0.0459770 0.0459770 0.0459770), wk = 0.0025974 k( 184) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0025974 k( 185) = ( 0.0574713 0.0574713 0.0574713), wk = 0.0025974 k( 186) = ( 0.0632184 0.0632184 0.0632184), wk = 0.0025974 k( 187) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0025974 k( 188) = ( 0.0747126 0.0747126 0.0747126), wk = 0.0025974 k( 189) = ( 0.0804598 0.0804598 0.0804598), wk = 0.0025974 k( 190) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0025974 k( 191) = ( 0.0919540 0.0919540 0.0919540), wk = 0.0025974 k( 192) = ( 0.0977012 0.0977011 0.0977011), wk = 0.0025974 k( 193) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0025974 k( 194) = ( 0.1091954 0.1091954 0.1091954), wk = 0.0025974 k( 195) = ( 0.1149425 0.1149425 0.1149425), wk = 0.0025974 k( 196) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0025974 k( 197) = ( 0.1264368 0.1264368 0.1264368), wk = 0.0025974 k( 198) = ( 0.1321839 0.1321839 0.1321839), wk = 0.0025974 k( 199) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0025974 k( 200) = ( 0.1436782 0.1436782 0.1436782), wk = 0.0025974 k( 201) = ( 0.1494253 0.1494253 0.1494253), wk = 0.0025974 k( 202) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0025974 k( 203) = ( 0.1609195 0.1609195 0.1609195), wk = 0.0025974 k( 204) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0025974 k( 205) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0025974 k( 206) = ( 0.1781609 0.1781609 0.1781609), wk = 0.0025974 k( 207) = ( 0.1839080 0.1839080 0.1839080), wk = 0.0025974 k( 208) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0025974 k( 209) = ( 0.1954023 0.1954023 0.1954023), wk = 0.0025974 k( 210) = ( 0.2011494 0.2011494 0.2011494), wk = 0.0025974 k( 211) = ( 0.2068966 0.2068965 0.2068965), wk = 0.0025974 k( 212) = ( 0.2126437 0.2126437 0.2126437), wk = 0.0025974 k( 213) = ( 0.2183908 0.2183908 0.2183908), wk = 0.0025974 k( 214) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0025974 k( 215) = ( 0.2298851 0.2298851 0.2298851), wk = 0.0025974 k( 216) = ( 0.2356322 0.2356322 0.2356322), wk = 0.0025974 k( 217) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0025974 k( 218) = ( 0.2471264 0.2471264 0.2471264), wk = 0.0025974 k( 219) = ( 0.2528736 0.2528736 0.2528736), wk = 0.0025974 k( 220) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0025974 k( 221) = ( 0.2643678 0.2643678 0.2643678), wk = 0.0025974 k( 222) = ( 0.2701149 0.2701149 0.2701149), wk = 0.0025974 k( 223) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0025974 k( 224) = ( 0.2816092 0.2816092 0.2816092), wk = 0.0025974 k( 225) = ( 0.2873563 0.2873563 0.2873563), wk = 0.0025974 k( 226) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0025974 k( 227) = ( 0.2988506 0.2988506 0.2988506), wk = 0.0025974 k( 228) = ( 0.3045977 0.3045977 0.3045977), wk = 0.0025974 k( 229) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0025974 k( 230) = ( 0.3160920 0.3160919 0.3160919), wk = 0.0025974 k( 231) = ( 0.3218391 0.3218391 0.3218391), wk = 0.0025974 k( 232) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0025974 k( 233) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025974 k( 234) = ( 0.3390805 0.3390805 0.3390805), wk = 0.0025974 k( 235) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0025974 k( 236) = ( 0.3505747 0.3505747 0.3505747), wk = 0.0025974 k( 237) = ( 0.3563218 0.3563218 0.3563218), wk = 0.0025974 k( 238) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0025974 k( 239) = ( 0.3678161 0.3678161 0.3678161), wk = 0.0025974 k( 240) = ( 0.3735632 0.3735632 0.3735632), wk = 0.0025974 k( 241) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0025974 k( 242) = ( 0.3850575 0.3850575 0.3850575), wk = 0.0025974 k( 243) = ( 0.3908046 0.3908046 0.3908046), wk = 0.0025974 k( 244) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0025974 k( 245) = ( 0.4022988 0.4022988 0.4022988), wk = 0.0025974 k( 246) = ( 0.4080460 0.4080460 0.4080460), wk = 0.0025974 k( 247) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0025974 k( 248) = ( 0.4195402 0.4195402 0.4195402), wk = 0.0025974 k( 249) = ( 0.4252874 0.4252874 0.4252874), wk = 0.0025974 k( 250) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0025974 k( 251) = ( 0.4367816 0.4367816 0.4367816), wk = 0.0025974 k( 252) = ( 0.4425287 0.4425287 0.4425287), wk = 0.0025974 k( 253) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0025974 k( 254) = ( 0.4540230 0.4540230 0.4540230), wk = 0.0025974 k( 255) = ( 0.4597701 0.4597701 0.4597701), wk = 0.0025974 k( 256) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0025974 k( 257) = ( 0.4712644 0.4712644 0.4712644), wk = 0.0025974 k( 258) = ( 0.4770115 0.4770115 0.4770115), wk = 0.0025974 k( 259) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0025974 k( 260) = ( 0.4885058 0.4885057 0.4885057), wk = 0.0025974 k( 261) = ( 0.4942529 0.4942529 0.4942529), wk = 0.0025974 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 264) = ( 0.4929577 0.5000000 0.4929577), wk = 0.0025974 k( 265) = ( 0.4859155 0.5000000 0.4859155), wk = 0.0025974 k( 266) = ( 0.4788732 0.5000000 0.4788732), wk = 0.0025974 k( 267) = ( 0.4718310 0.5000000 0.4718310), wk = 0.0025974 k( 268) = ( 0.4647887 0.5000000 0.4647887), wk = 0.0025974 k( 269) = ( 0.4577465 0.5000000 0.4577465), wk = 0.0025974 k( 270) = ( 0.4507042 0.5000000 0.4507042), wk = 0.0025974 k( 271) = ( 0.4436620 0.5000000 0.4436620), wk = 0.0025974 k( 272) = ( 0.4366197 0.5000000 0.4366197), wk = 0.0025974 k( 273) = ( 0.4295775 0.5000000 0.4295775), wk = 0.0025974 k( 274) = ( 0.4225352 0.5000000 0.4225352), wk = 0.0025974 k( 275) = ( 0.4154930 0.5000000 0.4154930), wk = 0.0025974 k( 276) = ( 0.4084507 0.5000000 0.4084507), wk = 0.0025974 k( 277) = ( 0.4014085 0.5000000 0.4014084), wk = 0.0025974 k( 278) = ( 0.3943662 0.5000000 0.3943662), wk = 0.0025974 k( 279) = ( 0.3873239 0.5000000 0.3873239), wk = 0.0025974 k( 280) = ( 0.3802817 0.5000000 0.3802817), wk = 0.0025974 k( 281) = ( 0.3732394 0.5000000 0.3732394), wk = 0.0025974 k( 282) = ( 0.3661972 0.5000000 0.3661972), wk = 0.0025974 k( 283) = ( 0.3591549 0.5000000 0.3591549), wk = 0.0025974 k( 284) = ( 0.3521127 0.5000000 0.3521127), wk = 0.0025974 k( 285) = ( 0.3450704 0.5000000 0.3450704), wk = 0.0025974 k( 286) = ( 0.3380282 0.5000000 0.3380282), wk = 0.0025974 k( 287) = ( 0.3309859 0.5000000 0.3309859), wk = 0.0025974 k( 288) = ( 0.3239437 0.5000000 0.3239437), wk = 0.0025974 k( 289) = ( 0.3169014 0.5000000 0.3169014), wk = 0.0025974 k( 290) = ( 0.3098592 0.5000000 0.3098591), wk = 0.0025974 k( 291) = ( 0.3028169 0.5000000 0.3028169), wk = 0.0025974 k( 292) = ( 0.2957746 0.5000000 0.2957746), wk = 0.0025974 k( 293) = ( 0.2887324 0.5000000 0.2887324), wk = 0.0025974 k( 294) = ( 0.2816901 0.5000000 0.2816901), wk = 0.0025974 k( 295) = ( 0.2746479 0.5000000 0.2746479), wk = 0.0025974 k( 296) = ( 0.2676056 0.5000000 0.2676056), wk = 0.0025974 k( 297) = ( 0.2605634 0.5000000 0.2605634), wk = 0.0025974 k( 298) = ( 0.2535211 0.5000000 0.2535211), wk = 0.0025974 k( 299) = ( 0.2464789 0.5000000 0.2464789), wk = 0.0025974 k( 300) = ( 0.2394366 0.5000000 0.2394366), wk = 0.0025974 k( 301) = ( 0.2323944 0.5000000 0.2323944), wk = 0.0025974 k( 302) = ( 0.2253521 0.5000000 0.2253521), wk = 0.0025974 k( 303) = ( 0.2183099 0.5000000 0.2183099), wk = 0.0025974 k( 304) = ( 0.2112676 0.5000000 0.2112676), wk = 0.0025974 k( 305) = ( 0.2042253 0.5000000 0.2042253), wk = 0.0025974 k( 306) = ( 0.1971831 0.5000000 0.1971831), wk = 0.0025974 k( 307) = ( 0.1901409 0.5000000 0.1901408), wk = 0.0025974 k( 308) = ( 0.1830986 0.5000000 0.1830986), wk = 0.0025974 k( 309) = ( 0.1760563 0.5000000 0.1760563), wk = 0.0025974 k( 310) = ( 0.1690141 0.5000000 0.1690141), wk = 0.0025974 k( 311) = ( 0.1619718 0.5000000 0.1619718), wk = 0.0025974 k( 312) = ( 0.1549296 0.5000000 0.1549296), wk = 0.0025974 k( 313) = ( 0.1478873 0.5000000 0.1478873), wk = 0.0025974 k( 314) = ( 0.1408451 0.5000000 0.1408451), wk = 0.0025974 k( 315) = ( 0.1338028 0.5000000 0.1338028), wk = 0.0025974 k( 316) = ( 0.1267606 0.5000000 0.1267606), wk = 0.0025974 k( 317) = ( 0.1197183 0.5000000 0.1197183), wk = 0.0025974 k( 318) = ( 0.1126761 0.5000000 0.1126761), wk = 0.0025974 k( 319) = ( 0.1056338 0.5000000 0.1056338), wk = 0.0025974 k( 320) = ( 0.0985916 0.5000000 0.0985915), wk = 0.0025974 k( 321) = ( 0.0915493 0.5000000 0.0915493), wk = 0.0025974 k( 322) = ( 0.0845070 0.5000000 0.0845070), wk = 0.0025974 k( 323) = ( 0.0774648 0.5000000 0.0774648), wk = 0.0025974 k( 324) = ( 0.0704225 0.5000000 0.0704225), wk = 0.0025974 k( 325) = ( 0.0633803 0.5000000 0.0633803), wk = 0.0025974 k( 326) = ( 0.0563380 0.5000000 0.0563380), wk = 0.0025974 k( 327) = ( 0.0492958 0.5000000 0.0492958), wk = 0.0025974 k( 328) = ( 0.0422535 0.5000000 0.0422535), wk = 0.0025974 k( 329) = ( 0.0352113 0.5000000 0.0352113), wk = 0.0025974 k( 330) = ( 0.0281690 0.5000000 0.0281690), wk = 0.0025974 k( 331) = ( 0.0211268 0.5000000 0.0211268), wk = 0.0025974 k( 332) = ( 0.0140845 0.5000000 0.0140845), wk = 0.0025974 k( 333) = ( 0.0070422 0.5000000 0.0070422), wk = 0.0025974 k( 334) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025974 k( 335) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025974 k( 336) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0025974 k( 337) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0025974 k( 338) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0025974 k( 339) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0025974 k( 340) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0025974 k( 341) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0025974 k( 342) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0025974 k( 343) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0025974 k( 344) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0025974 k( 345) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0025974 k( 346) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0025974 k( 347) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0025974 k( 348) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0025974 k( 349) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0025974 k( 350) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0025974 k( 351) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0025974 k( 352) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0025974 k( 353) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0025974 k( 354) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0025974 k( 355) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0025974 k( 356) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0025974 k( 357) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0025974 k( 358) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0025974 k( 359) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0025974 k( 360) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025974 k( 361) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0025974 k( 362) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0025974 k( 363) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0025974 k( 364) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0025974 k( 365) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0025974 k( 366) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0025974 k( 367) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0025974 k( 368) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0025974 k( 369) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0025974 k( 370) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0025974 k( 371) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0025974 k( 372) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0025974 k( 373) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0025974 k( 374) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0025974 k( 375) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0025974 k( 376) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0025974 k( 377) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0025974 k( 378) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0025974 k( 379) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0025974 k( 380) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0025974 k( 381) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0025974 k( 382) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0025974 k( 383) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0025974 k( 384) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0025974 k( 385) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 2) = ( 0.0000000 0.0100000 0.0000000), wk = 0.0025974 k( 3) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0025974 k( 4) = ( 0.0000000 0.0300000 0.0000000), wk = 0.0025974 k( 5) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0025974 k( 6) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0025974 k( 7) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0025974 k( 8) = ( 0.0000000 0.0700000 0.0000000), wk = 0.0025974 k( 9) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0025974 k( 10) = ( 0.0000000 0.0900000 0.0000000), wk = 0.0025974 k( 11) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0025974 k( 12) = ( 0.0000000 0.1100000 0.0000000), wk = 0.0025974 k( 13) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0025974 k( 14) = ( 0.0000000 0.1300000 0.0000000), wk = 0.0025974 k( 15) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0025974 k( 16) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0025974 k( 17) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0025974 k( 18) = ( 0.0000000 0.1700000 0.0000000), wk = 0.0025974 k( 19) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0025974 k( 20) = ( 0.0000000 0.1900000 0.0000000), wk = 0.0025974 k( 21) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0025974 k( 22) = ( 0.0000000 0.2100000 0.0000000), wk = 0.0025974 k( 23) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0025974 k( 24) = ( 0.0000000 0.2300000 0.0000000), wk = 0.0025974 k( 25) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0025974 k( 26) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025974 k( 27) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0025974 k( 28) = ( 0.0000000 0.2700000 0.0000000), wk = 0.0025974 k( 29) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0025974 k( 30) = ( 0.0000000 0.2900000 0.0000000), wk = 0.0025974 k( 31) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0025974 k( 32) = ( 0.0000000 0.3100000 0.0000000), wk = 0.0025974 k( 33) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0025974 k( 34) = ( 0.0000000 0.3300000 0.0000000), wk = 0.0025974 k( 35) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0025974 k( 36) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0025974 k( 37) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0025974 k( 38) = ( 0.0000000 0.3700000 0.0000000), wk = 0.0025974 k( 39) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0025974 k( 40) = ( 0.0000000 0.3900000 0.0000000), wk = 0.0025974 k( 41) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0025974 k( 42) = ( 0.0000000 0.4100000 0.0000000), wk = 0.0025974 k( 43) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0025974 k( 44) = ( 0.0000000 0.4300000 0.0000000), wk = 0.0025974 k( 45) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0025974 k( 46) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0025974 k( 47) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0025974 k( 48) = ( 0.0000000 0.4700000 0.0000000), wk = 0.0025974 k( 49) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0025974 k( 50) = ( 0.0000000 0.4900000 0.0000000), wk = 0.0025974 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025974 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025974 k( 53) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0025974 k( 54) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0025974 k( 55) = ( 0.0300000 0.5000000 0.0000000), wk = 0.0025974 k( 56) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0025974 k( 57) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0025974 k( 58) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0025974 k( 59) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0025974 k( 60) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0025974 k( 61) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0025974 k( 62) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0025974 k( 63) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0025974 k( 64) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0025974 k( 65) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0025974 k( 66) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0025974 k( 67) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0025974 k( 68) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0025974 k( 69) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0025974 k( 70) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0025974 k( 71) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0025974 k( 72) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0025974 k( 73) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0025974 k( 74) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0025974 k( 75) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0025974 k( 76) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0025974 k( 77) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025974 k( 78) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0025974 k( 79) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0025974 k( 80) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0025974 k( 81) = ( 0.2900000 0.5000000 0.0000000), wk = 0.0025974 k( 82) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0025974 k( 83) = ( 0.3100000 0.5000000 0.0000000), wk = 0.0025974 k( 84) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0025974 k( 85) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0025974 k( 86) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0025974 k( 87) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0025974 k( 88) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0025974 k( 89) = ( 0.3700000 0.5000000 0.0000000), wk = 0.0025974 k( 90) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0025974 k( 91) = ( 0.3900000 0.5000000 0.0000000), wk = 0.0025974 k( 92) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0025974 k( 93) = ( 0.4100000 0.5000000 0.0000000), wk = 0.0025974 k( 94) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0025974 k( 95) = ( 0.4300000 0.5000000 0.0000000), wk = 0.0025974 k( 96) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0025974 k( 97) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0025974 k( 98) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0025974 k( 99) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0025974 k( 100) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0025974 k( 101) = ( 0.4900000 0.5000000 0.0000000), wk = 0.0025974 k( 102) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025974 k( 103) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025974 k( 104) = ( 0.4929577 0.4929577 0.0000000), wk = 0.0025974 k( 105) = ( 0.4859155 0.4859155 0.0000000), wk = 0.0025974 k( 106) = ( 0.4788732 0.4788732 0.0000000), wk = 0.0025974 k( 107) = ( 0.4718310 0.4718310 0.0000000), wk = 0.0025974 k( 108) = ( 0.4647887 0.4647887 0.0000000), wk = 0.0025974 k( 109) = ( 0.4577465 0.4577465 0.0000000), wk = 0.0025974 k( 110) = ( 0.4507042 0.4507042 0.0000000), wk = 0.0025974 k( 111) = ( 0.4436620 0.4436620 0.0000000), wk = 0.0025974 k( 112) = ( 0.4366197 0.4366197 0.0000000), wk = 0.0025974 k( 113) = ( 0.4295775 0.4295775 0.0000000), wk = 0.0025974 k( 114) = ( 0.4225352 0.4225352 0.0000000), wk = 0.0025974 k( 115) = ( 0.4154930 0.4154930 0.0000000), wk = 0.0025974 k( 116) = ( 0.4084507 0.4084507 0.0000000), wk = 0.0025974 k( 117) = ( 0.4014085 0.4014085 0.0000000), wk = 0.0025974 k( 118) = ( 0.3943662 0.3943662 0.0000000), wk = 0.0025974 k( 119) = ( 0.3873239 0.3873239 0.0000000), wk = 0.0025974 k( 120) = ( 0.3802817 0.3802817 -0.0000000), wk = 0.0025974 k( 121) = ( 0.3732394 0.3732394 0.0000000), wk = 0.0025974 k( 122) = ( 0.3661972 0.3661972 0.0000000), wk = 0.0025974 k( 123) = ( 0.3591549 0.3591549 0.0000000), wk = 0.0025974 k( 124) = ( 0.3521127 0.3521127 0.0000000), wk = 0.0025974 k( 125) = ( 0.3450704 0.3450704 0.0000000), wk = 0.0025974 k( 126) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0025974 k( 127) = ( 0.3309859 0.3309859 0.0000000), wk = 0.0025974 k( 128) = ( 0.3239437 0.3239437 0.0000000), wk = 0.0025974 k( 129) = ( 0.3169014 0.3169014 0.0000000), wk = 0.0025974 k( 130) = ( 0.3098592 0.3098592 0.0000000), wk = 0.0025974 k( 131) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0025974 k( 132) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0025974 k( 133) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0025974 k( 134) = ( 0.2816901 0.2816901 0.0000000), wk = 0.0025974 k( 135) = ( 0.2746479 0.2746479 0.0000000), wk = 0.0025974 k( 136) = ( 0.2676056 0.2676056 0.0000000), wk = 0.0025974 k( 137) = ( 0.2605634 0.2605634 0.0000000), wk = 0.0025974 k( 138) = ( 0.2535211 0.2535211 0.0000000), wk = 0.0025974 k( 139) = ( 0.2464789 0.2464789 0.0000000), wk = 0.0025974 k( 140) = ( 0.2394366 0.2394366 0.0000000), wk = 0.0025974 k( 141) = ( 0.2323944 0.2323944 0.0000000), wk = 0.0025974 k( 142) = ( 0.2253521 0.2253521 0.0000000), wk = 0.0025974 k( 143) = ( 0.2183099 0.2183099 0.0000000), wk = 0.0025974 k( 144) = ( 0.2112676 0.2112676 0.0000000), wk = 0.0025974 k( 145) = ( 0.2042253 0.2042253 0.0000000), wk = 0.0025974 k( 146) = ( 0.1971831 0.1971831 0.0000000), wk = 0.0025974 k( 147) = ( 0.1901409 0.1901409 0.0000000), wk = 0.0025974 k( 148) = ( 0.1830986 0.1830986 0.0000000), wk = 0.0025974 k( 149) = ( 0.1760563 0.1760563 0.0000000), wk = 0.0025974 k( 150) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0025974 k( 151) = ( 0.1619718 0.1619718 0.0000000), wk = 0.0025974 k( 152) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0025974 k( 153) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0025974 k( 154) = ( 0.1408451 0.1408451 0.0000000), wk = 0.0025974 k( 155) = ( 0.1338028 0.1338028 0.0000000), wk = 0.0025974 k( 156) = ( 0.1267606 0.1267606 0.0000000), wk = 0.0025974 k( 157) = ( 0.1197183 0.1197183 0.0000000), wk = 0.0025974 k( 158) = ( 0.1126761 0.1126761 0.0000000), wk = 0.0025974 k( 159) = ( 0.1056338 0.1056338 0.0000000), wk = 0.0025974 k( 160) = ( 0.0985916 0.0985916 0.0000000), wk = 0.0025974 k( 161) = ( 0.0915493 0.0915493 0.0000000), wk = 0.0025974 k( 162) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0025974 k( 163) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0025974 k( 164) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0025974 k( 165) = ( 0.0633803 0.0633803 0.0000000), wk = 0.0025974 k( 166) = ( 0.0563380 0.0563380 0.0000000), wk = 0.0025974 k( 167) = ( 0.0492958 0.0492958 0.0000000), wk = 0.0025974 k( 168) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0025974 k( 169) = ( 0.0352113 0.0352113 -0.0000000), wk = 0.0025974 k( 170) = ( 0.0281690 0.0281690 0.0000000), wk = 0.0025974 k( 171) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0025974 k( 172) = ( 0.0140845 0.0140845 0.0000000), wk = 0.0025974 k( 173) = ( 0.0070422 0.0070422 0.0000000), wk = 0.0025974 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 176) = ( 0.0057471 0.0057471 0.0057471), wk = 0.0025974 k( 177) = ( 0.0114942 0.0114942 0.0114942), wk = 0.0025974 k( 178) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0025974 k( 179) = ( 0.0229885 0.0229885 0.0229885), wk = 0.0025974 k( 180) = ( 0.0287356 0.0287356 0.0287356), wk = 0.0025974 k( 181) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0025974 k( 182) = ( 0.0402299 0.0402299 0.0402299), wk = 0.0025974 k( 183) = ( 0.0459770 0.0459770 0.0459770), wk = 0.0025974 k( 184) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0025974 k( 185) = ( 0.0574713 0.0574713 0.0574713), wk = 0.0025974 k( 186) = ( 0.0632184 0.0632184 0.0632184), wk = 0.0025974 k( 187) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0025974 k( 188) = ( 0.0747126 0.0747126 0.0747126), wk = 0.0025974 k( 189) = ( 0.0804598 0.0804598 0.0804598), wk = 0.0025974 k( 190) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0025974 k( 191) = ( 0.0919540 0.0919540 0.0919540), wk = 0.0025974 k( 192) = ( 0.0977012 0.0977012 0.0977012), wk = 0.0025974 k( 193) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0025974 k( 194) = ( 0.1091954 0.1091954 0.1091954), wk = 0.0025974 k( 195) = ( 0.1149425 0.1149425 0.1149425), wk = 0.0025974 k( 196) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0025974 k( 197) = ( 0.1264368 0.1264368 0.1264368), wk = 0.0025974 k( 198) = ( 0.1321839 0.1321839 0.1321839), wk = 0.0025974 k( 199) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0025974 k( 200) = ( 0.1436782 0.1436782 0.1436782), wk = 0.0025974 k( 201) = ( 0.1494253 0.1494253 0.1494253), wk = 0.0025974 k( 202) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0025974 k( 203) = ( 0.1609195 0.1609195 0.1609195), wk = 0.0025974 k( 204) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0025974 k( 205) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0025974 k( 206) = ( 0.1781609 0.1781609 0.1781609), wk = 0.0025974 k( 207) = ( 0.1839080 0.1839080 0.1839080), wk = 0.0025974 k( 208) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0025974 k( 209) = ( 0.1954023 0.1954023 0.1954023), wk = 0.0025974 k( 210) = ( 0.2011494 0.2011494 0.2011494), wk = 0.0025974 k( 211) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0025974 k( 212) = ( 0.2126437 0.2126437 0.2126437), wk = 0.0025974 k( 213) = ( 0.2183908 0.2183908 0.2183908), wk = 0.0025974 k( 214) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0025974 k( 215) = ( 0.2298851 0.2298851 0.2298851), wk = 0.0025974 k( 216) = ( 0.2356322 0.2356322 0.2356322), wk = 0.0025974 k( 217) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0025974 k( 218) = ( 0.2471264 0.2471264 0.2471264), wk = 0.0025974 k( 219) = ( 0.2528736 0.2528736 0.2528736), wk = 0.0025974 k( 220) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0025974 k( 221) = ( 0.2643678 0.2643678 0.2643678), wk = 0.0025974 k( 222) = ( 0.2701149 0.2701149 0.2701149), wk = 0.0025974 k( 223) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0025974 k( 224) = ( 0.2816092 0.2816092 0.2816092), wk = 0.0025974 k( 225) = ( 0.2873563 0.2873563 0.2873563), wk = 0.0025974 k( 226) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0025974 k( 227) = ( 0.2988506 0.2988506 0.2988506), wk = 0.0025974 k( 228) = ( 0.3045977 0.3045977 0.3045977), wk = 0.0025974 k( 229) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0025974 k( 230) = ( 0.3160920 0.3160920 0.3160920), wk = 0.0025974 k( 231) = ( 0.3218391 0.3218391 0.3218391), wk = 0.0025974 k( 232) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0025974 k( 233) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025974 k( 234) = ( 0.3390805 0.3390805 0.3390805), wk = 0.0025974 k( 235) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0025974 k( 236) = ( 0.3505747 0.3505747 0.3505747), wk = 0.0025974 k( 237) = ( 0.3563218 0.3563218 0.3563218), wk = 0.0025974 k( 238) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0025974 k( 239) = ( 0.3678161 0.3678161 0.3678161), wk = 0.0025974 k( 240) = ( 0.3735632 0.3735632 0.3735632), wk = 0.0025974 k( 241) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0025974 k( 242) = ( 0.3850575 0.3850575 0.3850575), wk = 0.0025974 k( 243) = ( 0.3908046 0.3908046 0.3908046), wk = 0.0025974 k( 244) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0025974 k( 245) = ( 0.4022988 0.4022988 0.4022988), wk = 0.0025974 k( 246) = ( 0.4080460 0.4080460 0.4080460), wk = 0.0025974 k( 247) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0025974 k( 248) = ( 0.4195402 0.4195402 0.4195402), wk = 0.0025974 k( 249) = ( 0.4252874 0.4252874 0.4252874), wk = 0.0025974 k( 250) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0025974 k( 251) = ( 0.4367816 0.4367816 0.4367816), wk = 0.0025974 k( 252) = ( 0.4425287 0.4425287 0.4425287), wk = 0.0025974 k( 253) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0025974 k( 254) = ( 0.4540230 0.4540230 0.4540230), wk = 0.0025974 k( 255) = ( 0.4597701 0.4597701 0.4597701), wk = 0.0025974 k( 256) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0025974 k( 257) = ( 0.4712644 0.4712644 0.4712644), wk = 0.0025974 k( 258) = ( 0.4770115 0.4770115 0.4770115), wk = 0.0025974 k( 259) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0025974 k( 260) = ( 0.4885058 0.4885058 0.4885058), wk = 0.0025974 k( 261) = ( 0.4942529 0.4942529 0.4942529), wk = 0.0025974 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 264) = ( 0.4929577 0.5000000 0.4929577), wk = 0.0025974 k( 265) = ( 0.4859155 0.5000000 0.4859155), wk = 0.0025974 k( 266) = ( 0.4788732 0.5000000 0.4788732), wk = 0.0025974 k( 267) = ( 0.4718310 0.5000000 0.4718310), wk = 0.0025974 k( 268) = ( 0.4647887 0.5000000 0.4647887), wk = 0.0025974 k( 269) = ( 0.4577465 0.5000000 0.4577465), wk = 0.0025974 k( 270) = ( 0.4507042 0.5000000 0.4507042), wk = 0.0025974 k( 271) = ( 0.4436620 0.5000000 0.4436620), wk = 0.0025974 k( 272) = ( 0.4366197 0.5000000 0.4366197), wk = 0.0025974 k( 273) = ( 0.4295775 0.5000000 0.4295775), wk = 0.0025974 k( 274) = ( 0.4225352 0.5000000 0.4225352), wk = 0.0025974 k( 275) = ( 0.4154930 0.5000000 0.4154930), wk = 0.0025974 k( 276) = ( 0.4084507 0.5000000 0.4084507), wk = 0.0025974 k( 277) = ( 0.4014085 0.5000000 0.4014085), wk = 0.0025974 k( 278) = ( 0.3943662 0.5000000 0.3943662), wk = 0.0025974 k( 279) = ( 0.3873239 0.5000000 0.3873239), wk = 0.0025974 k( 280) = ( 0.3802817 0.5000000 0.3802817), wk = 0.0025974 k( 281) = ( 0.3732394 0.5000000 0.3732394), wk = 0.0025974 k( 282) = ( 0.3661972 0.5000000 0.3661972), wk = 0.0025974 k( 283) = ( 0.3591549 0.5000000 0.3591549), wk = 0.0025974 k( 284) = ( 0.3521127 0.5000000 0.3521127), wk = 0.0025974 k( 285) = ( 0.3450704 0.5000000 0.3450704), wk = 0.0025974 k( 286) = ( 0.3380282 0.5000000 0.3380282), wk = 0.0025974 k( 287) = ( 0.3309859 0.5000000 0.3309859), wk = 0.0025974 k( 288) = ( 0.3239437 0.5000000 0.3239437), wk = 0.0025974 k( 289) = ( 0.3169014 0.5000000 0.3169014), wk = 0.0025974 k( 290) = ( 0.3098592 0.5000000 0.3098592), wk = 0.0025974 k( 291) = ( 0.3028169 0.5000000 0.3028169), wk = 0.0025974 k( 292) = ( 0.2957746 0.5000000 0.2957746), wk = 0.0025974 k( 293) = ( 0.2887324 0.5000000 0.2887324), wk = 0.0025974 k( 294) = ( 0.2816901 0.5000000 0.2816901), wk = 0.0025974 k( 295) = ( 0.2746479 0.5000000 0.2746479), wk = 0.0025974 k( 296) = ( 0.2676056 0.5000000 0.2676056), wk = 0.0025974 k( 297) = ( 0.2605634 0.5000000 0.2605634), wk = 0.0025974 k( 298) = ( 0.2535211 0.5000000 0.2535211), wk = 0.0025974 k( 299) = ( 0.2464789 0.5000000 0.2464789), wk = 0.0025974 k( 300) = ( 0.2394366 0.5000000 0.2394366), wk = 0.0025974 k( 301) = ( 0.2323944 0.5000000 0.2323944), wk = 0.0025974 k( 302) = ( 0.2253521 0.5000000 0.2253521), wk = 0.0025974 k( 303) = ( 0.2183099 0.5000000 0.2183099), wk = 0.0025974 k( 304) = ( 0.2112676 0.5000000 0.2112676), wk = 0.0025974 k( 305) = ( 0.2042253 0.5000000 0.2042253), wk = 0.0025974 k( 306) = ( 0.1971831 0.5000000 0.1971831), wk = 0.0025974 k( 307) = ( 0.1901409 0.5000000 0.1901409), wk = 0.0025974 k( 308) = ( 0.1830986 0.5000000 0.1830986), wk = 0.0025974 k( 309) = ( 0.1760563 0.5000000 0.1760563), wk = 0.0025974 k( 310) = ( 0.1690141 0.5000000 0.1690141), wk = 0.0025974 k( 311) = ( 0.1619718 0.5000000 0.1619718), wk = 0.0025974 k( 312) = ( 0.1549296 0.5000000 0.1549296), wk = 0.0025974 k( 313) = ( 0.1478873 0.5000000 0.1478873), wk = 0.0025974 k( 314) = ( 0.1408451 0.5000000 0.1408451), wk = 0.0025974 k( 315) = ( 0.1338028 0.5000000 0.1338028), wk = 0.0025974 k( 316) = ( 0.1267606 0.5000000 0.1267606), wk = 0.0025974 k( 317) = ( 0.1197183 0.5000000 0.1197183), wk = 0.0025974 k( 318) = ( 0.1126761 0.5000000 0.1126761), wk = 0.0025974 k( 319) = ( 0.1056338 0.5000000 0.1056338), wk = 0.0025974 k( 320) = ( 0.0985916 0.5000000 0.0985916), wk = 0.0025974 k( 321) = ( 0.0915493 0.5000000 0.0915493), wk = 0.0025974 k( 322) = ( 0.0845070 0.5000000 0.0845070), wk = 0.0025974 k( 323) = ( 0.0774648 0.5000000 0.0774648), wk = 0.0025974 k( 324) = ( 0.0704225 0.5000000 0.0704225), wk = 0.0025974 k( 325) = ( 0.0633803 0.5000000 0.0633803), wk = 0.0025974 k( 326) = ( 0.0563380 0.5000000 0.0563380), wk = 0.0025974 k( 327) = ( 0.0492958 0.5000000 0.0492958), wk = 0.0025974 k( 328) = ( 0.0422535 0.5000000 0.0422535), wk = 0.0025974 k( 329) = ( 0.0352113 0.5000000 0.0352113), wk = 0.0025974 k( 330) = ( 0.0281690 0.5000000 0.0281690), wk = 0.0025974 k( 331) = ( 0.0211268 0.5000000 0.0211268), wk = 0.0025974 k( 332) = ( 0.0140845 0.5000000 0.0140845), wk = 0.0025974 k( 333) = ( 0.0070422 0.5000000 0.0070422), wk = 0.0025974 k( 334) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025974 k( 335) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025974 k( 336) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0025974 k( 337) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0025974 k( 338) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0025974 k( 339) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0025974 k( 340) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0025974 k( 341) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0025974 k( 342) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0025974 k( 343) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0025974 k( 344) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0025974 k( 345) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0025974 k( 346) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0025974 k( 347) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0025974 k( 348) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0025974 k( 349) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0025974 k( 350) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0025974 k( 351) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0025974 k( 352) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0025974 k( 353) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0025974 k( 354) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0025974 k( 355) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0025974 k( 356) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0025974 k( 357) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0025974 k( 358) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0025974 k( 359) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0025974 k( 360) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025974 k( 361) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0025974 k( 362) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0025974 k( 363) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0025974 k( 364) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0025974 k( 365) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0025974 k( 366) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0025974 k( 367) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0025974 k( 368) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0025974 k( 369) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0025974 k( 370) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0025974 k( 371) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0025974 k( 372) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0025974 k( 373) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0025974 k( 374) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0025974 k( 375) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0025974 k( 376) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0025974 k( 377) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0025974 k( 378) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0025974 k( 379) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0025974 k( 380) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0025974 k( 381) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0025974 k( 382) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0025974 k( 383) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0025974 k( 384) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0025974 k( 385) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 Dense grid: 28425 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 20341 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 146, 36) NL pseudopotentials 0.08 Mb ( 73, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 791) G-vector shells 0.00 Mb ( 207) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 146, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 68, 2, 36) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./ScCo.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 3.9 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.3 secs Computing kpt #: 12 total cpu time spent up to now is 4.4 secs Computing kpt #: 13 total cpu time spent up to now is 4.6 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 4.9 secs Computing kpt #: 16 total cpu time spent up to now is 5.1 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 5.9 secs Computing kpt #: 22 total cpu time spent up to now is 6.0 secs Computing kpt #: 23 total cpu time spent up to now is 6.2 secs Computing kpt #: 24 total cpu time spent up to now is 6.3 secs Computing kpt #: 25 total cpu time spent up to now is 6.5 secs Computing kpt #: 26 total cpu time spent up to now is 6.6 secs Computing kpt #: 27 total cpu time spent up to now is 6.8 secs Computing kpt #: 28 total cpu time spent up to now is 6.9 secs Computing kpt #: 29 total cpu time spent up to now is 7.1 secs Computing kpt #: 30 total cpu time spent up to now is 7.2 secs Computing kpt #: 31 total cpu time spent up to now is 7.4 secs Computing kpt #: 32 total cpu time spent up to now is 7.5 secs Computing kpt #: 33 total cpu time spent up to now is 7.7 secs Computing kpt #: 34 total cpu time spent up to now is 7.8 secs Computing kpt #: 35 total cpu time spent up to now is 8.0 secs Computing kpt #: 36 total cpu time spent up to now is 8.1 secs Computing kpt #: 37 total cpu time spent up to now is 8.3 secs Computing kpt #: 38 total cpu time spent up to now is 8.4 secs Computing kpt #: 39 total cpu time spent up to now is 8.6 secs Computing kpt #: 40 total cpu time spent up to now is 8.7 secs Computing kpt #: 41 total cpu time spent up to now is 8.9 secs Computing kpt #: 42 total cpu time spent up to now is 9.0 secs Computing kpt #: 43 total cpu time spent up to now is 9.2 secs Computing kpt #: 44 total cpu time spent up to now is 9.3 secs Computing kpt #: 45 total cpu time spent up to now is 9.5 secs Computing kpt #: 46 total cpu time spent up to now is 9.6 secs Computing kpt #: 47 total cpu time spent up to now is 9.7 secs Computing kpt #: 48 total cpu time spent up to now is 9.9 secs Computing kpt #: 49 total cpu time spent up to now is 10.0 secs Computing kpt #: 50 total cpu time spent up to now is 10.1 secs Computing kpt #: 51 total cpu time spent up to now is 10.2 secs Computing kpt #: 52 total cpu time spent up to now is 10.4 secs Computing kpt #: 53 total cpu time spent up to now is 10.5 secs Computing kpt #: 54 total cpu time spent up to now is 10.6 secs Computing kpt #: 55 total cpu time spent up to now is 10.7 secs Computing kpt #: 56 total cpu time spent up to now is 10.9 secs Computing kpt #: 57 total cpu time spent up to now is 11.0 secs Computing kpt #: 58 total cpu time spent up to now is 11.1 secs Computing kpt #: 59 total cpu time spent up to now is 11.3 secs Computing kpt #: 60 total cpu time spent up to now is 11.4 secs Computing kpt #: 61 total cpu time spent up to now is 11.5 secs Computing kpt #: 62 total cpu time spent up to now is 11.7 secs Computing kpt #: 63 total cpu time spent up to now is 11.8 secs Computing kpt #: 64 total cpu time spent up to now is 11.9 secs Computing kpt #: 65 total cpu time spent up to now is 12.1 secs Computing kpt #: 66 total cpu time spent up to now is 12.2 secs Computing kpt #: 67 total cpu time spent up to now is 12.4 secs Computing kpt #: 68 total cpu time spent up to now is 12.6 secs Computing kpt #: 69 total cpu time spent up to now is 12.7 secs Computing kpt #: 70 total cpu time spent up to now is 12.9 secs Computing kpt #: 71 total cpu time spent up to now is 13.0 secs Computing kpt #: 72 total cpu time spent up to now is 13.2 secs Computing kpt #: 73 total cpu time spent up to now is 13.4 secs Computing kpt #: 74 total cpu time spent up to now is 13.5 secs Computing kpt #: 75 total cpu time spent up to now is 13.7 secs Computing kpt #: 76 total cpu time spent up to now is 14.0 secs Computing kpt #: 77 total cpu time spent up to now is 14.3 secs Computing kpt #: 78 total cpu time spent up to now is 14.5 secs Computing kpt #: 79 total cpu time spent up to now is 14.7 secs Computing kpt #: 80 total cpu time spent up to now is 14.8 secs Computing kpt #: 81 total cpu time spent up to now is 15.0 secs Computing kpt #: 82 total cpu time spent up to now is 15.2 secs Computing kpt #: 83 total cpu time spent up to now is 15.4 secs Computing kpt #: 84 total cpu time spent up to now is 15.6 secs Computing kpt #: 85 total cpu time spent up to now is 15.7 secs Computing kpt #: 86 total cpu time spent up to now is 15.9 secs Computing kpt #: 87 total cpu time spent up to now is 16.1 secs Computing kpt #: 88 total cpu time spent up to now is 16.3 secs Computing kpt #: 89 total cpu time spent up to now is 16.4 secs Computing kpt #: 90 total cpu time spent up to now is 16.6 secs Computing kpt #: 91 total cpu time spent up to now is 16.8 secs Computing kpt #: 92 total cpu time spent up to now is 17.0 secs Computing kpt #: 93 total cpu time spent up to now is 17.1 secs Computing kpt #: 94 total cpu time spent up to now is 17.3 secs Computing kpt #: 95 total cpu time spent up to now is 17.5 secs Computing kpt #: 96 total cpu time spent up to now is 17.6 secs Computing kpt #: 97 total cpu time spent up to now is 17.8 secs Computing kpt #: 98 total cpu time spent up to now is 17.9 secs Computing kpt #: 99 total cpu time spent up to now is 18.1 secs Computing kpt #: 100 total cpu time spent up to now is 18.2 secs Computing kpt #: 101 total cpu time spent up to now is 18.4 secs Computing kpt #: 102 total cpu time spent up to now is 18.6 secs Computing kpt #: 103 total cpu time spent up to now is 18.8 secs Computing kpt #: 104 total cpu time spent up to now is 18.9 secs Computing kpt #: 105 total cpu time spent up to now is 19.1 secs Computing kpt #: 106 total cpu time spent up to now is 19.2 secs Computing kpt #: 107 total cpu time spent up to now is 19.4 secs Computing kpt #: 108 total cpu time spent up to now is 19.5 secs Computing kpt #: 109 total cpu time spent up to now is 19.7 secs Computing kpt #: 110 total cpu time spent up to now is 19.8 secs Computing kpt #: 111 total cpu time spent up to now is 20.0 secs Computing kpt #: 112 total cpu time spent up to now is 20.2 secs Computing kpt #: 113 total cpu time spent up to now is 20.3 secs Computing kpt #: 114 total cpu time spent up to now is 20.5 secs Computing kpt #: 115 total cpu time spent up to now is 20.6 secs Computing kpt #: 116 total cpu time spent up to now is 20.8 secs Computing kpt #: 117 total cpu time spent up to now is 21.0 secs Computing kpt #: 118 total cpu time spent up to now is 21.2 secs Computing kpt #: 119 total cpu time spent up to now is 21.4 secs Computing kpt #: 120 total cpu time spent up to now is 21.5 secs Computing kpt #: 121 total cpu time spent up to now is 21.7 secs Computing kpt #: 122 total cpu time spent up to now is 21.9 secs Computing kpt #: 123 total cpu time spent up to now is 22.0 secs Computing kpt #: 124 total cpu time spent up to now is 22.2 secs Computing kpt #: 125 total cpu time spent up to now is 22.4 secs Computing kpt #: 126 total cpu time spent up to now is 22.5 secs Computing kpt #: 127 total cpu time spent up to now is 22.7 secs Computing kpt #: 128 total cpu time spent up to now is 22.8 secs Computing kpt #: 129 total cpu time spent up to now is 23.0 secs Computing kpt #: 130 total cpu time spent up to now is 23.2 secs Computing kpt #: 131 total cpu time spent up to now is 23.3 secs Computing kpt #: 132 total cpu time spent up to now is 23.5 secs Computing kpt #: 133 total cpu time spent up to now is 23.6 secs Computing kpt #: 134 total cpu time spent up to now is 23.8 secs Computing kpt #: 135 total cpu time spent up to now is 23.9 secs Computing kpt #: 136 total cpu time spent up to now is 24.1 secs Computing kpt #: 137 total cpu time spent up to now is 24.2 secs Computing kpt #: 138 total cpu time spent up to now is 24.3 secs Computing kpt #: 139 total cpu time spent up to now is 24.5 secs Computing kpt #: 140 total cpu time spent up to now is 24.6 secs Computing kpt #: 141 total cpu time spent up to now is 24.8 secs Computing kpt #: 142 total cpu time spent up to now is 24.9 secs Computing kpt #: 143 total cpu time spent up to now is 25.0 secs Computing kpt #: 144 total cpu time spent up to now is 25.2 secs Computing kpt #: 145 total cpu time spent up to now is 25.3 secs Computing kpt #: 146 total cpu time spent up to now is 25.5 secs Computing kpt #: 147 total cpu time spent up to now is 25.6 secs Computing kpt #: 148 total cpu time spent up to now is 25.7 secs Computing kpt #: 149 total cpu time spent up to now is 25.9 secs Computing kpt #: 150 total cpu time spent up to now is 26.1 secs Computing kpt #: 151 total cpu time spent up to now is 26.2 secs Computing kpt #: 152 total cpu time spent up to now is 26.4 secs Computing kpt #: 153 total cpu time spent up to now is 26.5 secs Computing kpt #: 154 total cpu time spent up to now is 26.7 secs Computing kpt #: 155 total cpu time spent up to now is 26.8 secs Computing kpt #: 156 total cpu time spent up to now is 27.0 secs Computing kpt #: 157 total cpu time spent up to now is 27.2 secs Computing kpt #: 158 total cpu time spent up to now is 27.3 secs Computing kpt #: 159 total cpu time spent up to now is 27.5 secs Computing kpt #: 160 total cpu time spent up to now is 27.7 secs Computing kpt #: 161 total cpu time spent up to now is 27.8 secs Computing kpt #: 162 total cpu time spent up to now is 28.0 secs Computing kpt #: 163 total cpu time spent up to now is 28.2 secs Computing kpt #: 164 total cpu time spent up to now is 28.3 secs Computing kpt #: 165 total cpu time spent up to now is 28.5 secs Computing kpt #: 166 total cpu time spent up to now is 28.7 secs Computing kpt #: 167 total cpu time spent up to now is 28.8 secs Computing kpt #: 168 total cpu time spent up to now is 29.0 secs Computing kpt #: 169 total cpu time spent up to now is 29.2 secs Computing kpt #: 170 total cpu time spent up to now is 29.4 secs Computing kpt #: 171 total cpu time spent up to now is 29.6 secs Computing kpt #: 172 total cpu time spent up to now is 29.7 secs Computing kpt #: 173 total cpu time spent up to now is 29.9 secs Computing kpt #: 174 total cpu time spent up to now is 30.2 secs Computing kpt #: 175 total cpu time spent up to now is 30.4 secs Computing kpt #: 176 total cpu time spent up to now is 30.6 secs Computing kpt #: 177 total cpu time spent up to now is 30.8 secs Computing kpt #: 178 total cpu time spent up to now is 30.9 secs Computing kpt #: 179 total cpu time spent up to now is 31.1 secs Computing kpt #: 180 total cpu time spent up to now is 31.3 secs Computing kpt #: 181 total cpu time spent up to now is 31.5 secs Computing kpt #: 182 total cpu time spent up to now is 31.7 secs Computing kpt #: 183 total cpu time spent up to now is 31.8 secs Computing kpt #: 184 total cpu time spent up to now is 32.0 secs Computing kpt #: 185 total cpu time spent up to now is 32.2 secs Computing kpt #: 186 total cpu time spent up to now is 32.4 secs Computing kpt #: 187 total cpu time spent up to now is 32.6 secs Computing kpt #: 188 total cpu time spent up to now is 32.8 secs Computing kpt #: 189 total cpu time spent up to now is 32.9 secs Computing kpt #: 190 total cpu time spent up to now is 33.1 secs Computing kpt #: 191 total cpu time spent up to now is 33.3 secs Computing kpt #: 192 total cpu time spent up to now is 33.5 secs Computing kpt #: 193 total cpu time spent up to now is 33.7 secs Computing kpt #: 194 total cpu time spent up to now is 33.9 secs Computing kpt #: 195 total cpu time spent up to now is 34.1 secs Computing kpt #: 196 total cpu time spent up to now is 34.2 secs Computing kpt #: 197 total cpu time spent up to now is 34.4 secs Computing kpt #: 198 total cpu time spent up to now is 34.6 secs Computing kpt #: 199 total cpu time spent up to now is 34.8 secs Computing kpt #: 200 total cpu time spent up to now is 35.0 secs Computing kpt #: 201 total cpu time spent up to now is 35.2 secs Computing kpt #: 202 total cpu time spent up to now is 35.4 secs Computing kpt #: 203 total cpu time spent up to now is 35.6 secs Computing kpt #: 204 total cpu time spent up to now is 35.8 secs Computing kpt #: 205 total cpu time spent up to now is 36.0 secs Computing kpt #: 206 total cpu time spent up to now is 36.2 secs Computing kpt #: 207 total cpu time spent up to now is 36.4 secs Computing kpt #: 208 total cpu time spent up to now is 36.6 secs Computing kpt #: 209 total cpu time spent up to now is 36.8 secs Computing kpt #: 210 total cpu time spent up to now is 37.0 secs Computing kpt #: 211 total cpu time spent up to now is 37.2 secs Computing kpt #: 212 total cpu time spent up to now is 37.3 secs Computing kpt #: 213 total cpu time spent up to now is 37.6 secs Computing kpt #: 214 total cpu time spent up to now is 37.8 secs Computing kpt #: 215 total cpu time spent up to now is 38.0 secs Computing kpt #: 216 total cpu time spent up to now is 38.2 secs Computing kpt #: 217 total cpu time spent up to now is 38.3 secs Computing kpt #: 218 total cpu time spent up to now is 38.5 secs Computing kpt #: 219 total cpu time spent up to now is 38.7 secs Computing kpt #: 220 total cpu time spent up to now is 38.9 secs Computing kpt #: 221 total cpu time spent up to now is 39.0 secs Computing kpt #: 222 total cpu time spent up to now is 39.2 secs Computing kpt #: 223 total cpu time spent up to now is 39.4 secs Computing kpt #: 224 total cpu time spent up to now is 39.5 secs Computing kpt #: 225 total cpu time spent up to now is 39.7 secs Computing kpt #: 226 total cpu time spent up to now is 39.9 secs Computing kpt #: 227 total cpu time spent up to now is 40.0 secs Computing kpt #: 228 total cpu time spent up to now is 40.2 secs Computing kpt #: 229 total cpu time spent up to now is 40.3 secs Computing kpt #: 230 total cpu time spent up to now is 40.5 secs Computing kpt #: 231 total cpu time spent up to now is 40.7 secs Computing kpt #: 232 total cpu time spent up to now is 40.8 secs Computing kpt #: 233 total cpu time spent up to now is 41.0 secs Computing kpt #: 234 total cpu time spent up to now is 41.1 secs Computing kpt #: 235 total cpu time spent up to now is 41.3 secs Computing kpt #: 236 total cpu time spent up to now is 41.4 secs Computing kpt #: 237 total cpu time spent up to now is 41.6 secs Computing kpt #: 238 total cpu time spent up to now is 41.7 secs Computing kpt #: 239 total cpu time spent up to now is 41.9 secs Computing kpt #: 240 total cpu time spent up to now is 42.0 secs Computing kpt #: 241 total cpu time spent up to now is 42.2 secs Computing kpt #: 242 total cpu time spent up to now is 42.4 secs Computing kpt #: 243 total cpu time spent up to now is 42.5 secs Computing kpt #: 244 total cpu time spent up to now is 42.6 secs Computing kpt #: 245 total cpu time spent up to now is 42.8 secs Computing kpt #: 246 total cpu time spent up to now is 42.9 secs Computing kpt #: 247 total cpu time spent up to now is 43.1 secs Computing kpt #: 248 total cpu time spent up to now is 43.2 secs Computing kpt #: 249 total cpu time spent up to now is 43.4 secs Computing kpt #: 250 total cpu time spent up to now is 43.5 secs Computing kpt #: 251 total cpu time spent up to now is 43.6 secs Computing kpt #: 252 total cpu time spent up to now is 43.8 secs Computing kpt #: 253 total cpu time spent up to now is 43.9 secs Computing kpt #: 254 total cpu time spent up to now is 44.0 secs Computing kpt #: 255 total cpu time spent up to now is 44.1 secs Computing kpt #: 256 total cpu time spent up to now is 44.3 secs Computing kpt #: 257 total cpu time spent up to now is 44.4 secs Computing kpt #: 258 total cpu time spent up to now is 44.5 secs Computing kpt #: 259 total cpu time spent up to now is 44.6 secs Computing kpt #: 260 total cpu time spent up to now is 44.7 secs Computing kpt #: 261 total cpu time spent up to now is 44.8 secs Computing kpt #: 262 total cpu time spent up to now is 45.0 secs Computing kpt #: 263 total cpu time spent up to now is 45.1 secs Computing kpt #: 264 total cpu time spent up to now is 45.2 secs Computing kpt #: 265 total cpu time spent up to now is 45.3 secs Computing kpt #: 266 total cpu time spent up to now is 45.4 secs Computing kpt #: 267 total cpu time spent up to now is 45.6 secs Computing kpt #: 268 total cpu time spent up to now is 45.7 secs Computing kpt #: 269 total cpu time spent up to now is 45.8 secs Computing kpt #: 270 total cpu time spent up to now is 46.0 secs Computing kpt #: 271 total cpu time spent up to now is 46.1 secs Computing kpt #: 272 total cpu time spent up to now is 46.2 secs Computing kpt #: 273 total cpu time spent up to now is 46.4 secs Computing kpt #: 274 total cpu time spent up to now is 46.5 secs Computing kpt #: 275 total cpu time spent up to now is 46.7 secs Computing kpt #: 276 total cpu time spent up to now is 46.8 secs Computing kpt #: 277 total cpu time spent up to now is 47.0 secs Computing kpt #: 278 total cpu time spent up to now is 47.1 secs Computing kpt #: 279 total cpu time spent up to now is 47.3 secs Computing kpt #: 280 total cpu time spent up to now is 47.5 secs Computing kpt #: 281 total cpu time spent up to now is 47.6 secs Computing kpt #: 282 total cpu time spent up to now is 47.8 secs Computing kpt #: 283 total cpu time spent up to now is 47.9 secs Computing kpt #: 284 total cpu time spent up to now is 48.1 secs Computing kpt #: 285 total cpu time spent up to now is 48.3 secs Computing kpt #: 286 total cpu time spent up to now is 48.5 secs Computing kpt #: 287 total cpu time spent up to now is 48.6 secs Computing kpt #: 288 total cpu time spent up to now is 48.8 secs Computing kpt #: 289 total cpu time spent up to now is 49.0 secs Computing kpt #: 290 total cpu time spent up to now is 49.1 secs Computing kpt #: 291 total cpu time spent up to now is 49.3 secs Computing kpt #: 292 total cpu time spent up to now is 49.5 secs Computing kpt #: 293 total cpu time spent up to now is 49.7 secs Computing kpt #: 294 total cpu time spent up to now is 49.8 secs Computing kpt #: 295 total cpu time spent up to now is 50.0 secs Computing kpt #: 296 total cpu time spent up to now is 50.2 secs Computing kpt #: 297 total cpu time spent up to now is 50.3 secs Computing kpt #: 298 total cpu time spent up to now is 50.5 secs Computing kpt #: 299 total cpu time spent up to now is 50.7 secs Computing kpt #: 300 total cpu time spent up to now is 50.8 secs Computing kpt #: 301 total cpu time spent up to now is 51.0 secs Computing kpt #: 302 total cpu time spent up to now is 51.2 secs Computing kpt #: 303 total cpu time spent up to now is 51.3 secs Computing kpt #: 304 total cpu time spent up to now is 51.5 secs Computing kpt #: 305 total cpu time spent up to now is 51.7 secs Computing kpt #: 306 total cpu time spent up to now is 51.9 secs Computing kpt #: 307 total cpu time spent up to now is 52.1 secs Computing kpt #: 308 total cpu time spent up to now is 52.3 secs Computing kpt #: 309 total cpu time spent up to now is 52.4 secs Computing kpt #: 310 total cpu time spent up to now is 52.6 secs Computing kpt #: 311 total cpu time spent up to now is 52.8 secs Computing kpt #: 312 total cpu time spent up to now is 53.0 secs Computing kpt #: 313 total cpu time spent up to now is 53.2 secs Computing kpt #: 314 total cpu time spent up to now is 53.4 secs Computing kpt #: 315 total cpu time spent up to now is 53.6 secs Computing kpt #: 316 total cpu time spent up to now is 53.8 secs Computing kpt #: 317 total cpu time spent up to now is 54.0 secs Computing kpt #: 318 total cpu time spent up to now is 54.1 secs Computing kpt #: 319 total cpu time spent up to now is 54.3 secs Computing kpt #: 320 total cpu time spent up to now is 54.4 secs Computing kpt #: 321 total cpu time spent up to now is 54.6 secs Computing kpt #: 322 total cpu time spent up to now is 54.7 secs Computing kpt #: 323 total cpu time spent up to now is 54.9 secs Computing kpt #: 324 total cpu time spent up to now is 55.0 secs Computing kpt #: 325 total cpu time spent up to now is 55.2 secs Computing kpt #: 326 total cpu time spent up to now is 55.3 secs Computing kpt #: 327 total cpu time spent up to now is 55.4 secs Computing kpt #: 328 total cpu time spent up to now is 55.6 secs Computing kpt #: 329 total cpu time spent up to now is 55.7 secs Computing kpt #: 330 total cpu time spent up to now is 55.8 secs Computing kpt #: 331 total cpu time spent up to now is 55.9 secs Computing kpt #: 332 total cpu time spent up to now is 56.1 secs Computing kpt #: 333 total cpu time spent up to now is 56.2 secs Computing kpt #: 334 total cpu time spent up to now is 56.3 secs Computing kpt #: 335 total cpu time spent up to now is 56.5 secs Computing kpt #: 336 total cpu time spent up to now is 56.6 secs Computing kpt #: 337 total cpu time spent up to now is 56.8 secs Computing kpt #: 338 total cpu time spent up to now is 57.0 secs Computing kpt #: 339 total cpu time spent up to now is 57.1 secs Computing kpt #: 340 total cpu time spent up to now is 57.3 secs Computing kpt #: 341 total cpu time spent up to now is 57.5 secs Computing kpt #: 342 total cpu time spent up to now is 57.7 secs Computing kpt #: 343 total cpu time spent up to now is 57.8 secs Computing kpt #: 344 total cpu time spent up to now is 58.0 secs Computing kpt #: 345 total cpu time spent up to now is 58.3 secs Computing kpt #: 346 total cpu time spent up to now is 58.5 secs Computing kpt #: 347 total cpu time spent up to now is 58.7 secs Computing kpt #: 348 total cpu time spent up to now is 59.0 secs Computing kpt #: 349 total cpu time spent up to now is 59.1 secs Computing kpt #: 350 total cpu time spent up to now is 59.3 secs Computing kpt #: 351 total cpu time spent up to now is 59.5 secs Computing kpt #: 352 total cpu time spent up to now is 59.6 secs Computing kpt #: 353 total cpu time spent up to now is 59.7 secs Computing kpt #: 354 total cpu time spent up to now is 59.9 secs Computing kpt #: 355 total cpu time spent up to now is 60.0 secs Computing kpt #: 356 total cpu time spent up to now is 60.1 secs Computing kpt #: 357 total cpu time spent up to now is 60.3 secs Computing kpt #: 358 total cpu time spent up to now is 60.4 secs Computing kpt #: 359 total cpu time spent up to now is 60.5 secs Computing kpt #: 360 total cpu time spent up to now is 60.7 secs Computing kpt #: 361 total cpu time spent up to now is 60.8 secs Computing kpt #: 362 total cpu time spent up to now is 61.0 secs Computing kpt #: 363 total cpu time spent up to now is 61.1 secs Computing kpt #: 364 total cpu time spent up to now is 61.2 secs Computing kpt #: 365 total cpu time spent up to now is 61.4 secs Computing kpt #: 366 total cpu time spent up to now is 61.5 secs Computing kpt #: 367 total cpu time spent up to now is 61.7 secs Computing kpt #: 368 total cpu time spent up to now is 61.8 secs Computing kpt #: 369 total cpu time spent up to now is 61.9 secs Computing kpt #: 370 total cpu time spent up to now is 62.1 secs Computing kpt #: 371 total cpu time spent up to now is 62.2 secs Computing kpt #: 372 total cpu time spent up to now is 62.4 secs Computing kpt #: 373 total cpu time spent up to now is 62.5 secs Computing kpt #: 374 total cpu time spent up to now is 62.7 secs Computing kpt #: 375 total cpu time spent up to now is 62.8 secs Computing kpt #: 376 total cpu time spent up to now is 62.9 secs Computing kpt #: 377 total cpu time spent up to now is 63.1 secs Computing kpt #: 378 total cpu time spent up to now is 63.2 secs Computing kpt #: 379 total cpu time spent up to now is 63.3 secs Computing kpt #: 380 total cpu time spent up to now is 63.5 secs Computing kpt #: 381 total cpu time spent up to now is 63.6 secs Computing kpt #: 382 total cpu time spent up to now is 63.7 secs Computing kpt #: 383 total cpu time spent up to now is 63.8 secs Computing kpt #: 384 total cpu time spent up to now is 64.0 secs Computing kpt #: 385 total cpu time spent up to now is 64.1 secs ethr = 3.57E-08, avg # of iterations = 14.6 total cpu time spent up to now is 64.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8187 -34.8187 -13.6573 -13.6573 -13.1467 -13.1467 -13.1467 -13.1467 7.6523 7.6523 11.3332 11.3332 11.3332 11.3332 13.1937 13.1937 13.1937 13.1937 13.2949 13.2949 15.8864 15.8864 15.8864 15.8864 18.3505 18.3505 18.3505 18.3506 k = 0.0000 0.0100-0.0000 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8187 -34.8187 -13.6574 -13.6574 -13.1469 -13.1469 -13.1467 -13.1467 7.6541 7.6541 11.3339 11.3339 11.3339 11.3339 13.1936 13.1936 13.1938 13.1938 13.2949 13.2949 15.8857 15.8857 15.8867 15.8867 18.3470 18.3470 18.3491 18.3491 k = 0.0000 0.0200-0.0000 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8186 -34.8186 -13.6576 -13.6576 -13.1476 -13.1476 -13.1466 -13.1466 7.6596 7.6596 11.3361 11.3361 11.3363 11.3363 13.1931 13.1931 13.1942 13.1942 13.2948 13.2948 15.8833 15.8833 15.8874 15.8874 18.3363 18.3363 18.3439 18.3439 k = 0.0000 0.0300-0.0000 ( 2521 PWs) bands (ev): -77.3982 -77.3982 -43.0717 -43.0717 -41.3360 -41.3360 -41.3359 -41.3359 -34.8184 -34.8184 -13.6581 -13.6581 -13.1487 -13.1487 -13.1465 -13.1465 7.6688 7.6688 11.3393 11.3393 11.3397 11.3397 13.1920 13.1920 13.1946 13.1946 13.2945 13.2945 15.8793 15.8793 15.8882 15.8882 18.3187 18.3187 18.3325 18.3325 k = 0.0000 0.0400-0.0000 ( 2525 PWs) bands (ev): -77.3984 -77.3984 -43.0718 -43.0718 -41.3362 -41.3362 -41.3359 -41.3359 -34.8182 -34.8182 -13.6588 -13.6588 -13.1503 -13.1503 -13.1463 -13.1463 7.6815 7.6815 11.3445 11.3445 11.3446 11.3446 13.1903 13.1903 13.1950 13.1950 13.2940 13.2940 15.8737 15.8737 15.8897 15.8897 18.2944 18.2944 18.3125 18.3125 k = 0.0000 0.0500-0.0000 ( 2525 PWs) bands (ev): -77.3984 -77.3984 -43.0718 -43.0718 -41.3362 -41.3362 -41.3359 -41.3359 -34.8178 -34.8178 -13.6596 -13.6596 -13.1522 -13.1522 -13.1461 -13.1461 7.6980 7.6980 11.3510 11.3510 11.3515 11.3515 13.1888 13.1888 13.1958 13.1958 13.2939 13.2939 15.8665 15.8665 15.8917 15.8917 18.2639 18.2639 18.2846 18.2846 k = 0.0000 0.0600-0.0000 ( 2525 PWs) bands (ev): -77.3984 -77.3984 -43.0718 -43.0718 -41.3364 -41.3364 -41.3359 -41.3359 -34.8175 -34.8175 -13.6607 -13.6607 -13.1546 -13.1546 -13.1458 -13.1458 7.7181 7.7181 11.3589 11.3589 11.3598 11.3598 13.1870 13.1870 13.1967 13.1967 13.2939 13.2939 15.8579 15.8579 15.8940 15.8940 18.2277 18.2277 18.2501 18.2501 k = 0.0000 0.0700-0.0000 ( 2525 PWs) bands (ev): -77.3983 -77.3983 -43.0719 -43.0719 -41.3365 -41.3365 -41.3358 -41.3358 -34.8170 -34.8170 -13.6619 -13.6619 -13.1574 -13.1574 -13.1455 -13.1455 7.7417 7.7417 11.3683 11.3683 11.3695 11.3695 13.1849 13.1849 13.1976 13.1976 13.2940 13.2940 15.8477 15.8477 15.8964 15.8964 18.1862 18.1862 18.2097 18.2097 k = 0.0000 0.0800-0.0000 ( 2525 PWs) bands (ev): -77.3983 -77.3983 -43.0719 -43.0719 -41.3366 -41.3366 -41.3358 -41.3358 -34.8165 -34.8165 -13.6633 -13.6633 -13.1605 -13.1605 -13.1451 -13.1451 7.7690 7.7690 11.3790 11.3790 11.3806 11.3806 13.1826 13.1826 13.1985 13.1985 13.2943 13.2943 15.8360 15.8360 15.8990 15.8990 18.1399 18.1399 18.1644 18.1644 k = 0.0000 0.0900-0.0000 ( 2529 PWs) bands (ev): -77.3985 -77.3985 -43.0720 -43.0720 -41.3369 -41.3369 -41.3358 -41.3358 -34.8159 -34.8159 -13.6650 -13.6650 -13.1640 -13.1640 -13.1447 -13.1447 7.7997 7.7997 11.3911 11.3911 11.3926 11.3926 13.1796 13.1796 13.1991 13.1991 13.2946 13.2946 15.8227 15.8227 15.9006 15.9006 18.0893 18.0893 18.1147 18.1147 k = 0.0000 0.1000-0.0000 ( 2529 PWs) bands (ev): -77.3984 -77.3984 -43.0721 -43.0721 -41.3370 -41.3370 -41.3358 -41.3358 -34.8153 -34.8153 -13.6668 -13.6668 -13.1678 -13.1678 -13.1443 -13.1443 7.8340 7.8340 11.4045 11.4045 11.4062 11.4062 13.1767 13.1767 13.1997 13.1997 13.2955 13.2955 15.8080 15.8080 15.9028 15.9028 18.0351 18.0351 18.0611 18.0611 k = 0.0000 0.1100-0.0000 ( 2537 PWs) bands (ev): -77.3987 -77.3987 -43.0722 -43.0722 -41.3373 -41.3373 -41.3358 -41.3358 -34.8146 -34.8146 -13.6689 -13.6689 -13.1719 -13.1719 -13.1438 -13.1438 7.8717 7.8717 11.4180 11.4180 11.4205 11.4205 13.1734 13.1734 13.1998 13.1998 13.2964 13.2964 15.7911 15.7911 15.9044 15.9044 17.9775 17.9775 18.0043 18.0043 k = 0.0000 0.1200-0.0000 ( 2545 PWs) bands (ev): -77.3990 -77.3990 -43.0724 -43.0724 -41.3376 -41.3376 -41.3359 -41.3359 -34.8138 -34.8138 -13.6712 -13.6712 -13.1763 -13.1763 -13.1433 -13.1433 7.9128 7.9128 11.4339 11.4339 11.4362 11.4362 13.1686 13.1686 13.1990 13.1990 13.2975 13.2975 15.7731 15.7731 15.9054 15.9054 17.9173 17.9173 17.9446 17.9446 k = 0.0000 0.1300-0.0000 ( 2537 PWs) bands (ev): -77.3986 -77.3986 -43.0724 -43.0724 -41.3377 -41.3377 -41.3358 -41.3358 -34.8130 -34.8130 -13.6736 -13.6736 -13.1809 -13.1809 -13.1427 -13.1427 7.9575 7.9575 11.4513 11.4513 11.4532 11.4532 13.1662 13.1662 13.1997 13.1997 13.3005 13.3005 15.7541 15.7541 15.9059 15.9059 17.8552 17.8552 17.8830 17.8830 k = 0.0000 0.1400-0.0000 ( 2537 PWs) bands (ev): -77.3986 -77.3986 -43.0725 -43.0725 -41.3380 -41.3380 -41.3357 -41.3357 -34.8122 -34.8122 -13.6763 -13.6763 -13.1857 -13.1857 -13.1421 -13.1421 8.0054 8.0054 11.4699 11.4699 11.4709 11.4709 13.1624 13.1624 13.1990 13.1990 13.3033 13.3033 15.7336 15.7336 15.9051 15.9051 17.7910 17.7910 17.8193 17.8193 k = 0.0000 0.1500-0.0000 ( 2537 PWs) bands (ev): -77.3986 -77.3986 -43.0726 -43.0726 -41.3382 -41.3382 -41.3357 -41.3357 -34.8113 -34.8113 -13.6793 -13.6793 -13.1907 -13.1907 -13.1414 -13.1414 8.0566 8.0566 11.4893 11.4893 11.4897 11.4897 13.1584 13.1584 13.1979 13.1979 13.3066 13.3066 15.7119 15.7119 15.9030 15.9030 17.7254 17.7254 17.7542 17.7542 k = 0.0000 0.1600-0.0000 ( 2529 PWs) bands (ev): -77.3981 -77.3981 -43.0725 -43.0725 -41.3384 -41.3384 -41.3356 -41.3356 -34.8103 -34.8103 -13.6824 -13.6824 -13.1958 -13.1958 -13.1408 -13.1408 8.1111 8.1111 11.5083 11.5083 11.5109 11.5109 13.1552 13.1552 13.1973 13.1973 13.3112 13.3112 15.6889 15.6889 15.9002 15.9002 17.6590 17.6590 17.6881 17.6881 k = 0.0000 0.1700-0.0000 ( 2529 PWs) bands (ev): -77.3981 -77.3981 -43.0727 -43.0727 -41.3387 -41.3387 -41.3356 -41.3356 -34.8093 -34.8093 -13.6857 -13.6857 -13.2010 -13.2010 -13.1401 -13.1401 8.1687 8.1687 11.5278 11.5278 11.5330 11.5330 13.1509 13.1509 13.1954 13.1954 13.3157 13.3157 15.6646 15.6646 15.8943 15.8943 17.5918 17.5918 17.6212 17.6212 k = 0.0000 0.1800-0.0000 ( 2541 PWs) bands (ev): -77.3986 -77.3986 -43.0729 -43.0729 -41.3391 -41.3391 -41.3356 -41.3356 -34.8083 -34.8083 -13.6893 -13.6893 -13.2063 -13.2063 -13.1394 -13.1394 8.2293 8.2293 11.5470 11.5470 11.5561 11.5561 13.1448 13.1448 13.1917 13.1917 13.3201 13.3201 15.6391 15.6391 15.8855 15.8855 17.5239 17.5239 17.5535 17.5535 k = 0.0000 0.1900-0.0000 ( 2533 PWs) bands (ev): -77.3983 -77.3983 -43.0729 -43.0729 -41.3393 -41.3393 -41.3355 -41.3355 -34.8073 -34.8073 -13.6931 -13.6931 -13.2116 -13.2116 -13.1386 -13.1386 8.2931 8.2931 11.5678 11.5678 11.5803 11.5803 13.1414 13.1414 13.1900 13.1900 13.3259 13.3259 15.6125 15.6125 15.8752 15.8752 17.4563 17.4563 17.4861 17.4861 k = 0.0000 0.2000-0.0000 ( 2533 PWs) bands (ev): -77.3982 -77.3982 -43.0730 -43.0730 -41.3397 -41.3397 -41.3355 -41.3355 -34.8062 -34.8062 -13.6971 -13.6971 -13.2169 -13.2169 -13.1379 -13.1379 8.3599 8.3599 11.5881 11.5881 11.6055 11.6055 13.1367 13.1367 13.1871 13.1871 13.3317 13.3317 15.5847 15.5847 15.8610 15.8610 17.3890 17.3890 17.4190 17.4190 k = 0.0000 0.2100-0.0000 ( 2533 PWs) bands (ev): -77.3982 -77.3982 -43.0732 -43.0732 -41.3400 -41.3400 -41.3354 -41.3354 -34.8051 -34.8051 -13.7013 -13.7013 -13.2223 -13.2223 -13.1371 -13.1371 8.4295 8.4295 11.6084 11.6084 11.6317 11.6317 13.1320 13.1320 13.1840 13.1840 13.3380 13.3380 15.5560 15.5560 15.8434 15.8434 17.3221 17.3221 17.3522 17.3522 k = 0.0000 0.2200-0.0000 ( 2533 PWs) bands (ev): -77.3982 -77.3982 -43.0733 -43.0733 -41.3403 -41.3403 -41.3354 -41.3354 -34.8040 -34.8040 -13.7056 -13.7056 -13.2275 -13.2275 -13.1363 -13.1363 8.5020 8.5020 11.6285 11.6285 11.6587 11.6587 13.1273 13.1273 13.1807 13.1807 13.3446 13.3446 15.5263 15.5263 15.8220 15.8220 17.2560 17.2560 17.2861 17.2861 k = 0.0000 0.2300-0.0000 ( 2529 PWs) bands (ev): -77.3980 -77.3980 -43.0734 -43.0734 -41.3406 -41.3406 -41.3353 -41.3353 -34.8028 -34.8028 -13.7102 -13.7102 -13.2327 -13.2327 -13.1355 -13.1355 8.5772 8.5772 11.6493 11.6493 11.6865 11.6865 13.1228 13.1228 13.1774 13.1774 13.3515 13.3515 15.4957 15.4957 15.7968 15.7968 17.1907 17.1907 17.2208 17.2208 k = 0.0000 0.2400-0.0000 ( 2529 PWs) bands (ev): -77.3979 -77.3979 -43.0735 -43.0735 -41.3409 -41.3409 -41.3353 -41.3353 -34.8017 -34.8017 -13.7149 -13.7149 -13.2378 -13.2378 -13.1347 -13.1347 8.6550 8.6550 11.6684 11.6684 11.7150 11.7150 13.1181 13.1181 13.1739 13.1739 13.3586 13.3586 15.4643 15.4643 15.7667 15.7667 17.1265 17.1265 17.1566 17.1566 k = 0.0000 0.2500-0.0000 ( 2545 PWs) bands (ev): -77.3986 -77.3986 -43.0738 -43.0738 -41.3414 -41.3414 -41.3354 -41.3354 -34.8006 -34.8006 -13.7198 -13.7198 -13.2427 -13.2427 -13.1339 -13.1339 8.7353 8.7353 11.6865 11.6865 11.7430 11.7430 13.1113 13.1113 13.1683 13.1683 13.3657 13.3657 15.4314 15.4314 15.7312 15.7312 17.0635 17.0635 17.0935 17.0935 k = 0.0000 0.2600-0.0000 ( 2537 PWs) bands (ev): -77.3982 -77.3982 -43.0738 -43.0738 -41.3417 -41.3417 -41.3352 -41.3352 -34.7994 -34.7994 -13.7247 -13.7247 -13.2476 -13.2476 -13.1331 -13.1331 8.8181 8.8181 11.7042 11.7042 11.7727 11.7727 13.1073 13.1073 13.1653 13.1653 13.3749 13.3749 15.3987 15.3987 15.6917 15.6917 17.0020 17.0020 17.0320 17.0320 k = 0.0000 0.2700-0.0000 ( 2537 PWs) bands (ev): -77.3982 -77.3982 -43.0740 -43.0740 -41.3420 -41.3420 -41.3352 -41.3352 -34.7983 -34.7983 -13.7298 -13.7298 -13.2522 -13.2522 -13.1323 -13.1323 8.9032 8.9032 11.7206 11.7206 11.8029 11.8029 13.1027 13.1027 13.1617 13.1617 13.3824 13.3824 15.3655 15.3655 15.6471 15.6471 16.9420 16.9420 16.9719 16.9719 k = 0.0000 0.2800-0.0000 ( 2537 PWs) bands (ev): -77.3982 -77.3982 -43.0741 -43.0741 -41.3424 -41.3424 -41.3351 -41.3351 -34.7971 -34.7971 -13.7350 -13.7350 -13.2567 -13.2567 -13.1315 -13.1315 8.9906 8.9906 11.7357 11.7357 11.8334 11.8334 13.0983 13.0983 13.1580 13.1580 13.3900 13.3900 15.3319 15.3319 15.5976 15.5976 16.8838 16.8838 16.9135 16.9135 k = 0.0000 0.2900-0.0000 ( 2537 PWs) bands (ev): -77.3981 -77.3981 -43.0742 -43.0742 -41.3427 -41.3427 -41.3351 -41.3351 -34.7960 -34.7960 -13.7402 -13.7402 -13.2610 -13.2610 -13.1308 -13.1308 9.0800 9.0800 11.7493 11.7493 11.8642 11.8642 13.0939 13.0939 13.1545 13.1545 13.3976 13.3976 15.2981 15.2981 15.5433 15.5433 16.8273 16.8273 16.8569 16.8569 k = 0.0000 0.3000-0.0000 ( 2533 PWs) bands (ev): -77.3979 -77.3979 -43.0743 -43.0743 -41.3430 -41.3430 -41.3350 -41.3350 -34.7949 -34.7949 -13.7455 -13.7455 -13.2651 -13.2651 -13.1300 -13.1300 9.1714 9.1714 11.7612 11.7612 11.8951 11.8951 13.0903 13.0903 13.1516 13.1516 13.4055 13.4055 15.2640 15.2640 15.4845 15.4845 16.7728 16.7728 16.8022 16.8022 k = 0.0000 0.3100-0.0000 ( 2533 PWs) bands (ev): -77.3979 -77.3979 -43.0744 -43.0744 -41.3433 -41.3433 -41.3350 -41.3350 -34.7938 -34.7938 -13.7507 -13.7507 -13.2689 -13.2689 -13.1292 -13.1292 9.2646 9.2646 11.7709 11.7709 11.9261 11.9261 13.0861 13.0861 13.1483 13.1483 13.4130 13.4130 15.2300 15.2300 15.4216 15.4216 16.7203 16.7203 16.7495 16.7495 k = 0.0000 0.3200-0.0000 ( 2529 PWs) bands (ev): -77.3977 -77.3977 -43.0744 -43.0744 -41.3435 -41.3435 -41.3349 -41.3349 -34.7928 -34.7928 -13.7560 -13.7560 -13.2726 -13.2726 -13.1285 -13.1285 9.3594 9.3594 11.7785 11.7785 11.9570 11.9570 13.0830 13.0830 13.1458 13.1458 13.4200 13.4200 15.1963 15.1963 15.3555 15.3555 16.6698 16.6698 16.6989 16.6989 k = 0.0000 0.3300-0.0000 ( 2529 PWs) bands (ev): -77.3976 -77.3976 -43.0745 -43.0745 -41.3438 -41.3438 -41.3349 -41.3349 -34.7918 -34.7918 -13.7611 -13.7611 -13.2760 -13.2760 -13.1278 -13.1278 9.4557 9.4557 11.7834 11.7834 11.9876 11.9876 13.0791 13.0791 13.1427 13.1427 13.4273 13.4273 15.1627 15.1627 15.2859 15.2859 16.6216 16.6216 16.6505 16.6505 k = 0.0000 0.3400-0.0000 ( 2529 PWs) bands (ev): -77.3976 -77.3976 -43.0746 -43.0746 -41.3441 -41.3441 -41.3348 -41.3348 -34.7908 -34.7908 -13.7662 -13.7662 -13.2793 -13.2793 -13.1271 -13.1271 9.5532 9.5532 11.7853 11.7853 12.0179 12.0179 13.0754 13.0754 13.1397 13.1397 13.4343 13.4343 15.1294 15.1294 15.2141 15.2141 16.5757 16.5757 16.6045 16.6045 k = 0.0000 0.3500-0.0000 ( 2533 PWs) bands (ev): -77.3978 -77.3978 -43.0748 -43.0748 -41.3444 -41.3444 -41.3348 -41.3348 -34.7898 -34.7898 -13.7712 -13.7712 -13.2823 -13.2823 -13.1264 -13.1264 9.6517 9.6517 11.7845 11.7845 12.0476 12.0476 13.0710 13.0710 13.1361 13.1361 13.4410 13.4410 15.0967 15.0967 15.1400 15.1400 16.5323 16.5323 16.5608 16.5608 k = 0.0000 0.3600-0.0000 ( 2545 PWs) bands (ev): -77.3983 -77.3983 -43.0750 -43.0750 -41.3448 -41.3448 -41.3349 -41.3349 -34.7889 -34.7889 -13.7760 -13.7760 -13.2851 -13.2851 -13.1258 -13.1258 9.7510 9.7510 11.7799 11.7799 12.0759 12.0759 13.0658 13.0658 13.1317 13.1317 13.4467 13.4467 15.0645 15.0645 15.0657 15.0657 16.4913 16.4913 16.5196 16.5196 k = 0.0000 0.3700-0.0000 ( 2545 PWs) bands (ev): -77.3983 -77.3983 -43.0751 -43.0751 -41.3450 -41.3450 -41.3349 -41.3349 -34.7881 -34.7881 -13.7806 -13.7806 -13.2877 -13.2877 -13.1252 -13.1252 9.8510 9.8510 11.7715 11.7715 12.1040 12.1040 13.0626 13.0626 13.1292 13.1292 13.4530 13.4530 14.9916 14.9916 15.0336 15.0336 16.4528 16.4528 16.4810 16.4810 k = 0.0000 0.3800-0.0000 ( 2545 PWs) bands (ev): -77.3982 -77.3982 -43.0752 -43.0752 -41.3453 -41.3453 -41.3348 -41.3348 -34.7873 -34.7873 -13.7851 -13.7851 -13.2900 -13.2900 -13.1246 -13.1246 9.9513 9.9513 11.7591 11.7591 12.1311 12.1311 13.0595 13.0595 13.1269 13.1269 13.4590 13.4590 14.9186 14.9186 15.0039 15.0039 16.4169 16.4169 16.4449 16.4449 k = 0.0000 0.3900-0.0000 ( 2545 PWs) bands (ev): -77.3982 -77.3982 -43.0753 -43.0753 -41.3455 -41.3455 -41.3348 -41.3348 -34.7865 -34.7865 -13.7893 -13.7893 -13.2922 -13.2922 -13.1241 -13.1241 10.0515 10.0515 11.7433 11.7433 12.1566 12.1566 13.0563 13.0563 13.1244 13.1244 13.4643 13.4643 14.8481 14.8481 14.9755 14.9755 16.3836 16.3836 16.4114 16.4114 k = 0.0000 0.4000-0.0000 ( 2545 PWs) bands (ev): -77.3982 -77.3982 -43.0754 -43.0754 -41.3457 -41.3457 -41.3348 -41.3348 -34.7858 -34.7858 -13.7932 -13.7932 -13.2942 -13.2942 -13.1236 -13.1236 10.1513 10.1513 11.7222 11.7222 12.1811 12.1811 13.0535 13.0535 13.1224 13.1224 13.4695 13.4695 14.7797 14.7797 14.9486 14.9486 16.3531 16.3531 16.3807 16.3807 k = 0.0000 0.4100-0.0000 ( 2541 PWs) bands (ev): -77.3980 -77.3980 -43.0754 -43.0754 -41.3458 -41.3458 -41.3348 -41.3348 -34.7852 -34.7852 -13.7968 -13.7968 -13.2959 -13.2959 -13.1231 -13.1231 10.2504 10.2504 11.6969 11.6969 12.2040 12.2040 13.0511 13.0511 13.1207 13.1207 13.4744 13.4744 14.7163 14.7163 14.9236 14.9236 16.3253 16.3253 16.3528 16.3528 k = 0.0000 0.4200-0.0000 ( 2541 PWs) bands (ev): -77.3980 -77.3980 -43.0755 -43.0755 -41.3460 -41.3460 -41.3348 -41.3348 -34.7846 -34.7846 -13.8001 -13.8001 -13.2975 -13.2975 -13.1227 -13.1227 10.3479 10.3479 11.6665 11.6665 12.2251 12.2251 13.0488 13.0488 13.1191 13.1191 13.4788 13.4788 14.6560 14.6560 14.9005 14.9005 16.3003 16.3003 16.3277 16.3277 k = 0.0000 0.4300-0.0000 ( 2533 PWs) bands (ev): -77.3977 -77.3977 -43.0754 -43.0754 -41.3460 -41.3460 -41.3347 -41.3347 -34.7840 -34.7840 -13.8031 -13.8031 -13.2988 -13.2988 -13.1223 -13.1223 10.4433 10.4433 11.6317 11.6317 12.2444 12.2444 13.0478 13.0478 13.1188 13.1188 13.4841 13.4841 14.6012 14.6012 14.8795 14.8795 16.2782 16.2783 16.3055 16.3055 k = 0.0000 0.4400-0.0000 ( 2549 PWs) bands (ev): -77.3984 -77.3984 -43.0757 -43.0757 -41.3463 -41.3463 -41.3349 -41.3349 -34.7836 -34.7836 -13.8057 -13.8057 -13.3000 -13.3000 -13.1220 -13.1220 10.5358 10.5358 11.5925 11.5925 12.2590 12.2590 13.0450 13.0450 13.1167 13.1167 13.4856 13.4856 14.5508 14.5508 14.8609 14.8609 16.2589 16.2589 16.2861 16.2861 k = 0.0000 0.4500-0.0000 ( 2549 PWs) bands (ev): -77.3984 -77.3984 -43.0757 -43.0757 -41.3464 -41.3464 -41.3348 -41.3348 -34.7832 -34.7832 -13.8080 -13.8080 -13.3010 -13.3010 -13.1218 -13.1218 10.6242 10.6242 11.5502 11.5502 12.2737 12.2737 13.0435 13.0435 13.1157 13.1157 13.4885 13.4885 14.5082 14.5082 14.8448 14.8448 16.2426 16.2426 16.2696 16.2696 k = 0.0000 0.4600-0.0000 ( 2545 PWs) bands (ev): -77.3982 -77.3982 -43.0757 -43.0757 -41.3464 -41.3464 -41.3348 -41.3348 -34.7829 -34.7829 -13.8098 -13.8098 -13.3018 -13.3018 -13.1215 -13.1215 10.7069 10.7069 11.5061 11.5061 12.2860 12.2860 13.0427 13.0427 13.1154 13.1154 13.4910 13.4910 14.4733 14.4733 14.8314 14.8314 16.2292 16.2292 16.2562 16.2562 k = 0.0000 0.4700-0.0000 ( 2544 PWs) bands (ev): -77.3981 -77.3981 -43.0757 -43.0757 -41.3465 -41.3465 -41.3348 -41.3348 -34.7826 -34.7826 -13.8113 -13.8113 -13.3024 -13.3024 -13.1213 -13.1213 10.7810 10.7810 11.4621 11.4621 12.2956 12.2956 13.0417 13.0417 13.1148 13.1148 13.4929 13.4929 14.4455 14.4455 14.8209 14.8209 16.2187 16.2187 16.2456 16.2457 k = 0.0000 0.4800-0.0000 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3467 -41.3467 -41.3349 -41.3349 -34.7825 -34.7825 -13.8123 -13.8123 -13.3029 -13.3029 -13.1212 -13.1212 10.8419 10.8419 11.4224 11.4224 12.3023 12.3023 13.0383 13.0383 13.1117 13.1117 13.4931 13.4931 14.4249 14.4249 14.8132 14.8132 16.2112 16.2112 16.2381 16.2381 k = 0.0000 0.4900-0.0000 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3468 -41.3468 -41.3349 -41.3349 -34.7824 -34.7824 -13.8130 -13.8130 -13.3031 -13.3031 -13.1211 -13.1211 10.8840 10.8840 11.3933 11.3933 12.3065 12.3065 13.0379 13.0379 13.1115 13.1115 13.4939 13.4939 14.4126 14.4126 14.8086 14.8086 16.2067 16.2067 16.2336 16.2336 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3468 -41.3468 -41.3349 -41.3349 -34.7823 -34.7823 -13.8132 -13.8132 -13.3032 -13.3032 -13.1211 -13.1211 10.8992 10.8992 11.3824 11.3824 12.3079 12.3079 13.0377 13.0377 13.1114 13.1114 13.4942 13.4942 14.4085 14.4085 14.8071 14.8071 16.2052 16.2052 16.2321 16.2321 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3468 -41.3468 -41.3349 -41.3349 -34.7823 -34.7823 -13.8132 -13.8132 -13.3032 -13.3032 -13.1211 -13.1211 10.8992 10.8992 11.3824 11.3824 12.3079 12.3079 13.0377 13.0377 13.1114 13.1114 13.4942 13.4942 14.4085 14.4085 14.8071 14.8071 16.2052 16.2052 16.2321 16.2321 k = 0.0100 0.5000-0.0000 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3468 -41.3468 -41.3349 -41.3349 -34.7823 -34.7823 -13.8132 -13.8132 -13.3033 -13.3033 -13.1213 -13.1213 10.8998 10.8998 11.3833 11.3833 12.3079 12.3079 13.0374 13.0374 13.1109 13.1109 13.4927 13.4927 14.4079 14.4079 14.8094 14.8094 16.2066 16.2066 16.2334 16.2334 k = 0.0200 0.5000-0.0000 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3468 -41.3468 -41.3349 -41.3349 -34.7822 -34.7822 -13.8132 -13.8132 -13.3035 -13.3035 -13.1217 -13.1217 10.9014 10.9014 11.3857 11.3857 12.3079 12.3079 13.0363 13.0363 13.1097 13.1097 13.4884 13.4884 14.4062 14.4062 14.8164 14.8164 16.2104 16.2104 16.2376 16.2376 k = 0.0300 0.5000-0.0000 ( 2552 PWs) bands (ev): -77.3985 -77.3985 -43.0759 -43.0759 -41.3467 -41.3467 -41.3349 -41.3349 -34.7821 -34.7821 -13.8132 -13.8132 -13.3039 -13.3039 -13.1224 -13.1224 10.9042 10.9042 11.3898 11.3898 12.3091 12.3091 13.0349 13.0349 13.1081 13.1081 13.4823 13.4823 14.4042 14.4042 14.8280 14.8280 16.2160 16.2160 16.2454 16.2454 k = 0.0400 0.5000-0.0000 ( 2544 PWs) bands (ev): -77.3981 -77.3981 -43.0758 -43.0758 -41.3466 -41.3466 -41.3349 -41.3349 -34.7819 -34.7819 -13.8132 -13.8132 -13.3045 -13.3045 -13.1233 -13.1233 10.9081 10.9081 11.3955 11.3955 12.3093 12.3093 13.0337 13.0337 13.1068 13.1068 13.4730 13.4730 14.4004 14.4004 14.8441 14.8441 16.2224 16.2224 16.2575 16.2575 k = 0.0500 0.5000-0.0000 ( 2536 PWs) bands (ev): -77.3978 -77.3978 -43.0757 -43.0757 -41.3466 -41.3466 -41.3348 -41.3348 -34.7816 -34.7816 -13.8133 -13.8133 -13.3052 -13.3052 -13.1246 -13.1246 10.9128 10.9128 11.4025 11.4025 12.3098 12.3098 13.0314 13.0314 13.1045 13.1045 13.4618 13.4618 14.3959 14.3959 14.8645 14.8645 16.2292 16.2292 16.2742 16.2742 k = 0.0600 0.5000-0.0000 ( 2544 PWs) bands (ev): -77.3981 -77.3981 -43.0759 -43.0759 -41.3466 -41.3466 -41.3350 -41.3350 -34.7813 -34.7813 -13.8133 -13.8133 -13.3061 -13.3061 -13.1260 -13.1260 10.9183 10.9183 11.4108 11.4108 12.3103 12.3103 13.0272 13.0272 13.1007 13.1007 13.4448 13.4448 14.3895 14.3895 14.8890 14.8890 16.2361 16.2361 16.2951 16.2951 k = 0.0700 0.5000-0.0000 ( 2544 PWs) bands (ev): -77.3981 -77.3981 -43.0759 -43.0759 -41.3466 -41.3466 -41.3351 -41.3351 -34.7809 -34.7809 -13.8134 -13.8134 -13.3072 -13.3072 -13.1277 -13.1277 10.9246 10.9246 11.4202 11.4202 12.3112 12.3112 13.0228 13.0228 13.0978 13.0978 13.4274 13.4274 14.3829 14.3829 14.9174 14.9174 16.2434 16.2434 16.3200 16.3200 k = 0.0800 0.5000-0.0000 ( 2540 PWs) bands (ev): -77.3979 -77.3979 -43.0759 -43.0759 -41.3466 -41.3466 -41.3352 -41.3352 -34.7805 -34.7805 -13.8135 -13.8135 -13.3084 -13.3084 -13.1295 -13.1295 10.9317 10.9317 11.4305 11.4305 12.3129 12.3129 13.0184 13.0184 13.0960 13.0960 13.4081 13.4081 14.3757 14.3757 14.9494 14.9494 16.2509 16.2509 16.3486 16.3486 k = 0.0900 0.5000-0.0000 ( 2540 PWs) bands (ev): -77.3979 -77.3979 -43.0760 -43.0760 -41.3466 -41.3466 -41.3352 -41.3352 -34.7800 -34.7800 -13.8136 -13.8136 -13.3099 -13.3099 -13.1315 -13.1315 10.9389 10.9389 11.4414 11.4414 12.3164 12.3164 13.0117 13.0117 13.0949 13.0949 13.3865 13.3865 14.3680 14.3680 14.9848 14.9848 16.2586 16.2586 16.3804 16.3804 k = 0.1000 0.5000-0.0000 ( 2532 PWs) bands (ev): -77.3975 -77.3975 -43.0759 -43.0759 -41.3466 -41.3466 -41.3353 -41.3353 -34.7795 -34.7795 -13.8138 -13.8138 -13.3116 -13.3116 -13.1336 -13.1336 10.9467 10.9467 11.4528 11.4528 12.3205 12.3205 13.0047 13.0047 13.0974 13.0974 13.3641 13.3641 14.3597 14.3597 15.0235 15.0235 16.2663 16.2663 16.4153 16.4153 k = 0.1100 0.5000-0.0000 ( 2532 PWs) bands (ev): -77.3975 -77.3975 -43.0760 -43.0760 -41.3466 -41.3466 -41.3354 -41.3354 -34.7790 -34.7790 -13.8140 -13.8140 -13.3135 -13.3135 -13.1358 -13.1358 10.9546 10.9546 11.4643 11.4643 12.3245 12.3245 12.9962 12.9962 13.1022 13.1022 13.3392 13.3392 14.3503 14.3503 15.0650 15.0650 16.2737 16.2737 16.4529 16.4529 k = 0.1200 0.5000-0.0000 ( 2532 PWs) bands (ev): -77.3975 -77.3975 -43.0761 -43.0761 -41.3466 -41.3466 -41.3356 -41.3356 -34.7783 -34.7783 -13.8142 -13.8142 -13.3156 -13.3156 -13.1381 -13.1381 10.9624 10.9624 11.4756 11.4756 12.3302 12.3302 12.9861 12.9861 13.1089 13.1089 13.3136 13.3136 14.3412 14.3412 15.1091 15.1091 16.2808 16.2808 16.4930 16.4930 k = 0.1300 0.5000-0.0000 ( 2536 PWs) bands (ev): -77.3977 -77.3977 -43.0762 -43.0762 -41.3467 -41.3467 -41.3358 -41.3358 -34.7777 -34.7777 -13.8145 -13.8145 -13.3180 -13.3180 -13.1405 -13.1405 10.9700 10.9700 11.4865 11.4865 12.3372 12.3372 12.9747 12.9747 13.1183 13.1183 13.2869 13.2869 14.3318 14.3318 15.1554 15.1554 16.2872 16.2872 16.5354 16.5354 k = 0.1400 0.5000-0.0000 ( 2532 PWs) bands (ev): -77.3975 -77.3975 -43.0762 -43.0762 -41.3467 -41.3467 -41.3359 -41.3359 -34.7770 -34.7770 -13.8148 -13.8148 -13.3206 -13.3206 -13.1428 -13.1428 10.9771 10.9771 11.4968 11.4968 12.3464 12.3464 12.9627 12.9627 13.1319 13.1319 13.2609 13.2609 14.3225 14.3225 15.2040 15.2040 16.2929 16.2929 16.5798 16.5798 k = 0.1500 0.5000-0.0000 ( 2536 PWs) bands (ev): -77.3977 -77.3977 -43.0764 -43.0764 -41.3468 -41.3468 -41.3361 -41.3361 -34.7763 -34.7763 -13.8152 -13.8152 -13.3234 -13.3234 -13.1451 -13.1451 10.9835 10.9835 11.5061 11.5061 12.3578 12.3578 12.9488 12.9488 13.1470 13.1470 13.2345 13.2345 14.3129 14.3129 15.2544 15.2544 16.2977 16.2977 16.6258 16.6258 k = 0.1600 0.5000-0.0000 ( 2532 PWs) bands (ev): -77.3975 -77.3975 -43.0764 -43.0764 -41.3468 -41.3468 -41.3362 -41.3362 -34.7755 -34.7755 -13.8157 -13.8157 -13.3265 -13.3265 -13.1473 -13.1473 10.9892 10.9892 11.5143 11.5143 12.3723 12.3723 12.9348 12.9348 13.1593 13.1593 13.2158 13.2158 14.3041 14.3041 15.3064 15.3064 16.3012 16.3012 16.6736 16.6736 k = 0.1700 0.5000-0.0000 ( 2534 PWs) bands (ev): -77.3976 -77.3976 -43.0765 -43.0765 -41.3468 -41.3468 -41.3364 -41.3364 -34.7747 -34.7747 -13.8162 -13.8162 -13.3298 -13.3298 -13.1495 -13.1495 10.9939 10.9939 11.5212 11.5212 12.3881 12.3881 12.9195 12.9195 13.1521 13.1521 13.2206 13.2206 14.2948 14.2948 15.3599 15.3599 16.3031 16.3031 16.7226 16.7226 k = 0.1800 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3977 -77.3977 -43.0767 -43.0767 -41.3469 -41.3469 -41.3366 -41.3366 -34.7739 -34.7739 -13.8168 -13.8168 -13.3334 -13.3334 -13.1516 -13.1516 10.9973 10.9973 11.5266 11.5266 12.4071 12.4071 12.9032 12.9032 13.1278 13.1278 13.2459 13.2459 14.2857 14.2857 15.4144 15.4144 16.3035 16.3035 16.7725 16.7725 k = 0.1900 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3977 -77.3977 -43.0768 -43.0768 -41.3470 -41.3470 -41.3367 -41.3367 -34.7731 -34.7731 -13.8175 -13.8175 -13.3371 -13.3371 -13.1535 -13.1535 10.9995 10.9995 11.5305 11.5305 12.4291 12.4291 12.8867 12.8867 13.0999 13.0999 13.2804 13.2804 14.2771 14.2771 15.4699 15.4699 16.3021 16.3021 16.8235 16.8235 k = 0.2000 0.5000-0.0000 ( 2542 PWs) bands (ev): -77.3979 -77.3979 -43.0769 -43.0769 -41.3471 -41.3471 -41.3370 -41.3370 -34.7722 -34.7722 -13.8182 -13.8182 -13.3411 -13.3411 -13.1553 -13.1553 11.0003 11.0003 11.5328 11.5328 12.4540 12.4540 12.8697 12.8697 13.0697 13.0697 13.3207 13.3207 14.2684 14.2684 15.5260 15.5260 16.2985 16.2985 16.8750 16.8750 k = 0.2100 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3977 -77.3977 -43.0770 -43.0770 -41.3471 -41.3471 -41.3371 -41.3371 -34.7713 -34.7713 -13.8191 -13.8191 -13.3452 -13.3452 -13.1570 -13.1570 10.9996 10.9996 11.5336 11.5336 12.4831 12.4831 12.8524 12.8524 13.0406 13.0406 13.3662 13.3662 14.2609 14.2609 15.5827 15.5827 16.2930 16.2930 16.9273 16.9273 k = 0.2200 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3977 -77.3977 -43.0771 -43.0771 -41.3472 -41.3472 -41.3372 -41.3372 -34.7704 -34.7704 -13.8200 -13.8200 -13.3495 -13.3495 -13.1585 -13.1585 10.9972 10.9972 11.5325 11.5325 12.5145 12.5145 12.8353 12.8353 13.0118 13.0118 13.4161 13.4161 14.2532 14.2532 15.6394 15.6394 16.2850 16.2850 16.9800 16.9800 k = 0.2300 0.5000-0.0000 ( 2542 PWs) bands (ev): -77.3978 -77.3978 -43.0772 -43.0772 -41.3473 -41.3473 -41.3374 -41.3374 -34.7695 -34.7695 -13.8210 -13.8210 -13.3539 -13.3539 -13.1599 -13.1599 10.9936 10.9936 11.5303 11.5303 12.5487 12.5487 12.8174 12.8174 12.9818 12.9818 13.4708 13.4708 14.2458 14.2458 15.6961 15.6961 16.2743 16.2743 17.0324 17.0324 k = 0.2400 0.5000-0.0000 ( 2546 PWs) bands (ev): -77.3980 -77.3980 -43.0774 -43.0774 -41.3475 -41.3475 -41.3376 -41.3376 -34.7686 -34.7686 -13.8222 -13.8222 -13.3584 -13.3584 -13.1611 -13.1611 10.9886 10.9886 11.5267 11.5267 12.5850 12.5850 12.7996 12.7996 12.9531 12.9531 13.5296 13.5296 14.2391 14.2391 15.7526 15.7526 16.2607 16.2607 17.0849 17.0849 k = 0.2500 0.5000-0.0000 ( 2546 PWs) bands (ev): -77.3980 -77.3980 -43.0775 -43.0775 -41.3476 -41.3476 -41.3377 -41.3377 -34.7677 -34.7677 -13.8234 -13.8234 -13.3630 -13.3630 -13.1622 -13.1622 10.9823 10.9823 11.5220 11.5220 12.6243 12.6243 12.7820 12.7820 12.9258 12.9258 13.5924 13.5924 14.2333 14.2333 15.8085 15.8085 16.2445 16.2445 17.1372 17.1372 k = 0.2600 0.5000-0.0000 ( 2546 PWs) bands (ev): -77.3980 -77.3980 -43.0776 -43.0776 -41.3477 -41.3477 -41.3378 -41.3378 -34.7668 -34.7668 -13.8247 -13.8247 -13.3676 -13.3676 -13.1631 -13.1631 10.9747 10.9747 11.5162 11.5162 12.6648 12.6648 12.7654 12.7654 12.9002 12.9002 13.6589 13.6589 14.2280 14.2280 15.8635 15.8635 16.2255 16.2255 17.1892 17.1892 k = 0.2700 0.5000-0.0000 ( 2542 PWs) bands (ev): -77.3978 -77.3978 -43.0777 -43.0777 -41.3477 -41.3477 -41.3379 -41.3379 -34.7658 -34.7658 -13.8261 -13.8261 -13.3722 -13.3722 -13.1639 -13.1639 10.9662 10.9662 11.5096 11.5096 12.7029 12.7029 12.7530 12.7530 12.8776 12.8776 13.7287 13.7287 14.2236 14.2236 15.9176 15.9176 16.2038 16.2038 17.2406 17.2406 k = 0.2800 0.5000-0.0000 ( 2546 PWs) bands (ev): -77.3979 -77.3979 -43.0778 -43.0778 -41.3479 -41.3479 -41.3381 -41.3381 -34.7649 -34.7649 -13.8276 -13.8276 -13.3767 -13.3767 -13.1645 -13.1645 10.9565 10.9565 11.5021 11.5021 12.7145 12.7145 12.7616 12.7616 12.8619 12.8619 13.8015 13.8015 14.2189 14.2189 15.9702 15.9702 16.1788 16.1788 17.2909 17.2909 k = 0.2900 0.5000-0.0000 ( 2546 PWs) bands (ev): -77.3979 -77.3979 -43.0779 -43.0779 -41.3480 -41.3480 -41.3382 -41.3382 -34.7640 -34.7640 -13.8292 -13.8292 -13.3813 -13.3813 -13.1651 -13.1651 10.9461 10.9461 11.4941 11.4941 12.7024 12.7024 12.7756 12.7756 12.8691 12.8691 13.8770 13.8770 14.2157 14.2157 16.0210 16.0210 16.1508 16.1508 17.3406 17.3406 k = 0.3000 0.5000-0.0000 ( 2552 PWs) bands (ev): -77.3981 -77.3981 -43.0781 -43.0781 -41.3482 -41.3482 -41.3384 -41.3384 -34.7631 -34.7631 -13.8308 -13.8308 -13.3857 -13.3857 -13.1655 -13.1655 10.9348 10.9348 11.4854 11.4854 12.6863 12.6863 12.7677 12.7677 12.9047 12.9047 13.9546 13.9546 14.2124 14.2124 16.0691 16.0691 16.1200 16.1200 17.3892 17.3892 k = 0.3100 0.5000-0.0000 ( 2540 PWs) bands (ev): -77.3976 -77.3976 -43.0781 -43.0781 -41.3482 -41.3482 -41.3383 -41.3383 -34.7623 -34.7623 -13.8325 -13.8325 -13.3900 -13.3900 -13.1658 -13.1658 10.9234 10.9234 11.4766 11.4766 12.6709 12.6709 12.7516 12.7516 12.9555 12.9555 14.0341 14.0341 14.2123 14.2123 16.0827 16.0827 16.1193 16.1193 17.4373 17.4373 k = 0.3200 0.5000-0.0000 ( 2544 PWs) bands (ev): -77.3977 -77.3977 -43.0782 -43.0782 -41.3484 -41.3484 -41.3385 -41.3385 -34.7614 -34.7614 -13.8343 -13.8343 -13.3942 -13.3942 -13.1661 -13.1661 10.9112 10.9112 11.4670 11.4670 12.6541 12.6541 12.7318 12.7318 13.0109 13.0109 14.1138 14.1138 14.2132 14.2132 16.0466 16.0466 16.1619 16.1619 17.4833 17.4833 k = 0.3300 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3974 -77.3974 -43.0782 -43.0782 -41.3484 -41.3484 -41.3385 -41.3385 -34.7606 -34.7606 -13.8361 -13.8361 -13.3982 -13.3982 -13.1662 -13.1662 10.8992 10.8992 11.4583 11.4583 12.6379 12.6379 12.7119 12.7119 13.0698 13.0698 14.1848 14.1848 14.2259 14.2259 16.0066 16.0066 16.2036 16.2036 17.5279 17.5279 k = 0.3400 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3974 -77.3974 -43.0783 -43.0783 -41.3486 -41.3486 -41.3386 -41.3386 -34.7598 -34.7598 -13.8379 -13.8379 -13.4021 -13.4021 -13.1664 -13.1664 10.8870 10.8870 11.4491 11.4491 12.6220 12.6220 12.6926 12.6926 13.1300 13.1300 14.2048 14.2048 14.2905 14.2905 15.9635 15.9635 16.2418 16.2418 17.5709 17.5709 k = 0.3500 0.5000-0.0000 ( 2546 PWs) bands (ev): -77.3978 -77.3978 -43.0785 -43.0785 -41.3488 -41.3488 -41.3387 -41.3387 -34.7590 -34.7590 -13.8397 -13.8397 -13.4058 -13.4058 -13.1664 -13.1664 10.8747 10.8747 11.4397 11.4397 12.6059 12.6059 12.6730 12.6730 13.1908 13.1908 14.2089 14.2089 14.3723 14.3723 15.9176 15.9176 16.2763 16.2763 17.6116 17.6116 k = 0.3600 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3974 -77.3974 -43.0785 -43.0785 -41.3488 -41.3488 -41.3387 -41.3387 -34.7583 -34.7583 -13.8416 -13.8416 -13.4093 -13.4093 -13.1664 -13.1664 10.8628 10.8628 11.4314 11.4314 12.5915 12.5915 12.6561 12.6561 13.2528 13.2528 14.2134 14.2134 14.4561 14.4561 15.8694 15.8694 16.3081 16.3081 17.6512 17.6512 k = 0.3700 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3974 -77.3974 -43.0786 -43.0786 -41.3489 -41.3489 -41.3388 -41.3388 -34.7576 -34.7576 -13.8434 -13.8434 -13.4125 -13.4125 -13.1664 -13.1664 10.8510 10.8510 11.4227 11.4227 12.5775 12.5775 12.6397 12.6397 13.3139 13.3139 14.2192 14.2192 14.5396 14.5396 15.8186 15.8186 16.3355 16.3355 17.6884 17.6884 k = 0.3800 0.5000-0.0000 ( 2538 PWs) bands (ev): -77.3974 -77.3974 -43.0786 -43.0786 -41.3491 -41.3491 -41.3388 -41.3388 -34.7570 -34.7570 -13.8451 -13.8451 -13.4155 -13.4155 -13.1663 -13.1663 10.8397 10.8397 11.4145 11.4145 12.5642 12.5642 12.6244 12.6244 13.3747 13.3747 14.2258 14.2258 14.6221 14.6221 15.7661 15.7661 16.3587 16.3587 17.7233 17.7233 k = 0.3900 0.5000-0.0000 ( 2534 PWs) bands (ev): -77.3972 -77.3972 -43.0787 -43.0787 -41.3491 -41.3491 -41.3388 -41.3388 -34.7564 -34.7564 -13.8468 -13.8468 -13.4183 -13.4183 -13.1662 -13.1662 10.8292 10.8292 11.4067 11.4067 12.5516 12.5516 12.6104 12.6104 13.4356 13.4356 14.2344 14.2344 14.7031 14.7031 15.7123 15.7123 16.3778 16.3778 17.7560 17.7560 k = 0.4000 0.5000-0.0000 ( 2534 PWs) bands (ev): -77.3972 -77.3972 -43.0787 -43.0787 -41.3492 -41.3492 -41.3389 -41.3389 -34.7558 -34.7558 -13.8484 -13.8484 -13.4209 -13.4209 -13.1661 -13.1661 10.8190 10.8190 11.3995 11.3995 12.5399 12.5399 12.5975 12.5975 13.4927 13.4927 14.2451 14.2451 14.7819 14.7819 15.6572 15.6572 16.3928 16.3928 17.7862 17.7862 k = 0.4100 0.5000-0.0000 ( 2534 PWs) bands (ev): -77.3972 -77.3972 -43.0788 -43.0788 -41.3493 -41.3493 -41.3389 -41.3389 -34.7553 -34.7553 -13.8500 -13.8500 -13.4232 -13.4232 -13.1660 -13.1660 10.8097 10.8097 11.3927 11.3927 12.5292 12.5292 12.5858 12.5858 13.5467 13.5467 14.2582 14.2582 14.8577 14.8577 15.6015 15.6015 16.4037 16.4037 17.8139 17.8139 k = 0.4200 0.5000-0.0000 ( 2532 PWs) bands (ev): -77.3970 -77.3970 -43.0788 -43.0788 -41.3494 -41.3494 -41.3389 -41.3389 -34.7548 -34.7548 -13.8514 -13.8514 -13.4253 -13.4253 -13.1659 -13.1659 10.8011 10.8011 11.3867 11.3867 12.5195 12.5195 12.5755 12.5755 13.5966 13.5966 14.2744 14.2744 14.9299 14.9299 15.5458 15.5458 16.4109 16.4109 17.8392 17.8392 k = 0.4300 0.5000-0.0000 ( 2530 PWs) bands (ev): -77.3969 -77.3969 -43.0788 -43.0788 -41.3495 -41.3495 -41.3389 -41.3389 -34.7544 -34.7544 -13.8527 -13.8527 -13.4271 -13.4271 -13.1658 -13.1658 10.7935 10.7935 11.3816 11.3816 12.5108 12.5108 12.5662 12.5662 13.6420 13.6420 14.2929 14.2929 14.9974 14.9974 15.4911 15.4911 16.4147 16.4147 17.8615 17.8615 k = 0.4400 0.5000-0.0000 ( 2522 PWs) bands (ev): -77.3966 -77.3966 -43.0788 -43.0788 -41.3495 -41.3495 -41.3389 -41.3389 -34.7540 -34.7540 -13.8538 -13.8538 -13.4287 -13.4287 -13.1657 -13.1657 10.7868 10.7868 11.3771 11.3771 12.5036 12.5036 12.5587 12.5587 13.6835 13.6835 14.3137 14.3137 15.0593 15.0593 15.4385 15.4385 16.4158 16.4158 17.8814 17.8814 k = 0.4500 0.5000-0.0000 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0788 -43.0788 -41.3495 -41.3495 -41.3389 -41.3389 -34.7537 -34.7537 -13.8548 -13.8548 -13.4301 -13.4301 -13.1656 -13.1656 10.7811 10.7811 11.3729 11.3729 12.4971 12.4971 12.5519 12.5519 13.7181 13.7181 14.3361 14.3361 15.1144 15.1144 15.3890 15.3890 16.4142 16.4142 17.8980 17.8980 k = 0.4600 0.5000-0.0000 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0788 -43.0788 -41.3496 -41.3496 -41.3389 -41.3389 -34.7534 -34.7534 -13.8557 -13.8557 -13.4312 -13.4312 -13.1655 -13.1655 10.7762 10.7762 11.3695 11.3695 12.4917 12.4917 12.5464 12.5464 13.7456 13.7456 14.3587 14.3587 15.1616 15.1616 15.3443 15.3443 16.4110 16.4110 17.9115 17.9115 k = 0.4700 0.5000-0.0000 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0788 -43.0788 -41.3496 -41.3496 -41.3389 -41.3389 -34.7532 -34.7532 -13.8563 -13.8563 -13.4320 -13.4320 -13.1654 -13.1654 10.7724 10.7724 11.3668 11.3668 12.4874 12.4874 12.5420 12.5420 13.7668 13.7668 14.3798 14.3798 15.1999 15.1999 15.3063 15.3063 16.4073 16.4073 17.9219 17.9219 k = 0.4800 0.5000-0.0000 ( 2524 PWs) bands (ev): -77.3966 -77.3966 -43.0789 -43.0789 -41.3496 -41.3496 -41.3389 -41.3389 -34.7531 -34.7531 -13.8568 -13.8568 -13.4326 -13.4326 -13.1653 -13.1653 10.7696 10.7696 11.3648 11.3648 12.4839 12.4839 12.5385 12.5385 13.7816 13.7816 14.3968 14.3968 15.2279 15.2279 15.2772 15.2772 16.4039 16.4039 17.9287 17.9287 k = 0.4900 0.5000-0.0000 ( 2528 PWs) bands (ev): -77.3968 -77.3968 -43.0790 -43.0790 -41.3497 -41.3497 -41.3390 -41.3390 -34.7530 -34.7530 -13.8571 -13.8571 -13.4330 -13.4330 -13.1653 -13.1653 10.7679 10.7679 11.3635 11.3635 12.4818 12.4818 12.5364 12.5364 13.7897 13.7897 14.4082 14.4082 15.2440 15.2440 15.2599 15.2599 16.4013 16.4013 17.9319 17.9319 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -77.3975 -77.3975 -43.0792 -43.0792 -41.3499 -41.3499 -41.3391 -41.3391 -34.7530 -34.7530 -13.8572 -13.8572 -13.4331 -13.4331 -13.1653 -13.1653 10.7668 10.7668 11.3620 11.3620 12.4801 12.4801 12.5346 12.5346 13.7915 13.7915 14.4116 14.4116 15.2465 15.2465 15.2568 15.2568 16.3993 16.3993 17.9321 17.9321 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -77.3975 -77.3975 -43.0792 -43.0792 -41.3499 -41.3499 -41.3391 -41.3391 -34.7530 -34.7530 -13.8572 -13.8572 -13.4331 -13.4331 -13.1653 -13.1653 10.7668 10.7668 11.3620 11.3620 12.4801 12.4801 12.5346 12.5346 13.7915 13.7915 14.4116 14.4116 15.2465 15.2465 15.2568 15.2568 16.3993 16.3993 17.9321 17.9321 k = 0.4930 0.4930-0.0000 ( 2532 PWs) bands (ev): -77.3970 -77.3970 -43.0790 -43.0790 -41.3498 -41.3498 -41.3390 -41.3390 -34.7530 -34.7530 -13.8571 -13.8571 -13.4330 -13.4330 -13.1653 -13.1653 10.7677 10.7677 11.3630 11.3630 12.4816 12.4816 12.5362 12.5362 13.7896 13.7896 14.4082 14.4082 15.2466 15.2466 15.2573 15.2573 16.4009 16.4009 17.9318 17.9318 k = 0.4859 0.4859-0.0000 ( 2524 PWs) bands (ev): -77.3966 -77.3966 -43.0789 -43.0789 -41.3497 -41.3497 -41.3389 -41.3389 -34.7531 -34.7531 -13.8568 -13.8568 -13.4327 -13.4327 -13.1653 -13.1653 10.7694 10.7694 11.3644 11.3644 12.4842 12.4842 12.5388 12.5388 13.7818 13.7818 14.3966 14.3966 15.2446 15.2446 15.2611 15.2611 16.4036 16.4036 17.9287 17.9287 k = 0.4789 0.4789-0.0000 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0788 -43.0788 -41.3496 -41.3496 -41.3389 -41.3389 -34.7532 -34.7532 -13.8563 -13.8563 -13.4320 -13.4320 -13.1654 -13.1654 10.7722 10.7722 11.3668 11.3668 12.4873 12.4873 12.5421 12.5421 13.7678 13.7678 14.3762 14.3762 15.2388 15.2388 15.2702 15.2702 16.4078 16.4078 17.9216 17.9216 k = 0.4718 0.4718-0.0000 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0788 -43.0788 -41.3496 -41.3496 -41.3389 -41.3389 -34.7534 -34.7534 -13.8556 -13.8556 -13.4312 -13.4312 -13.1655 -13.1655 10.7758 10.7758 11.3695 11.3695 12.4913 12.4913 12.5465 12.5465 13.7484 13.7484 14.3478 14.3478 15.2307 15.2307 15.2832 15.2832 16.4125 16.4125 17.9111 17.9111 k = 0.4648 0.4648-0.0000 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0788 -43.0788 -41.3495 -41.3495 -41.3389 -41.3389 -34.7537 -34.7537 -13.8548 -13.8548 -13.4301 -13.4301 -13.1656 -13.1656 10.7801 10.7801 11.3731 11.3731 12.4963 12.4963 12.5524 12.5524 13.7241 13.7241 14.3117 14.3117 15.2213 15.2213 15.2997 15.2997 16.4175 16.4175 17.8974 17.8974 k = 0.4577 0.4577-0.0000 ( 2526 PWs) bands (ev): -77.3968 -77.3968 -43.0788 -43.0788 -41.3495 -41.3495 -41.3389 -41.3389 -34.7540 -34.7540 -13.8537 -13.8537 -13.4288 -13.4288 -13.1657 -13.1657 10.7846 10.7846 11.3769 11.3769 12.5020 12.5020 12.5596 12.5596 13.6947 13.6947 14.2676 14.2676 15.2112 15.2112 15.3189 15.3189 16.4218 16.4218 17.8807 17.8807 k = 0.4507 0.4507-0.0000 ( 2526 PWs) bands (ev): -77.3968 -77.3968 -43.0788 -43.0788 -41.3494 -41.3494 -41.3389 -41.3389 -34.7544 -34.7544 -13.8525 -13.8525 -13.4272 -13.4272 -13.1658 -13.1658 10.7898 10.7898 11.3822 11.3822 12.5086 12.5086 12.5686 12.5686 13.6620 13.6620 14.2172 14.2172 15.2014 15.2014 15.3404 15.3404 16.4258 16.4258 17.8613 17.8613 k = 0.4437 0.4437-0.0000 ( 2524 PWs) bands (ev): -77.3967 -77.3967 -43.0787 -43.0787 -41.3493 -41.3493 -41.3388 -41.3388 -34.7548 -34.7548 -13.8511 -13.8511 -13.4254 -13.4254 -13.1659 -13.1659 10.7951 10.7951 11.3888 11.3888 12.5160 12.5160 12.5797 12.5797 13.6251 13.6251 14.1603 14.1603 15.1921 15.1921 15.3638 15.3638 16.4289 16.4289 17.8397 17.8397 k = 0.4366 0.4366-0.0000 ( 2534 PWs) bands (ev): -77.3971 -77.3971 -43.0788 -43.0788 -41.3493 -41.3493 -41.3389 -41.3389 -34.7553 -34.7553 -13.8495 -13.8495 -13.4234 -13.4234 -13.1661 -13.1661 10.7998 10.7998 11.3960 11.3960 12.5231 12.5231 12.5909 12.5909 13.5839 13.5839 14.0979 14.0979 15.1835 15.1835 15.3884 15.3884 16.4299 16.4299 17.8142 17.8142 k = 0.4296 0.4296-0.0000 ( 2538 PWs) bands (ev): -77.3973 -77.3973 -43.0788 -43.0788 -41.3493 -41.3493 -41.3389 -41.3389 -34.7558 -34.7558 -13.8477 -13.8477 -13.4212 -13.4212 -13.1663 -13.1663 10.8039 10.8039 11.4045 11.4045 12.5309 12.5309 12.6045 12.6045 13.5407 13.5407 14.0312 14.0312 15.1764 15.1764 15.4141 15.4141 16.4291 16.4291 17.7873 17.7873 k = 0.4225 0.4225-0.0000 ( 2538 PWs) bands (ev): -77.3973 -77.3973 -43.0787 -43.0787 -41.3491 -41.3491 -41.3389 -41.3389 -34.7564 -34.7564 -13.8458 -13.8458 -13.4187 -13.4187 -13.1664 -13.1664 10.8069 10.8069 11.4141 11.4141 12.5396 12.5396 12.6200 12.6200 13.4961 13.4961 13.9609 13.9609 15.1706 15.1706 15.4404 15.4404 16.4261 16.4261 17.7584 17.7584 k = 0.4155 0.4155-0.0000 ( 2542 PWs) bands (ev): -77.3975 -77.3975 -43.0787 -43.0787 -41.3491 -41.3491 -41.3389 -41.3389 -34.7571 -34.7571 -13.8437 -13.8437 -13.4160 -13.4160 -13.1666 -13.1666 10.8081 10.8081 11.4246 11.4246 12.5487 12.5487 12.6371 12.6371 13.4495 13.4495 13.8872 13.8872 15.1663 15.1663 15.4670 15.4670 16.4203 16.4203 17.7275 17.7275 k = 0.4085 0.4085-0.0000 ( 2542 PWs) bands (ev): -77.3976 -77.3976 -43.0786 -43.0786 -41.3489 -41.3489 -41.3388 -41.3388 -34.7578 -34.7578 -13.8414 -13.8414 -13.4130 -13.4130 -13.1668 -13.1668 10.8072 10.8072 11.4369 11.4369 12.5583 12.5583 12.6557 12.6557 13.4011 13.4011 13.8125 13.8125 15.1634 15.1634 15.4936 15.4936 16.4127 16.4127 17.6950 17.6950 k = 0.4014 0.4014-0.0000 ( 2536 PWs) bands (ev): -77.3973 -77.3973 -43.0784 -43.0784 -41.3487 -41.3487 -41.3388 -41.3388 -34.7585 -34.7585 -13.8389 -13.8389 -13.4099 -13.4099 -13.1670 -13.1670 10.8043 10.8043 11.4511 11.4511 12.5683 12.5683 12.6760 12.6760 13.3518 13.3518 13.7374 13.7374 15.1622 15.1622 15.5201 15.5201 16.4031 16.4031 17.6613 17.6613 k = 0.3944 0.3944-0.0000 ( 2536 PWs) bands (ev): -77.3973 -77.3973 -43.0783 -43.0783 -41.3485 -41.3485 -41.3387 -41.3387 -34.7593 -34.7593 -13.8363 -13.8363 -13.4065 -13.4065 -13.1672 -13.1672 10.7974 10.7974 11.4663 11.4663 12.5787 12.5787 12.6972 12.6972 13.3008 13.3008 13.6621 13.6621 15.1624 15.1624 15.5459 15.5459 16.3910 16.3910 17.6261 17.6261 k = 0.3873 0.3873-0.0000 ( 2544 PWs) bands (ev): -77.3977 -77.3977 -43.0784 -43.0784 -41.3484 -41.3484 -41.3388 -41.3388 -34.7602 -34.7602 -13.8335 -13.8335 -13.4029 -13.4029 -13.1674 -13.1674 10.7865 10.7865 11.4829 11.4829 12.5893 12.5893 12.7189 12.7189 13.2475 13.2475 13.5878 13.5878 15.1641 15.1641 15.5705 15.5705 16.3768 16.3768 17.5894 17.5894 k = 0.3803 0.3803-0.0000 ( 2552 PWs) bands (ev): -77.3981 -77.3981 -43.0784 -43.0784 -41.3483 -41.3483 -41.3388 -41.3388 -34.7611 -34.7611 -13.8306 -13.8306 -13.3991 -13.3991 -13.1676 -13.1676 10.7714 10.7714 11.5005 11.5005 12.6004 12.6004 12.7418 12.7418 13.1945 13.1945 13.5150 13.5150 15.1665 15.1665 15.5947 15.5947 16.3605 16.3605 17.5522 17.5522 k = 0.3732 0.3732-0.0000 ( 2556 PWs) bands (ev): -77.3983 -77.3983 -43.0783 -43.0783 -41.3481 -41.3481 -41.3388 -41.3388 -34.7620 -34.7620 -13.8275 -13.8275 -13.3951 -13.3951 -13.1678 -13.1678 10.7516 10.7516 11.5198 11.5198 12.6121 12.6121 12.7659 12.7659 13.1403 13.1403 13.4455 13.4455 15.1715 15.1715 15.6177 15.6177 16.3430 16.3430 17.5149 17.5149 k = 0.3662 0.3662-0.0000 ( 2552 PWs) bands (ev): -77.3981 -77.3981 -43.0781 -43.0781 -41.3479 -41.3479 -41.3387 -41.3387 -34.7630 -34.7630 -13.8243 -13.8243 -13.3909 -13.3909 -13.1680 -13.1680 10.7268 10.7268 11.5405 11.5405 12.6245 12.6245 12.7913 12.7913 13.0876 13.0876 13.3796 13.3796 15.1784 15.1784 15.6401 15.6401 16.3241 16.3241 17.4774 17.4774 k = 0.3592 0.3592-0.0000 ( 2552 PWs) bands (ev): -77.3981 -77.3981 -43.0780 -43.0780 -41.3476 -41.3476 -41.3387 -41.3387 -34.7640 -34.7640 -13.8209 -13.8209 -13.3866 -13.3866 -13.1682 -13.1682 10.6967 10.6967 11.5621 11.5621 12.6370 12.6370 12.8153 12.8153 13.0352 13.0352 13.3181 13.3181 15.1868 15.1868 15.6613 15.6613 16.3043 16.3043 17.4395 17.4395 k = 0.3521 0.3521-0.0000 ( 2552 PWs) bands (ev): -77.3981 -77.3981 -43.0779 -43.0779 -41.3474 -41.3474 -41.3386 -41.3386 -34.7651 -34.7651 -13.8174 -13.8174 -13.3820 -13.3820 -13.1684 -13.1684 10.6608 10.6608 11.5844 11.5844 12.6498 12.6498 12.8385 12.8385 12.9841 12.9841 13.2612 13.2612 15.1973 15.1973 15.6812 15.6812 16.2837 16.2837 17.4022 17.4022 k = 0.3451 0.3451-0.0000 ( 2554 PWs) bands (ev): -77.3983 -77.3983 -43.0778 -43.0778 -41.3472 -41.3472 -41.3386 -41.3386 -34.7662 -34.7662 -13.8138 -13.8138 -13.3773 -13.3773 -13.1685 -13.1685 10.6191 10.6191 11.6071 11.6071 12.6630 12.6630 12.8552 12.8552 12.9393 12.9393 13.2094 13.2094 15.2097 15.2097 15.6997 15.6997 16.2626 16.2626 17.3655 17.3655 k = 0.3380 0.3380-0.0000 ( 2554 PWs) bands (ev): -77.3983 -77.3983 -43.0777 -43.0777 -41.3470 -41.3470 -41.3385 -41.3385 -34.7674 -34.7674 -13.8101 -13.8101 -13.3724 -13.3724 -13.1686 -13.1686 10.5718 10.5718 11.6298 11.6298 12.6762 12.6762 12.8447 12.8447 12.9221 12.9221 13.1638 13.1638 15.2242 15.2242 15.7172 15.7172 16.2415 16.2415 17.3296 17.3296 k = 0.3310 0.3310-0.0000 ( 2562 PWs) bands (ev): -77.3987 -77.3987 -43.0776 -43.0776 -41.3468 -41.3468 -41.3386 -41.3386 -34.7685 -34.7685 -13.8063 -13.8063 -13.3673 -13.3673 -13.1688 -13.1688 10.5188 10.5188 11.6523 11.6523 12.6880 12.6880 12.8034 12.8034 12.9340 12.9340 13.1246 13.1246 15.2406 15.2406 15.7333 15.7333 16.2207 16.2207 17.2947 17.2947 k = 0.3239 0.3239-0.0000 ( 2554 PWs) bands (ev): -77.3983 -77.3983 -43.0774 -43.0774 -41.3465 -41.3465 -41.3384 -41.3384 -34.7698 -34.7698 -13.8023 -13.8023 -13.3621 -13.3621 -13.1688 -13.1688 10.4606 10.4606 11.6748 11.6748 12.6987 12.6987 12.7581 12.7581 12.9527 12.9527 13.0948 13.0948 15.2597 15.2597 15.7485 15.7485 16.2007 16.2007 17.2612 17.2612 k = 0.3169 0.3169-0.0000 ( 2554 PWs) bands (ev): -77.3983 -77.3983 -43.0772 -43.0772 -41.3462 -41.3462 -41.3384 -41.3384 -34.7710 -34.7710 -13.7983 -13.7983 -13.3567 -13.3567 -13.1689 -13.1689 10.3973 10.3973 11.6957 11.6957 12.6863 12.6863 12.7337 12.7337 12.9666 12.9666 13.0761 13.0761 15.2803 15.2803 15.7625 15.7625 16.1817 16.1817 17.2294 17.2294 k = 0.3099 0.3099-0.0000 ( 2550 PWs) bands (ev): -77.3982 -77.3982 -43.0770 -43.0770 -41.3459 -41.3459 -41.3382 -41.3382 -34.7723 -34.7723 -13.7942 -13.7942 -13.3512 -13.3512 -13.1689 -13.1689 10.3293 10.3293 11.7155 11.7155 12.6419 12.6419 12.7414 12.7414 12.9711 12.9711 13.0738 13.0738 15.3031 15.3031 15.7753 15.7753 16.1644 16.1644 17.1997 17.1997 k = 0.3028 0.3028-0.0000 ( 2550 PWs) bands (ev): -77.3982 -77.3982 -43.0769 -43.0769 -41.3456 -41.3456 -41.3382 -41.3382 -34.7736 -34.7736 -13.7900 -13.7900 -13.3455 -13.3455 -13.1689 -13.1689 10.2570 10.2570 11.7334 11.7334 12.5920 12.5920 12.7550 12.7550 12.9656 12.9656 13.0854 13.0854 15.3275 15.3275 15.7870 15.7870 16.1489 16.1489 17.1719 17.1719 k = 0.2958 0.2958-0.0000 ( 2550 PWs) bands (ev): -77.3982 -77.3982 -43.0767 -43.0767 -41.3453 -41.3453 -41.3381 -41.3381 -34.7750 -34.7750 -13.7857 -13.7857 -13.3398 -13.3398 -13.1689 -13.1689 10.1807 10.1807 11.7495 11.7495 12.5408 12.5408 12.7709 12.7709 12.9568 12.9568 13.1044 13.1044 15.3538 15.3538 15.7978 15.7978 16.1359 16.1359 17.1466 17.1466 k = 0.2887 0.2887-0.0000 ( 2556 PWs) bands (ev): -77.3985 -77.3985 -43.0766 -43.0766 -41.3451 -41.3451 -41.3380 -41.3380 -34.7763 -34.7763 -13.7814 -13.7814 -13.3339 -13.3339 -13.1688 -13.1688 10.1010 10.1010 11.7634 11.7634 12.4901 12.4901 12.7862 12.7862 12.9474 12.9474 13.1263 13.1263 15.3813 15.3813 15.8074 15.8074 16.1260 16.1260 17.1238 17.1238 k = 0.2817 0.2817-0.0000 ( 2554 PWs) bands (ev): -77.3984 -77.3984 -43.0764 -43.0764 -41.3448 -41.3448 -41.3379 -41.3379 -34.7777 -34.7777 -13.7770 -13.7770 -13.3279 -13.3279 -13.1687 -13.1687 10.0187 10.0187 11.7749 11.7749 12.4398 12.4398 12.8020 12.8020 12.9422 12.9422 13.1505 13.1505 15.4098 15.4098 15.8162 15.8162 16.1199 16.1199 17.1039 17.1039 k = 0.2746 0.2746-0.0000 ( 2546 PWs) bands (ev): -77.3981 -77.3981 -43.0762 -43.0762 -41.3444 -41.3444 -41.3378 -41.3378 -34.7791 -34.7791 -13.7726 -13.7726 -13.3218 -13.3218 -13.1685 -13.1685 9.9343 9.9343 11.7842 11.7842 12.3908 12.3908 12.8180 12.8180 12.9404 12.9404 13.1751 13.1751 15.4389 15.4389 15.8248 15.8248 16.1183 16.1183 17.0873 17.0873 k = 0.2676 0.2676-0.0000 ( 2544 PWs) bands (ev): -77.3980 -77.3980 -43.0760 -43.0760 -41.3441 -41.3441 -41.3378 -41.3378 -34.7805 -34.7805 -13.7681 -13.7681 -13.3157 -13.3157 -13.1683 -13.1683 9.8478 9.8478 11.7908 11.7908 12.3420 12.3420 12.8338 12.8338 12.9417 12.9417 13.1975 13.1975 15.4678 15.4678 15.8320 15.8320 16.1220 16.1220 17.0738 17.0738 k = 0.2606 0.2606-0.0000 ( 2544 PWs) bands (ev): -77.3981 -77.3981 -43.0758 -43.0758 -41.3438 -41.3438 -41.3377 -41.3377 -34.7820 -34.7820 -13.7636 -13.7636 -13.3095 -13.3095 -13.1681 -13.1681 9.7598 9.7598 11.7949 11.7949 12.2939 12.2939 12.8496 12.8496 12.9450 12.9450 13.2190 13.2190 15.4959 15.4959 15.8384 15.8384 16.1317 16.1317 17.0638 17.0638 k = 0.2535 0.2535-0.0000 ( 2532 PWs) bands (ev): -77.3976 -77.3976 -43.0755 -43.0755 -41.3434 -41.3434 -41.3375 -41.3375 -34.7834 -34.7834 -13.7591 -13.7591 -13.3032 -13.3032 -13.1678 -13.1678 9.6707 9.6707 11.7977 11.7977 12.2471 12.2471 12.8662 12.8662 12.9513 12.9513 13.2401 13.2401 15.5236 15.5236 15.8446 15.8446 16.1483 16.1483 17.0575 17.0575 k = 0.2465 0.2465-0.0000 ( 2528 PWs) bands (ev): -77.3974 -77.3974 -43.0753 -43.0753 -41.3430 -41.3430 -41.3374 -41.3374 -34.7849 -34.7849 -13.7546 -13.7546 -13.2969 -13.2969 -13.1675 -13.1675 9.5812 9.5812 11.7967 11.7967 12.2008 12.2008 12.8820 12.8820 12.9593 12.9593 13.2601 13.2601 15.5481 15.5481 15.8501 15.8501 16.1722 16.1722 17.0551 17.0551 k = 0.2394 0.2394-0.0000 ( 2536 PWs) bands (ev): -77.3978 -77.3978 -43.0752 -43.0752 -41.3428 -41.3428 -41.3374 -41.3374 -34.7863 -34.7863 -13.7501 -13.7501 -13.2905 -13.2905 -13.1671 -13.1671 9.4912 9.4912 11.7933 11.7933 12.1545 12.1545 12.8959 12.8959 12.9684 12.9684 13.2770 13.2770 15.5699 15.5699 15.8542 15.8542 16.2040 16.2040 17.0565 17.0565 k = 0.2324 0.2324-0.0000 ( 2536 PWs) bands (ev): -77.3979 -77.3979 -43.0751 -43.0751 -41.3425 -41.3425 -41.3373 -41.3373 -34.7878 -34.7878 -13.7456 -13.7456 -13.2842 -13.2842 -13.1667 -13.1667 9.4013 9.4013 11.7876 11.7876 12.1099 12.1099 12.9111 12.9111 12.9794 12.9794 13.2928 13.2928 15.5891 15.5891 15.8582 15.8582 16.2438 16.2438 17.0621 17.0621 k = 0.2254 0.2254-0.0000 ( 2536 PWs) bands (ev): -77.3979 -77.3979 -43.0749 -43.0749 -41.3422 -41.3422 -41.3373 -41.3373 -34.7893 -34.7893 -13.7412 -13.7412 -13.2778 -13.2778 -13.1662 -13.1662 9.3118 9.3118 11.7797 11.7797 12.0662 12.0662 12.9262 12.9262 12.9914 12.9914 13.3068 13.3068 15.6058 15.6058 15.8618 15.8618 16.2913 16.2913 17.0717 17.0717 k = 0.2183 0.2183-0.0000 ( 2536 PWs) bands (ev): -77.3979 -77.3979 -43.0748 -43.0748 -41.3419 -41.3419 -41.3372 -41.3372 -34.7907 -34.7907 -13.7367 -13.7367 -13.2714 -13.2714 -13.1657 -13.1657 9.2229 9.2229 11.7699 11.7699 12.0235 12.0235 12.9414 12.9414 13.0037 13.0037 13.3193 13.3193 15.6201 15.6201 15.8650 15.8650 16.3460 16.3460 17.0855 17.0855 k = 0.2113 0.2113-0.0000 ( 2542 PWs) bands (ev): -77.3983 -77.3983 -43.0747 -43.0747 -41.3417 -41.3417 -41.3372 -41.3372 -34.7922 -34.7922 -13.7324 -13.7324 -13.2651 -13.2651 -13.1652 -13.1652 9.1350 9.1350 11.7579 11.7579 11.9809 11.9809 12.9559 12.9559 13.0170 13.0170 13.3289 13.3289 15.6326 15.6326 15.8673 15.8673 16.4073 16.4073 17.1035 17.1035 k = 0.2042 0.2042-0.0000 ( 2550 PWs) bands (ev): -77.3986 -77.3986 -43.0746 -43.0746 -41.3414 -41.3414 -41.3372 -41.3372 -34.7936 -34.7936 -13.7280 -13.7280 -13.2587 -13.2587 -13.1646 -13.1646 9.0482 9.0482 11.7440 11.7440 11.9397 11.9397 12.9701 12.9701 13.0305 13.0305 13.3364 13.3364 15.6430 15.6430 15.8689 15.8689 16.4743 16.4743 17.1256 17.1256 k = 0.1972 0.1972-0.0000 ( 2550 PWs) bands (ev): -77.3987 -77.3987 -43.0745 -43.0745 -41.3411 -41.3411 -41.3371 -41.3371 -34.7951 -34.7951 -13.7238 -13.7238 -13.2525 -13.2525 -13.1640 -13.1640 8.9628 8.9628 11.7292 11.7292 11.9002 11.9002 12.9842 12.9842 13.0443 13.0443 13.3432 13.3432 15.6532 15.6532 15.8710 15.8710 16.5464 16.5464 17.1518 17.1518 k = 0.1901 0.1901-0.0000 ( 2550 PWs) bands (ev): -77.3987 -77.3987 -43.0743 -43.0743 -41.3408 -41.3408 -41.3371 -41.3371 -34.7965 -34.7965 -13.7196 -13.7196 -13.2463 -13.2463 -13.1633 -13.1633 8.8790 8.8790 11.7131 11.7131 11.8619 11.8619 12.9980 12.9980 13.0580 13.0580 13.3484 13.3484 15.6628 15.6628 15.8728 15.8728 16.6228 16.6228 17.1819 17.1819 k = 0.1831 0.1831-0.0000 ( 2548 PWs) bands (ev): -77.3987 -77.3987 -43.0741 -43.0741 -41.3405 -41.3405 -41.3370 -41.3370 -34.7979 -34.7979 -13.7154 -13.7154 -13.2401 -13.2401 -13.1626 -13.1626 8.7970 8.7970 11.6960 11.6960 11.8247 11.8247 13.0116 13.0116 13.0719 13.0719 13.3521 13.3521 15.6722 15.6722 15.8744 15.8744 16.7030 16.7030 17.2158 17.2159 k = 0.1761 0.1761-0.0000 ( 2540 PWs) bands (ev): -77.3983 -77.3983 -43.0739 -43.0739 -41.3402 -41.3402 -41.3368 -41.3368 -34.7992 -34.7992 -13.7114 -13.7114 -13.2340 -13.2340 -13.1619 -13.1619 8.7170 8.7170 11.6782 11.6782 11.7892 11.7892 13.0255 13.0255 13.0852 13.0852 13.3560 13.3560 15.6816 15.6816 15.8756 15.8756 16.7860 16.7860 17.2536 17.2536 k = 0.1690 0.1690-0.0000 ( 2544 PWs) bands (ev): -77.3986 -77.3986 -43.0738 -43.0738 -41.3399 -41.3399 -41.3368 -41.3368 -34.8006 -34.8006 -13.7075 -13.7075 -13.2281 -13.2281 -13.1611 -13.1611 8.6390 8.6390 11.6591 11.6591 11.7539 11.7539 13.0383 13.0383 13.0972 13.0972 13.3562 13.3562 15.6911 15.6911 15.8766 15.8766 16.8714 16.8714 17.2946 17.2946 k = 0.1620 0.1620-0.0000 ( 2544 PWs) bands (ev): -77.3986 -77.3986 -43.0737 -43.0737 -41.3397 -41.3397 -41.3368 -41.3368 -34.8019 -34.8019 -13.7037 -13.7037 -13.2222 -13.2222 -13.1603 -13.1603 8.5633 8.5633 11.6397 11.6397 11.7204 11.7204 13.0507 13.0507 13.1093 13.1093 13.3554 13.3554 15.7007 15.7007 15.8776 15.8776 16.9587 16.9587 17.3389 17.3389 k = 0.1549 0.1549-0.0000 ( 2544 PWs) bands (ev): -77.3986 -77.3986 -43.0735 -43.0735 -41.3394 -41.3394 -41.3367 -41.3367 -34.8032 -34.8032 -13.6999 -13.6999 -13.2165 -13.2165 -13.1595 -13.1595 8.4899 8.4899 11.6198 11.6198 11.6881 11.6881 13.0628 13.0628 13.1207 13.1207 13.3535 13.3535 15.7106 15.7106 15.8785 15.8785 17.0472 17.0472 17.3863 17.3863 k = 0.1479 0.1479-0.0000 ( 2544 PWs) bands (ev): -77.3987 -77.3987 -43.0734 -43.0734 -41.3391 -41.3391 -41.3366 -41.3366 -34.8044 -34.8044 -13.6964 -13.6964 -13.2109 -13.2109 -13.1587 -13.1587 8.4191 8.4191 11.5997 11.5997 11.6572 11.6572 13.0744 13.0744 13.1315 13.1315 13.3506 13.3506 15.7208 15.7208 15.8794 15.8794 17.1365 17.1365 17.4363 17.4363 k = 0.1408 0.1408-0.0000 ( 2542 PWs) bands (ev): -77.3986 -77.3986 -43.0732 -43.0732 -41.3388 -41.3388 -41.3366 -41.3366 -34.8057 -34.8057 -13.6929 -13.6929 -13.2055 -13.2055 -13.1579 -13.1579 8.3509 8.3509 11.5797 11.5797 11.6271 11.6271 13.0863 13.0863 13.1427 13.1427 13.3465 13.3465 15.7315 15.7315 15.8795 15.8795 17.2261 17.2261 17.4887 17.4887 k = 0.1338 0.1338-0.0000 ( 2538 PWs) bands (ev): -77.3985 -77.3985 -43.0730 -43.0730 -41.3385 -41.3385 -41.3365 -41.3365 -34.8068 -34.8068 -13.6896 -13.6896 -13.2003 -13.2003 -13.1570 -13.1570 8.2854 8.2854 11.5597 11.5597 11.5994 11.5994 13.0971 13.0971 13.1521 13.1521 13.3425 13.3425 15.7422 15.7422 15.8805 15.8805 17.3154 17.3154 17.5433 17.5433 k = 0.1268 0.1268-0.0000 ( 2542 PWs) bands (ev): -77.3987 -77.3987 -43.0730 -43.0730 -41.3384 -41.3384 -41.3365 -41.3365 -34.8080 -34.8080 -13.6864 -13.6864 -13.1952 -13.1952 -13.1562 -13.1562 8.2227 8.2227 11.5396 11.5396 11.5719 11.5719 13.1072 13.1072 13.1604 13.1604 13.3374 13.3374 15.7529 15.7529 15.8804 15.8804 17.4038 17.4038 17.5996 17.5996 k = 0.1197 0.1197-0.0000 ( 2538 PWs) bands (ev): -77.3985 -77.3985 -43.0728 -43.0728 -41.3381 -41.3381 -41.3364 -41.3364 -34.8091 -34.8091 -13.6833 -13.6833 -13.1903 -13.1903 -13.1554 -13.1554 8.1629 8.1629 11.5200 11.5200 11.5465 11.5465 13.1169 13.1169 13.1685 13.1685 13.3329 13.3329 15.7639 15.7639 15.8810 15.8810 17.4910 17.4910 17.6573 17.6573 k = 0.1127 0.1127-0.0000 ( 2542 PWs) bands (ev): -77.3988 -77.3988 -43.0728 -43.0728 -41.3379 -41.3379 -41.3364 -41.3364 -34.8101 -34.8101 -13.6804 -13.6804 -13.1856 -13.1856 -13.1545 -13.1545 8.1061 8.1061 11.5008 11.5008 11.5220 11.5220 13.1257 13.1257 13.1747 13.1747 13.3272 13.3272 15.7748 15.7748 15.8812 15.8812 17.5763 17.5763 17.7160 17.7160 k = 0.1056 0.1056-0.0000 ( 2534 PWs) bands (ev): -77.3984 -77.3984 -43.0726 -43.0726 -41.3376 -41.3376 -41.3363 -41.3363 -34.8111 -34.8111 -13.6777 -13.6777 -13.1811 -13.1811 -13.1537 -13.1537 8.0525 8.0525 11.4826 11.4826 11.4998 11.4998 13.1344 13.1344 13.1818 13.1818 13.3223 13.3223 15.7859 15.7859 15.8820 15.8820 17.6597 17.6597 17.7753 17.7753 k = 0.0986 0.0986-0.0000 ( 2528 PWs) bands (ev): -77.3982 -77.3982 -43.0724 -43.0724 -41.3374 -41.3374 -41.3362 -41.3362 -34.8120 -34.8120 -13.6751 -13.6751 -13.1769 -13.1769 -13.1529 -13.1529 8.0020 8.0020 11.4650 11.4650 11.4785 11.4785 13.1428 13.1428 13.1876 13.1876 13.3180 13.3180 15.7968 15.7968 15.8826 15.8826 17.7401 17.7401 17.8347 17.8347 k = 0.0915 0.0915-0.0000 ( 2532 PWs) bands (ev): -77.3984 -77.3984 -43.0723 -43.0723 -41.3372 -41.3372 -41.3362 -41.3362 -34.8129 -34.8129 -13.6727 -13.6727 -13.1729 -13.1729 -13.1522 -13.1522 7.9546 7.9546 11.4479 11.4479 11.4583 11.4583 13.1499 13.1499 13.1915 13.1915 13.3120 13.3120 15.8073 15.8073 15.8828 15.8828 17.8170 17.8170 17.8935 17.8935 k = 0.0845 0.0845-0.0000 ( 2532 PWs) bands (ev): -77.3985 -77.3985 -43.0723 -43.0723 -41.3370 -41.3370 -41.3362 -41.3362 -34.8138 -34.8138 -13.6704 -13.6704 -13.1692 -13.1692 -13.1514 -13.1514 7.9105 7.9105 11.4318 11.4318 11.4400 11.4400 13.1566 13.1566 13.1945 13.1945 13.3071 13.3071 15.8177 15.8177 15.8838 15.8838 17.8902 17.8902 17.9516 17.9516 k = 0.0775 0.0775-0.0000 ( 2532 PWs) bands (ev): -77.3985 -77.3985 -43.0722 -43.0722 -41.3369 -41.3369 -41.3362 -41.3362 -34.8145 -34.8145 -13.6684 -13.6684 -13.1657 -13.1657 -13.1507 -13.1507 7.8697 7.8697 11.4167 11.4167 11.4228 11.4228 13.1627 13.1627 13.1969 13.1969 13.3033 13.3033 15.8275 15.8275 15.8840 15.8840 17.9591 17.9591 18.0084 18.0084 k = 0.0704 0.0704-0.0000 ( 2536 PWs) bands (ev): -77.3987 -77.3987 -43.0722 -43.0722 -41.3368 -41.3368 -41.3362 -41.3362 -34.8153 -34.8153 -13.6665 -13.6665 -13.1625 -13.1625 -13.1501 -13.1501 7.8323 7.8323 11.4025 11.4025 11.4070 11.4070 13.1678 13.1678 13.1978 13.1978 13.2997 13.2997 15.8367 15.8367 15.8842 15.8842 18.0232 18.0232 18.0633 18.0633 k = 0.0634 0.0634-0.0000 ( 2534 PWs) bands (ev): -77.3987 -77.3987 -43.0721 -43.0721 -41.3366 -41.3366 -41.3361 -41.3361 -34.8159 -34.8159 -13.6647 -13.6647 -13.1595 -13.1595 -13.1495 -13.1495 7.7984 7.7984 11.3896 11.3896 11.3929 11.3929 13.1728 13.1728 13.1987 13.1987 13.2974 13.2974 15.8456 15.8456 15.8847 15.8847 18.0824 18.0824 18.1158 18.1158 k = 0.0563 0.0563-0.0000 ( 2532 PWs) bands (ev): -77.3986 -77.3986 -43.0720 -43.0720 -41.3365 -41.3365 -41.3361 -41.3361 -34.8165 -34.8165 -13.6632 -13.6632 -13.1569 -13.1569 -13.1489 -13.1489 7.7679 7.7679 11.3779 11.3779 11.3801 11.3801 13.1773 13.1773 13.1989 13.1989 13.2959 13.2959 15.8537 15.8537 15.8849 15.8849 18.1363 18.1363 18.1651 18.1651 k = 0.0493 0.0493-0.0000 ( 2530 PWs) bands (ev): -77.3986 -77.3986 -43.0719 -43.0719 -41.3364 -41.3364 -41.3360 -41.3360 -34.8170 -34.8170 -13.6618 -13.6618 -13.1545 -13.1545 -13.1484 -13.1484 7.7409 7.7409 11.3678 11.3678 11.3688 11.3688 13.1811 13.1811 13.1985 13.1985 13.2949 13.2949 15.8612 15.8612 15.8851 15.8851 18.1847 18.1847 18.2103 18.2103 k = 0.0423 0.0423-0.0000 ( 2530 PWs) bands (ev): -77.3986 -77.3986 -43.0719 -43.0719 -41.3363 -41.3363 -41.3360 -41.3360 -34.8175 -34.8175 -13.6606 -13.6606 -13.1525 -13.1525 -13.1480 -13.1480 7.7175 7.7175 11.3586 11.3586 11.3590 11.3590 13.1843 13.1843 13.1976 13.1976 13.2943 13.2943 15.8676 15.8676 15.8852 15.8852 18.2273 18.2273 18.2507 18.2507 k = 0.0352 0.0352-0.0000 ( 2522 PWs) bands (ev): -77.3983 -77.3983 -43.0717 -43.0717 -41.3361 -41.3361 -41.3359 -41.3359 -34.8178 -34.8178 -13.6596 -13.6596 -13.1507 -13.1507 -13.1476 -13.1476 7.6976 7.6976 11.3510 11.3510 11.3515 11.3515 13.1875 13.1875 13.1971 13.1971 13.2945 13.2945 15.8733 15.8733 15.8858 15.8858 18.2641 18.2641 18.2853 18.2853 k = 0.0282 0.0282-0.0000 ( 2522 PWs) bands (ev): -77.3983 -77.3983 -43.0717 -43.0717 -41.3361 -41.3361 -41.3359 -41.3359 -34.8182 -34.8182 -13.6587 -13.6587 -13.1493 -13.1493 -13.1473 -13.1473 7.6813 7.6813 11.3445 11.3445 11.3447 11.3447 13.1897 13.1897 13.1960 13.1960 13.2945 13.2945 15.8779 15.8779 15.8859 15.8859 18.2947 18.2947 18.3130 18.3130 k = 0.0211 0.0211-0.0000 ( 2518 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3360 -41.3360 -41.3359 -41.3359 -34.8184 -34.8184 -13.6581 -13.6581 -13.1482 -13.1482 -13.1470 -13.1470 7.6687 7.6687 11.3397 11.3397 11.3400 11.3400 13.1915 13.1915 13.1951 13.1951 13.2947 13.2947 15.8817 15.8817 15.8864 15.8864 18.3189 18.3189 18.3327 18.3327 k = 0.0141 0.0141-0.0000 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8186 -34.8186 -13.6576 -13.6576 -13.1474 -13.1474 -13.1469 -13.1469 7.6596 7.6596 11.3361 11.3361 11.3362 11.3362 13.1928 13.1928 13.1944 13.1944 13.2948 13.2948 15.8843 15.8843 15.8864 15.8864 18.3364 18.3364 18.3440 18.3440 k = 0.0070 0.0070-0.0000 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8187 -34.8187 -13.6574 -13.6574 -13.1469 -13.1469 -13.1467 -13.1467 7.6541 7.6541 11.3339 11.3339 11.3339 11.3339 13.1935 13.1935 13.1939 13.1939 13.2949 13.2949 15.8859 15.8859 15.8864 15.8864 18.3470 18.3470 18.3491 18.3491 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8187 -34.8187 -13.6573 -13.6573 -13.1467 -13.1467 -13.1467 -13.1467 7.6523 7.6523 11.3332 11.3332 11.3332 11.3332 13.1937 13.1937 13.1937 13.1937 13.2949 13.2949 15.8864 15.8864 15.8864 15.8864 18.3505 18.3505 18.3505 18.3505 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8187 -34.8187 -13.6573 -13.6573 -13.1467 -13.1467 -13.1467 -13.1467 7.6523 7.6523 11.3332 11.3332 11.3332 11.3332 13.1937 13.1937 13.1937 13.1937 13.2949 13.2949 15.8864 15.8864 15.8864 15.8864 18.3505 18.3505 18.3505 18.3509 k = 0.0057 0.0057 0.0057 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8187 -34.8187 -13.6574 -13.6574 -13.1468 -13.1468 -13.1468 -13.1468 7.6541 7.6541 11.3339 11.3339 11.3339 11.3339 13.1935 13.1935 13.1939 13.1939 13.2949 13.2949 15.8862 15.8862 15.8862 15.8862 18.3469 18.3469 18.3492 18.3492 k = 0.0115 0.0115 0.0115 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8186 -34.8186 -13.6576 -13.6576 -13.1471 -13.1471 -13.1471 -13.1471 7.6596 7.6596 11.3361 11.3361 11.3362 11.3362 13.1927 13.1927 13.1945 13.1945 13.2948 13.2948 15.8853 15.8853 15.8854 15.8854 18.3356 18.3356 18.3451 18.3451 k = 0.0172 0.0172 0.0172 ( 2517 PWs) bands (ev): -77.3981 -77.3981 -43.0716 -43.0716 -41.3359 -41.3359 -41.3359 -41.3359 -34.8184 -34.8184 -13.6581 -13.6581 -13.1477 -13.1477 -13.1475 -13.1475 7.6687 7.6687 11.3398 11.3398 11.3399 11.3399 13.1915 13.1915 13.1954 13.1954 13.2948 13.2948 15.8839 15.8839 15.8842 15.8842 18.3155 18.3155 18.3383 18.3383 k = 0.0230 0.0230 0.0230 ( 2523 PWs) bands (ev): -77.3983 -77.3983 -43.0717 -43.0717 -41.3360 -41.3360 -41.3360 -41.3360 -34.8182 -34.8182 -13.6587 -13.6587 -13.1485 -13.1485 -13.1481 -13.1481 7.6813 7.6813 11.3446 11.3446 11.3447 11.3447 13.1893 13.1893 13.1959 13.1959 13.2943 13.2943 15.8818 15.8818 15.8822 15.8822 18.2862 18.2862 18.3288 18.3288 k = 0.0287 0.0287 0.0287 ( 2529 PWs) bands (ev): -77.3986 -77.3986 -43.0718 -43.0718 -41.3361 -41.3361 -41.3361 -41.3361 -34.8178 -34.8178 -13.6596 -13.6596 -13.1494 -13.1494 -13.1489 -13.1489 7.6975 7.6975 11.3506 11.3506 11.3507 11.3507 13.1866 13.1866 13.1969 13.1969 13.2943 13.2943 15.8790 15.8790 15.8797 15.8797 18.2485 18.2485 18.3165 18.3165 k = 0.0345 0.0345 0.0345 ( 2529 PWs) bands (ev): -77.3985 -77.3985 -43.0719 -43.0719 -41.3362 -41.3362 -41.3361 -41.3361 -34.8175 -34.8175 -13.6606 -13.6606 -13.1506 -13.1506 -13.1498 -13.1498 7.7174 7.7174 11.3587 11.3587 11.3588 11.3588 13.1838 13.1838 13.1979 13.1979 13.2947 13.2947 15.8762 15.8762 15.8771 15.8771 18.2030 18.2030 18.3018 18.3018 k = 0.0402 0.0402 0.0402 ( 2529 PWs) bands (ev): -77.3985 -77.3985 -43.0719 -43.0719 -41.3362 -41.3362 -41.3362 -41.3362 -34.8170 -34.8170 -13.6618 -13.6618 -13.1520 -13.1520 -13.1510 -13.1510 7.7408 7.7408 11.3682 11.3682 11.3684 11.3684 13.1804 13.1804 13.1985 13.1985 13.2956 13.2956 15.8729 15.8729 15.8742 15.8742 18.1504 18.1504 18.2845 18.2845 k = 0.0460 0.0460 0.0460 ( 2529 PWs) bands (ev): -77.3985 -77.3985 -43.0720 -43.0720 -41.3363 -41.3363 -41.3362 -41.3362 -34.8165 -34.8165 -13.6631 -13.6631 -13.1536 -13.1536 -13.1522 -13.1522 7.7678 7.7678 11.3791 11.3791 11.3794 11.3794 13.1765 13.1765 13.1986 13.1986 13.2970 13.2970 15.8693 15.8693 15.8709 15.8709 18.0916 18.0916 18.2646 18.2646 k = 0.0517 0.0517 0.0517 ( 2529 PWs) bands (ev): -77.3985 -77.3985 -43.0720 -43.0720 -41.3364 -41.3364 -41.3363 -41.3363 -34.8159 -34.8159 -13.6647 -13.6647 -13.1554 -13.1554 -13.1537 -13.1537 7.7983 7.7983 11.3914 11.3914 11.3918 11.3918 13.1721 13.1721 13.1980 13.1980 13.2991 13.2991 15.8654 15.8654 15.8674 15.8674 18.0273 18.0273 18.2423 18.2423 k = 0.0575 0.0575 0.0575 ( 2529 PWs) bands (ev): -77.3984 -77.3984 -43.0721 -43.0721 -41.3364 -41.3364 -41.3364 -41.3364 -34.8152 -34.8152 -13.6664 -13.6664 -13.1574 -13.1574 -13.1553 -13.1553 7.8322 7.8322 11.4047 11.4047 11.4052 11.4052 13.1669 13.1669 13.1966 13.1966 13.3027 13.3027 15.8610 15.8610 15.8635 15.8635 17.9586 17.9586 18.2176 18.2176 k = 0.0632 0.0632 0.0632 ( 2529 PWs) bands (ev): -77.3984 -77.3984 -43.0722 -43.0722 -41.3365 -41.3365 -41.3365 -41.3365 -34.8145 -34.8145 -13.6682 -13.6682 -13.1596 -13.1596 -13.1571 -13.1571 7.8695 7.8695 11.4197 11.4197 11.4203 11.4203 13.1613 13.1613 13.1938 13.1938 13.3062 13.3062 15.8567 15.8567 15.8597 15.8597 17.8857 17.8857 18.1905 18.1905 k = 0.0690 0.0690 0.0690 ( 2538 PWs) bands (ev): -77.3987 -77.3987 -43.0724 -43.0724 -41.3367 -41.3367 -41.3366 -41.3366 -34.8138 -34.8138 -13.6702 -13.6702 -13.1620 -13.1620 -13.1590 -13.1590 7.9101 7.9101 11.4355 11.4355 11.4362 11.4362 13.1543 13.1543 13.1892 13.1892 13.3099 13.3099 15.8516 15.8516 15.8551 15.8551 17.8097 17.8097 18.1611 18.1611 k = 0.0747 0.0747 0.0747 ( 2538 PWs) bands (ev): -77.3987 -77.3987 -43.0724 -43.0724 -41.3368 -41.3368 -41.3367 -41.3367 -34.8129 -34.8129 -13.6724 -13.6724 -13.1645 -13.1645 -13.1611 -13.1611 7.9542 7.9542 11.4529 11.4529 11.4539 11.4539 13.1475 13.1475 13.1842 13.1842 13.3145 13.3145 15.8472 15.8472 15.8513 15.8513 17.7314 17.7314 18.1295 18.1295 k = 0.0805 0.0805 0.0805 ( 2538 PWs) bands (ev): -77.3987 -77.3987 -43.0725 -43.0725 -41.3370 -41.3370 -41.3368 -41.3368 -34.8120 -34.8120 -13.6748 -13.6748 -13.1672 -13.1672 -13.1634 -13.1634 8.0015 8.0015 11.4716 11.4716 11.4727 11.4727 13.1402 13.1402 13.1780 13.1780 13.3194 13.3194 15.8429 15.8429 15.8476 15.8476 17.6516 17.6516 18.0959 18.0959 k = 0.0862 0.0862 0.0862 ( 2538 PWs) bands (ev): -77.3986 -77.3986 -43.0726 -43.0726 -41.3371 -41.3371 -41.3369 -41.3369 -34.8111 -34.8111 -13.6772 -13.6772 -13.1701 -13.1701 -13.1658 -13.1658 8.0521 8.0521 11.4915 11.4915 11.4928 11.4928 13.1322 13.1322 13.1709 13.1709 13.3243 13.3243 15.8387 15.8387 15.8440 15.8440 17.5710 17.5710 18.0603 18.0603 k = 0.0920 0.0920 0.0920 ( 2544 PWs) bands (ev): -77.3989 -77.3989 -43.0728 -43.0728 -41.3373 -41.3373 -41.3371 -41.3371 -34.8100 -34.8100 -13.6799 -13.6799 -13.1731 -13.1731 -13.1683 -13.1683 8.1057 8.1057 11.5123 11.5123 11.5137 11.5137 13.1236 13.1236 13.1625 13.1625 13.3273 13.3273 15.8347 15.8347 15.8406 15.8406 17.4902 17.4902 18.0227 18.0227 k = 0.0977 0.0977 0.0977 ( 2538 PWs) bands (ev): -77.3985 -77.3985 -43.0728 -43.0728 -41.3374 -41.3374 -41.3371 -41.3371 -34.8090 -34.8090 -13.6826 -13.6826 -13.1763 -13.1763 -13.1710 -13.1710 8.1626 8.1626 11.5344 11.5344 11.5362 11.5362 13.1155 13.1155 13.1544 13.1544 13.3315 13.3315 15.8311 15.8311 15.8376 15.8376 17.4103 17.4103 17.9837 17.9837 k = 0.1034 0.1034 0.1034 ( 2544 PWs) bands (ev): -77.3988 -77.3988 -43.0730 -43.0730 -41.3376 -41.3376 -41.3373 -41.3373 -34.8078 -34.8078 -13.6855 -13.6855 -13.1796 -13.1796 -13.1738 -13.1738 8.2223 8.2223 11.5568 11.5568 11.5588 11.5588 13.1051 13.1051 13.1439 13.1439 13.3351 13.3351 15.8277 15.8277 15.8349 15.8349 17.3316 17.3316 17.9424 17.9424 k = 0.1092 0.1092 0.1092 ( 2544 PWs) bands (ev): -77.3987 -77.3987 -43.0731 -43.0731 -41.3378 -41.3378 -41.3374 -41.3374 -34.8067 -34.8067 -13.6885 -13.6885 -13.1830 -13.1830 -13.1768 -13.1768 8.2851 8.2851 11.5809 11.5809 11.5831 11.5831 13.0947 13.0947 13.1330 13.1330 13.3372 13.3372 15.8248 15.8248 15.8327 15.8327 17.2551 17.2551 17.8999 17.8999 k = 0.1149 0.1149 0.1149 ( 2544 PWs) bands (ev): -77.3987 -77.3987 -43.0733 -43.0733 -41.3379 -41.3379 -41.3376 -41.3376 -34.8055 -34.8055 -13.6916 -13.6916 -13.1866 -13.1866 -13.1798 -13.1798 8.3508 8.3508 11.6058 11.6058 11.6084 11.6084 13.0836 13.0836 13.1213 13.1213 13.3380 13.3380 15.8225 15.8225 15.8310 15.8310 17.1813 17.1813 17.8559 17.8559 k = 0.1207 0.1207 0.1207 ( 2539 PWs) bands (ev): -77.3984 -77.3984 -43.0733 -43.0733 -41.3380 -41.3380 -41.3377 -41.3377 -34.8042 -34.8042 -13.6949 -13.6949 -13.1902 -13.1902 -13.1830 -13.1830 8.4194 8.4194 11.6320 11.6320 11.6350 11.6350 13.0721 13.0721 13.1089 13.1089 13.3371 13.3371 15.8214 15.8214 15.8304 15.8304 17.1109 17.1109 17.8107 17.8107 k = 0.1264 0.1264 0.1264 ( 2542 PWs) bands (ev): -77.3985 -77.3985 -43.0735 -43.0735 -41.3382 -41.3382 -41.3379 -41.3379 -34.8029 -34.8029 -13.6982 -13.6982 -13.1940 -13.1940 -13.1864 -13.1864 8.4906 8.4906 11.6581 11.6581 11.6614 11.6614 13.0594 13.0594 13.0953 13.0953 13.3352 13.3352 15.8199 15.8199 15.8295 15.8295 17.0444 17.0444 17.7641 17.7641 k = 0.1322 0.1322 0.1322 ( 2542 PWs) bands (ev): -77.3985 -77.3985 -43.0737 -43.0737 -41.3384 -41.3384 -41.3380 -41.3380 -34.8015 -34.8015 -13.7017 -13.7017 -13.1979 -13.1979 -13.1898 -13.1898 8.5645 8.5645 11.6854 11.6854 11.6891 11.6891 13.0466 13.0466 13.0813 13.0813 13.3302 13.3302 15.8193 15.8193 15.8294 15.8294 16.9824 16.9824 17.7167 17.7167 k = 0.1379 0.1379 0.1379 ( 2548 PWs) bands (ev): -77.3987 -77.3987 -43.0739 -43.0739 -41.3387 -41.3387 -41.3382 -41.3382 -34.8001 -34.8001 -13.7052 -13.7052 -13.2018 -13.2018 -13.1933 -13.1933 8.6408 8.6408 11.7132 11.7132 11.7173 11.7173 13.0326 13.0326 13.0660 13.0660 13.3217 13.3217 15.8191 15.8191 15.8296 15.8296 16.9255 16.9255 17.6675 17.6675 k = 0.1437 0.1437 0.1437 ( 2536 PWs) bands (ev): -77.3981 -77.3981 -43.0739 -43.0739 -41.3388 -41.3388 -41.3383 -41.3383 -34.7987 -34.7987 -13.7088 -13.7088 -13.2059 -13.2059 -13.1970 -13.1970 8.7198 8.7198 11.7425 11.7425 11.7471 11.7471 13.0199 13.0199 13.0519 13.0519 13.3117 13.3117 15.8206 15.8206 15.8315 15.8315 16.8741 16.8741 17.6176 17.6176 k = 0.1494 0.1494 0.1494 ( 2542 PWs) bands (ev): -77.3984 -77.3984 -43.0741 -43.0741 -41.3390 -41.3390 -41.3386 -41.3386 -34.7973 -34.7973 -13.7125 -13.7125 -13.2100 -13.2100 -13.2007 -13.2007 8.8010 8.8010 11.7712 11.7712 11.7763 11.7763 13.0051 13.0051 13.0356 13.0356 13.2983 13.2983 15.8211 15.8211 15.8323 15.8323 16.8286 16.8286 17.5672 17.5672 k = 0.1552 0.1552 0.1552 ( 2542 PWs) bands (ev): -77.3983 -77.3983 -43.0743 -43.0743 -41.3392 -41.3392 -41.3387 -41.3387 -34.7958 -34.7958 -13.7163 -13.7163 -13.2141 -13.2141 -13.2046 -13.2046 8.8846 8.8846 11.8008 11.8008 11.8064 11.8064 12.9901 12.9901 13.0189 13.0189 13.2824 13.2824 15.8228 15.8228 15.8342 15.8342 16.7895 16.7895 17.5167 17.5167 k = 0.1609 0.1609 0.1609 ( 2557 PWs) bands (ev): -77.3990 -77.3990 -43.0747 -43.0747 -41.3396 -41.3396 -41.3390 -41.3390 -34.7942 -34.7942 -13.7202 -13.7202 -13.2183 -13.2183 -13.2085 -13.2085 8.9701 8.9701 11.8304 11.8304 11.8365 11.8365 12.9725 12.9725 12.9997 12.9997 13.2623 13.2623 15.8247 15.8247 15.8362 15.8362 16.7570 16.7570 17.4659 17.4659 k = 0.1667 0.1667 0.1667 ( 2557 PWs) bands (ev): -77.3989 -77.3989 -43.0748 -43.0748 -41.3398 -41.3398 -41.3392 -41.3392 -34.7927 -34.7927 -13.7241 -13.7241 -13.2226 -13.2226 -13.2125 -13.2125 9.0579 9.0579 11.8608 11.8608 11.8675 11.8675 12.9564 12.9564 12.9819 12.9819 13.2403 13.2403 15.8271 15.8271 15.8386 15.8386 16.7314 16.7314 17.4161 17.4161 k = 0.1724 0.1724 0.1724 ( 2557 PWs) bands (ev): -77.3989 -77.3989 -43.0750 -43.0750 -41.3400 -41.3400 -41.3394 -41.3394 -34.7911 -34.7911 -13.7280 -13.7280 -13.2269 -13.2269 -13.2166 -13.2166 9.1477 9.1477 11.8914 11.8914 11.8987 11.8987 12.9400 12.9400 12.9635 12.9635 13.2152 13.2152 15.8297 15.8297 15.8411 15.8411 16.7128 16.7128 17.3670 17.3670 k = 0.1782 0.1782 0.1782 ( 2542 PWs) bands (ev): -77.3982 -77.3982 -43.0750 -43.0750 -41.3400 -41.3400 -41.3395 -41.3395 -34.7895 -34.7895 -13.7320 -13.7320 -13.2313 -13.2313 -13.2208 -13.2208 9.2394 9.2394 11.9236 11.9236 11.9317 11.9317 12.9237 12.9237 12.9452 12.9452 13.1882 13.1882 15.8333 15.8333 15.8443 15.8443 16.7015 16.7015 17.3192 17.3192 k = 0.1839 0.1839 0.1839 ( 2542 PWs) bands (ev): -77.3981 -77.3981 -43.0752 -43.0752 -41.3402 -41.3402 -41.3397 -41.3397 -34.7879 -34.7879 -13.7361 -13.7361 -13.2356 -13.2356 -13.2250 -13.2250 9.3327 9.3327 11.9546 11.9546 11.9633 11.9633 12.9066 12.9066 12.9259 12.9259 13.1574 13.1574 15.8354 15.8354 15.8460 15.8460 16.6972 16.6972 17.2729 17.2729 k = 0.1897 0.1897 0.1897 ( 2542 PWs) bands (ev): -77.3981 -77.3981 -43.0753 -43.0753 -41.3405 -41.3405 -41.3399 -41.3399 -34.7862 -34.7862 -13.7402 -13.7402 -13.2400 -13.2400 -13.2293 -13.2293 9.4275 9.4275 11.9857 11.9857 11.9952 11.9952 12.8899 12.8899 12.9068 12.9068 13.1226 13.1226 15.8371 15.8371 15.8469 15.8469 16.6995 16.6995 17.2288 17.2288 k = 0.1954 0.1954 0.1954 ( 2539 PWs) bands (ev): -77.3979 -77.3979 -43.0755 -43.0755 -41.3407 -41.3407 -41.3401 -41.3401 -34.7846 -34.7846 -13.7443 -13.7443 -13.2444 -13.2444 -13.2336 -13.2336 9.5240 9.5240 12.0167 12.0167 12.0270 12.0270 12.8723 12.8723 12.8866 12.8866 13.0883 13.0883 15.8377 15.8377 15.8466 15.8466 16.7093 16.7093 17.1869 17.1869 k = 0.2011 0.2011 0.2011 ( 2539 PWs) bands (ev): -77.3979 -77.3979 -43.0757 -43.0757 -41.3409 -41.3409 -41.3403 -41.3403 -34.7829 -34.7829 -13.7485 -13.7485 -13.2488 -13.2488 -13.2380 -13.2380 9.6218 9.6218 12.0477 12.0477 12.0587 12.0587 12.8545 12.8545 12.8659 12.8659 13.0509 13.0509 15.8369 15.8369 15.8446 15.8446 16.7257 16.7257 17.1481 17.1481 k = 0.2069 0.2069 0.2069 ( 2539 PWs) bands (ev): -77.3979 -77.3979 -43.0759 -43.0759 -41.3411 -41.3411 -41.3405 -41.3405 -34.7812 -34.7812 -13.7527 -13.7527 -13.2533 -13.2533 -13.2424 -13.2424 9.7208 9.7208 12.0785 12.0785 12.0904 12.0904 12.8365 12.8365 12.8447 12.8447 13.0122 13.0122 15.8342 15.8342 15.8406 15.8406 16.7488 16.7488 17.1129 17.1129 k = 0.2126 0.2126 0.2126 ( 2539 PWs) bands (ev): -77.3978 -77.3978 -43.0761 -43.0761 -41.3413 -41.3413 -41.3407 -41.3407 -34.7795 -34.7795 -13.7569 -13.7569 -13.2577 -13.2577 -13.2469 -13.2469 9.8210 9.8210 12.1091 12.1091 12.1219 12.1219 12.8185 12.8185 12.8228 12.8228 12.9726 12.9726 15.8293 15.8293 15.8340 15.8340 16.7784 16.7784 17.0818 17.0818 k = 0.2184 0.2184 0.2184 ( 2557 PWs) bands (ev): -77.3986 -77.3986 -43.0765 -43.0765 -41.3417 -41.3417 -41.3411 -41.3411 -34.7778 -34.7778 -13.7611 -13.7611 -13.2621 -13.2621 -13.2514 -13.2514 9.9219 9.9219 12.1383 12.1383 12.1520 12.1520 12.7988 12.7988 12.7993 12.7993 12.9315 12.9315 15.8206 15.8206 15.8235 15.8235 16.8137 16.8137 17.0550 17.0550 k = 0.2241 0.2241 0.2241 ( 2557 PWs) bands (ev): -77.3986 -77.3986 -43.0767 -43.0767 -41.3420 -41.3420 -41.3413 -41.3413 -34.7761 -34.7761 -13.7653 -13.7653 -13.2665 -13.2665 -13.2559 -13.2559 10.0239 10.0239 12.1683 12.1683 12.1830 12.1830 12.7748 12.7748 12.7814 12.7814 12.8921 12.8921 15.8095 15.8095 15.8104 15.8104 16.8553 16.8553 17.0340 17.0340 k = 0.2299 0.2299 0.2299 ( 2554 PWs) bands (ev): -77.3984 -77.3984 -43.0768 -43.0768 -41.3421 -41.3421 -41.3416 -41.3416 -34.7744 -34.7744 -13.7695 -13.7695 -13.2709 -13.2709 -13.2604 -13.2604 10.1266 10.1266 12.1983 12.1983 12.2140 12.2140 12.7491 12.7491 12.7634 12.7634 12.8546 12.8546 15.7935 15.7935 15.7948 15.7948 16.9027 16.9027 17.0186 17.0186 k = 0.2356 0.2356 0.2356 ( 2560 PWs) bands (ev): -77.3986 -77.3986 -43.0771 -43.0771 -41.3424 -41.3424 -41.3418 -41.3418 -34.7726 -34.7726 -13.7737 -13.7737 -13.2752 -13.2752 -13.2650 -13.2650 10.2297 10.2297 12.2273 12.2273 12.2440 12.2440 12.7205 12.7205 12.7455 12.7455 12.8181 12.8181 15.7722 15.7722 15.7759 15.7759 16.9546 16.9546 17.0096 17.0096 k = 0.2414 0.2414 0.2414 ( 2548 PWs) bands (ev): -77.3981 -77.3981 -43.0771 -43.0771 -41.3426 -41.3426 -41.3419 -41.3419 -34.7709 -34.7709 -13.7779 -13.7779 -13.2796 -13.2796 -13.2695 -13.2695 10.3334 10.3334 12.2571 12.2571 12.2747 12.2747 12.6901 12.6901 12.7289 12.7289 12.7864 12.7864 15.7478 15.7478 15.7539 15.7539 17.0005 17.0005 17.0088 17.0088 k = 0.2471 0.2471 0.2471 ( 2542 PWs) bands (ev): -77.3978 -77.3978 -43.0773 -43.0773 -41.3427 -41.3427 -41.3421 -41.3421 -34.7692 -34.7692 -13.7821 -13.7821 -13.2839 -13.2839 -13.2740 -13.2740 10.4375 10.4375 12.2853 12.2853 12.3038 12.3038 12.6574 12.6574 12.7123 12.7123 12.7581 12.7581 15.7182 15.7182 15.7267 15.7267 17.0072 17.0072 17.0105 17.0105 k = 0.2529 0.2529 0.2529 ( 2542 PWs) bands (ev): -77.3977 -77.3977 -43.0775 -43.0775 -41.3429 -41.3429 -41.3423 -41.3423 -34.7675 -34.7675 -13.7863 -13.7863 -13.2881 -13.2881 -13.2786 -13.2786 10.5415 10.5415 12.3127 12.3127 12.3320 12.3320 12.6223 12.6223 12.6959 12.6959 12.7324 12.7324 15.6846 15.6846 15.6953 15.6953 17.0164 17.0164 17.0183 17.0183 k = 0.2586 0.2586 0.2586 ( 2542 PWs) bands (ev): -77.3977 -77.3977 -43.0777 -43.0777 -41.3431 -41.3431 -41.3425 -41.3425 -34.7658 -34.7658 -13.7904 -13.7904 -13.2924 -13.2924 -13.2831 -13.2831 10.6455 10.6455 12.3393 12.3393 12.3590 12.3590 12.5868 12.5868 12.6801 12.6801 12.7091 12.7091 15.6471 15.6471 15.6600 15.6600 17.0313 17.0313 17.0320 17.0320 k = 0.2644 0.2644 0.2644 ( 2542 PWs) bands (ev): -77.3977 -77.3977 -43.0778 -43.0778 -41.3434 -41.3434 -41.3428 -41.3428 -34.7640 -34.7640 -13.7945 -13.7945 -13.2966 -13.2966 -13.2876 -13.2876 10.7493 10.7493 12.3649 12.3649 12.3839 12.3839 12.5526 12.5526 12.6652 12.6652 12.6876 12.6876 15.6061 15.6061 15.6211 15.6211 17.0513 17.0513 17.0515 17.0515 k = 0.2701 0.2701 0.2701 ( 2533 PWs) bands (ev): -77.3972 -77.3972 -43.0779 -43.0779 -41.3434 -41.3434 -41.3429 -41.3429 -34.7623 -34.7623 -13.7986 -13.7986 -13.3007 -13.3007 -13.2921 -13.2921 10.8527 10.8527 12.3898 12.3898 12.4053 12.4053 12.5229 12.5229 12.6521 12.6521 12.6682 12.6682 15.5624 15.5624 15.5793 15.5793 17.0763 17.0763 17.0772 17.0772 k = 0.2759 0.2759 0.2759 ( 2533 PWs) bands (ev): -77.3972 -77.3972 -43.0781 -43.0781 -41.3437 -41.3437 -41.3431 -41.3431 -34.7607 -34.7607 -13.8027 -13.8027 -13.3048 -13.3048 -13.2966 -13.2966 10.9556 10.9556 12.4126 12.4126 12.4152 12.4152 12.5041 12.5041 12.6398 12.6398 12.6493 12.6493 15.5156 15.5156 15.5342 15.5342 17.1058 17.1058 17.1073 17.1073 k = 0.2816 0.2816 0.2816 ( 2521 PWs) bands (ev): -77.3966 -77.3966 -43.0781 -43.0781 -41.3438 -41.3438 -41.3432 -41.3432 -34.7590 -34.7590 -13.8067 -13.8067 -13.3089 -13.3089 -13.3010 -13.3010 11.0579 11.0579 12.4063 12.4063 12.4343 12.4343 12.5061 12.5061 12.6304 12.6304 12.6325 12.6325 15.4668 15.4668 15.4870 15.4870 17.1403 17.1403 17.1422 17.1422 k = 0.2874 0.2874 0.2874 ( 2521 PWs) bands (ev): -77.3966 -77.3966 -43.0783 -43.0783 -41.3440 -41.3440 -41.3434 -41.3434 -34.7573 -34.7573 -13.8107 -13.8107 -13.3129 -13.3129 -13.3054 -13.3054 11.1592 11.1592 12.3834 12.3834 12.4521 12.4521 12.5215 12.5215 12.6158 12.6158 12.6229 12.6229 15.4157 15.4157 15.4372 15.4372 17.1786 17.1786 17.1807 17.1807 k = 0.2931 0.2931 0.2931 ( 2515 PWs) bands (ev): -77.3963 -77.3963 -43.0784 -43.0784 -41.3441 -41.3441 -41.3436 -41.3436 -34.7557 -34.7557 -13.8146 -13.8146 -13.3169 -13.3169 -13.3097 -13.3097 11.2597 11.2597 12.3571 12.3571 12.4662 12.4662 12.5418 12.5418 12.6011 12.6011 12.6200 12.6200 15.3631 15.3631 15.3859 15.3859 17.2206 17.2206 17.2228 17.2228 k = 0.2989 0.2989 0.2989 ( 2515 PWs) bands (ev): -77.3963 -77.3963 -43.0786 -43.0786 -41.3443 -41.3443 -41.3439 -41.3439 -34.7541 -34.7541 -13.8185 -13.8185 -13.3208 -13.3208 -13.3140 -13.3140 11.3588 11.3588 12.3303 12.3303 12.4753 12.4753 12.5600 12.5600 12.5901 12.5901 12.6213 12.6213 15.3090 15.3090 15.3328 15.3328 17.2660 17.2660 17.2683 17.2683 k = 0.3046 0.3046 0.3046 ( 2515 PWs) bands (ev): -77.3962 -77.3962 -43.0788 -43.0788 -41.3445 -41.3445 -41.3441 -41.3441 -34.7524 -34.7524 -13.8223 -13.8223 -13.3246 -13.3246 -13.3182 -13.3182 11.4566 11.4566 12.3047 12.3047 12.4792 12.4792 12.5616 12.5616 12.5969 12.5969 12.6278 12.6278 15.2538 15.2538 15.2785 15.2785 17.3145 17.3145 17.3167 17.3167 k = 0.3103 0.3103 0.3103 ( 2509 PWs) bands (ev): -77.3959 -77.3959 -43.0789 -43.0789 -41.3446 -41.3446 -41.3442 -41.3442 -34.7509 -34.7509 -13.8261 -13.8261 -13.3284 -13.3284 -13.3224 -13.3224 11.5528 11.5528 12.2809 12.2809 12.4792 12.4792 12.5515 12.5515 12.6171 12.6171 12.6395 12.6395 15.1980 15.1980 15.2235 15.2235 17.3659 17.3659 17.3679 17.3679 k = 0.3161 0.3161 0.3161 ( 2509 PWs) bands (ev): -77.3959 -77.3959 -43.0791 -43.0791 -41.3448 -41.3448 -41.3444 -41.3444 -34.7493 -34.7493 -13.8298 -13.8298 -13.3321 -13.3321 -13.3265 -13.3265 11.6473 11.6473 12.2593 12.2593 12.4753 12.4753 12.5391 12.5391 12.6392 12.6392 12.6541 12.6541 15.1414 15.1414 15.1676 15.1676 17.4196 17.4196 17.4214 17.4214 k = 0.3218 0.3218 0.3218 ( 2509 PWs) bands (ev): -77.3958 -77.3958 -43.0792 -43.0792 -41.3450 -41.3450 -41.3446 -41.3446 -34.7478 -34.7478 -13.8335 -13.8335 -13.3358 -13.3358 -13.3305 -13.3305 11.7399 11.7399 12.2403 12.2403 12.4696 12.4696 12.5269 12.5269 12.6613 12.6613 12.6705 12.6705 15.0840 15.0840 15.1107 15.1107 17.4757 17.4757 17.4772 17.4772 k = 0.3276 0.3276 0.3276 ( 2515 PWs) bands (ev): -77.3961 -77.3961 -43.0795 -43.0795 -41.3453 -41.3453 -41.3448 -41.3448 -34.7463 -34.7463 -13.8371 -13.8371 -13.3394 -13.3394 -13.3345 -13.3345 11.8298 11.8298 12.2226 12.2226 12.4624 12.4624 12.5151 12.5151 12.6832 12.6832 12.6886 12.6886 15.0267 15.0267 15.0537 15.0537 17.5337 17.5337 17.5348 17.5348 k = 0.3333 0.3333 0.3333 ( 2509 PWs) bands (ev): -77.3958 -77.3958 -43.0796 -43.0796 -41.3454 -41.3454 -41.3449 -41.3449 -34.7448 -34.7448 -13.8406 -13.8406 -13.3429 -13.3429 -13.3383 -13.3383 11.9178 11.9178 12.2084 12.2084 12.4549 12.4549 12.5043 12.5043 12.7056 12.7056 12.7084 12.7084 14.9700 14.9700 14.9973 14.9973 17.5934 17.5934 17.5942 17.5942 k = 0.3391 0.3391 0.3391 ( 2515 PWs) bands (ev): -77.3960 -77.3960 -43.0798 -43.0798 -41.3457 -41.3457 -41.3452 -41.3452 -34.7433 -34.7433 -13.8440 -13.8440 -13.3463 -13.3463 -13.3421 -13.3421 12.0027 12.0027 12.1972 12.1972 12.4463 12.4463 12.4933 12.4933 12.7269 12.7269 12.7277 12.7277 14.9125 14.9125 14.9400 14.9400 17.6543 17.6543 17.6547 17.6547 k = 0.3448 0.3448 0.3448 ( 2515 PWs) bands (ev): -77.3960 -77.3960 -43.0800 -43.0800 -41.3458 -41.3458 -41.3454 -41.3454 -34.7419 -34.7419 -13.8474 -13.8474 -13.3497 -13.3497 -13.3458 -13.3458 12.0830 12.0830 12.1908 12.1908 12.4385 12.4385 12.4838 12.4838 12.7474 12.7474 12.7478 12.7478 14.8555 14.8555 14.8832 14.8832 17.7167 17.7167 17.7168 17.7168 k = 0.3506 0.3506 0.3506 ( 2509 PWs) bands (ev): -77.3957 -77.3957 -43.0800 -43.0800 -41.3459 -41.3459 -41.3456 -41.3456 -34.7405 -34.7405 -13.8506 -13.8506 -13.3529 -13.3529 -13.3494 -13.3494 12.1457 12.1457 12.2015 12.2015 12.4316 12.4316 12.4760 12.4760 12.7677 12.7677 12.7686 12.7686 14.7994 14.7994 14.8270 14.8270 17.7800 17.7800 17.7802 17.7802 k = 0.3563 0.3563 0.3563 ( 2509 PWs) bands (ev): -77.3957 -77.3957 -43.0802 -43.0802 -41.3460 -41.3460 -41.3457 -41.3457 -34.7392 -34.7392 -13.8538 -13.8538 -13.3561 -13.3561 -13.3529 -13.3529 12.1609 12.1609 12.2595 12.2595 12.4244 12.4244 12.4679 12.4679 12.7874 12.7874 12.7888 12.7888 14.7432 14.7432 14.7708 14.7708 17.8440 17.8440 17.8446 17.8446 k = 0.3621 0.3621 0.3621 ( 2509 PWs) bands (ev): -77.3957 -77.3957 -43.0803 -43.0803 -41.3462 -41.3462 -41.3459 -41.3459 -34.7379 -34.7379 -13.8569 -13.8569 -13.3592 -13.3592 -13.3563 -13.3563 12.1618 12.1618 12.3314 12.3314 12.4175 12.4175 12.4605 12.4605 12.8072 12.8072 12.8087 12.8087 14.6877 14.6877 14.7150 14.7150 17.9086 17.9086 17.9095 17.9095 k = 0.3678 0.3678 0.3678 ( 2509 PWs) bands (ev): -77.3956 -77.3956 -43.0805 -43.0805 -41.3463 -41.3463 -41.3461 -41.3461 -34.7366 -34.7366 -13.8599 -13.8599 -13.3622 -13.3622 -13.3596 -13.3596 12.1624 12.1624 12.4028 12.4028 12.4112 12.4112 12.4538 12.4538 12.8269 12.8269 12.8283 12.8283 14.6328 14.6328 14.6599 14.6599 17.9736 17.9736 17.9749 17.9749 k = 0.3736 0.3736 0.3736 ( 2515 PWs) bands (ev): -77.3959 -77.3959 -43.0807 -43.0807 -41.3466 -41.3466 -41.3463 -41.3463 -34.7354 -34.7354 -13.8628 -13.8628 -13.3651 -13.3651 -13.3628 -13.3628 12.1642 12.1642 12.4050 12.4050 12.4474 12.4474 12.4718 12.4718 12.8462 12.8462 12.8473 12.8473 14.5780 14.5780 14.6047 14.6047 18.0387 18.0387 18.0403 18.0403 k = 0.3793 0.3793 0.3793 ( 2521 PWs) bands (ev): -77.3961 -77.3961 -43.0809 -43.0809 -41.3468 -41.3468 -41.3465 -41.3465 -34.7342 -34.7342 -13.8656 -13.8656 -13.3680 -13.3680 -13.3659 -13.3659 12.1676 12.1676 12.3993 12.3993 12.4417 12.4417 12.5377 12.5377 12.8655 12.8655 12.8661 12.8661 14.5242 14.5242 14.5504 14.5504 18.1040 18.1040 18.1057 18.1057 k = 0.3851 0.3851 0.3851 ( 2509 PWs) bands (ev): -77.3955 -77.3955 -43.0809 -43.0809 -41.3467 -41.3467 -41.3466 -41.3466 -34.7330 -34.7330 -13.8683 -13.8683 -13.3707 -13.3707 -13.3688 -13.3688 12.1751 12.1751 12.3947 12.3947 12.4375 12.4375 12.6009 12.6009 12.8852 12.8852 12.8854 12.8854 14.4725 14.4725 14.4981 14.4981 18.1691 18.1691 18.1711 18.1711 k = 0.3908 0.3908 0.3908 ( 2509 PWs) bands (ev): -77.3955 -77.3955 -43.0810 -43.0810 -41.3468 -41.3468 -41.3468 -41.3468 -34.7319 -34.7319 -13.8709 -13.8709 -13.3733 -13.3733 -13.3716 -13.3716 12.1828 12.1828 12.3898 12.3898 12.4331 12.4331 12.6609 12.6609 12.9037 12.9037 12.9048 12.9048 14.4209 14.4209 14.4458 14.4458 18.2335 18.2335 18.2357 18.2357 k = 0.3966 0.3966 0.3966 ( 2515 PWs) bands (ev): -77.3958 -77.3958 -43.0812 -43.0812 -41.3471 -41.3471 -41.3469 -41.3469 -34.7309 -34.7309 -13.8734 -13.8734 -13.3758 -13.3758 -13.3743 -13.3743 12.1903 12.1903 12.3857 12.3857 12.4294 12.4294 12.7168 12.7168 12.9219 12.9219 12.9241 12.9241 14.3705 14.3705 14.3946 14.3946 18.2973 18.2973 18.2996 18.2996 k = 0.4023 0.4023 0.4023 ( 2515 PWs) bands (ev): -77.3958 -77.3958 -43.0813 -43.0813 -41.3472 -41.3472 -41.3471 -41.3471 -34.7299 -34.7299 -13.8758 -13.8758 -13.3782 -13.3782 -13.3769 -13.3769 12.2002 12.2002 12.3821 12.3821 12.4265 12.4265 12.7698 12.7698 12.9401 12.9401 12.9435 12.9435 14.3214 14.3214 14.3446 14.3446 18.3602 18.3602 18.3626 18.3626 k = 0.4080 0.4080 0.4080 ( 2515 PWs) bands (ev): -77.3958 -77.3958 -43.0814 -43.0814 -41.3473 -41.3473 -41.3472 -41.3472 -34.7289 -34.7289 -13.8780 -13.8780 -13.3804 -13.3804 -13.3794 -13.3794 12.2113 12.2113 12.3790 12.3790 12.4242 12.4242 12.8194 12.8194 12.9581 12.9581 12.9629 12.9629 14.2737 14.2737 14.2959 14.2959 18.4218 18.4218 18.4242 18.4242 k = 0.4138 0.4138 0.4138 ( 2515 PWs) bands (ev): -77.3958 -77.3958 -43.0815 -43.0815 -41.3474 -41.3474 -41.3473 -41.3473 -34.7280 -34.7280 -13.8802 -13.8802 -13.3826 -13.3826 -13.3817 -13.3817 12.2234 12.2234 12.3763 12.3763 12.4223 12.4223 12.8654 12.8654 12.9760 12.9760 12.9822 12.9822 14.2274 14.2274 14.2485 14.2485 18.4819 18.4819 18.4843 18.4843 k = 0.4195 0.4195 0.4195 ( 2515 PWs) bands (ev): -77.3958 -77.3958 -43.0816 -43.0816 -41.3475 -41.3475 -41.3474 -41.3474 -34.7271 -34.7271 -13.8822 -13.8822 -13.3846 -13.3846 -13.3838 -13.3838 12.2363 12.2363 12.3740 12.3740 12.4210 12.4210 12.9078 12.9078 12.9938 12.9938 13.0015 13.0015 14.1827 14.1827 14.2025 14.2025 18.5403 18.5403 18.5426 18.5426 k = 0.4253 0.4253 0.4253 ( 2509 PWs) bands (ev): -77.3955 -77.3955 -43.0816 -43.0816 -41.3476 -41.3476 -41.3475 -41.3475 -34.7263 -34.7263 -13.8840 -13.8840 -13.3865 -13.3865 -13.3859 -13.3859 12.2497 12.2497 12.3725 12.3725 12.4205 12.4205 12.9466 12.9466 13.0119 13.0119 13.0209 13.0209 14.1401 14.1401 14.1586 14.1586 18.5966 18.5966 18.5989 18.5989 k = 0.4310 0.4310 0.4310 ( 2515 PWs) bands (ev): -77.3958 -77.3958 -43.0818 -43.0818 -41.3477 -41.3477 -41.3477 -41.3477 -34.7256 -34.7256 -13.8858 -13.8858 -13.3883 -13.3883 -13.3878 -13.3878 12.2631 12.2631 12.3693 12.3693 12.4187 12.4187 12.9815 12.9815 13.0301 13.0301 13.0402 13.0402 14.0992 14.0992 14.1162 14.1162 18.6504 18.6504 18.6525 18.6525 k = 0.4368 0.4368 0.4368 ( 2515 PWs) bands (ev): -77.3958 -77.3958 -43.0819 -43.0819 -41.3478 -41.3478 -41.3477 -41.3477 -34.7249 -34.7249 -13.8874 -13.8874 -13.3900 -13.3900 -13.3895 -13.3895 12.2768 12.2768 12.3679 12.3679 12.4187 12.4187 13.0121 13.0121 13.0485 13.0485 13.0589 13.0589 14.0598 14.0598 14.0753 14.0753 18.7015 18.7015 18.7035 18.7035 k = 0.4425 0.4425 0.4425 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0819 -43.0819 -41.3478 -41.3478 -41.3478 -41.3478 -34.7242 -34.7242 -13.8889 -13.8889 -13.3915 -13.3915 -13.3911 -13.3911 12.2903 12.2903 12.3668 12.3668 12.4190 12.4190 13.0381 13.0381 13.0681 13.0681 13.0775 13.0775 14.0230 14.0230 14.0369 14.0369 18.7497 18.7497 18.7515 18.7515 k = 0.4483 0.4483 0.4483 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0820 -43.0820 -41.3479 -41.3479 -41.3479 -41.3479 -34.7237 -34.7237 -13.8903 -13.8903 -13.3929 -13.3929 -13.3926 -13.3926 12.3033 12.3033 12.3658 12.3658 12.4197 12.4197 13.0593 13.0593 13.0885 13.0885 13.0954 13.0954 13.9880 13.9880 14.0002 14.0002 18.7946 18.7946 18.7961 18.7961 k = 0.4540 0.4540 0.4540 ( 2500 PWs) bands (ev): -77.3951 -77.3951 -43.0819 -43.0819 -41.3479 -41.3479 -41.3478 -41.3478 -34.7231 -34.7231 -13.8915 -13.8915 -13.3941 -13.3941 -13.3939 -13.3939 12.3165 12.3165 12.3661 12.3661 12.4219 12.4219 13.0769 13.0769 13.1089 13.1089 13.1128 13.1128 13.9562 13.9562 13.9667 13.9667 18.8358 18.8358 18.8371 18.8371 k = 0.4598 0.4598 0.4598 ( 2503 PWs) bands (ev): -77.3952 -77.3952 -43.0820 -43.0820 -41.3480 -41.3480 -41.3479 -41.3479 -34.7227 -34.7227 -13.8926 -13.8926 -13.3952 -13.3952 -13.3950 -13.3950 12.3282 12.3282 12.3650 12.3650 12.4229 12.4229 13.0919 13.0919 13.1279 13.1279 13.1291 13.1291 13.9258 13.9258 13.9344 13.9344 18.8730 18.8730 18.8741 18.8741 k = 0.4655 0.4655 0.4655 ( 2503 PWs) bands (ev): -77.3952 -77.3952 -43.0820 -43.0820 -41.3481 -41.3481 -41.3479 -41.3479 -34.7223 -34.7223 -13.8935 -13.8935 -13.3962 -13.3962 -13.3960 -13.3960 12.3380 12.3380 12.3645 12.3645 12.4245 12.4245 13.1048 13.1048 13.1444 13.1444 13.1448 13.1448 13.8990 13.8990 13.9058 13.9058 18.9060 18.9060 18.9068 18.9068 k = 0.4713 0.4713 0.4713 ( 2509 PWs) bands (ev): -77.3955 -77.3955 -43.0822 -43.0822 -41.3481 -41.3481 -41.3481 -41.3481 -34.7219 -34.7219 -13.8943 -13.8943 -13.3970 -13.3970 -13.3969 -13.3969 12.3456 12.3456 12.3640 12.3640 12.4261 12.4261 13.1160 13.1160 13.1582 13.1582 13.1595 13.1595 13.8748 13.8748 13.8798 13.8798 18.9344 18.9344 18.9350 18.9350 k = 0.4770 0.4770 0.4770 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0822 -43.0822 -41.3482 -41.3482 -41.3482 -41.3482 -34.7217 -34.7217 -13.8950 -13.8950 -13.3976 -13.3976 -13.3976 -13.3976 12.3516 12.3516 12.3637 12.3637 12.4277 12.4277 13.1253 13.1253 13.1703 13.1703 13.1716 13.1716 13.8550 13.8550 13.8584 13.8584 18.9580 18.9580 18.9584 18.9584 k = 0.4828 0.4828 0.4828 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7214 -34.7214 -13.8955 -13.8955 -13.3982 -13.3982 -13.3981 -13.3981 12.3568 12.3568 12.3635 12.3635 12.4294 12.4294 13.1327 13.1327 13.1802 13.1802 13.1813 13.1813 13.8391 13.8391 13.8411 13.8411 18.9767 18.9767 18.9769 18.9769 k = 0.4885 0.4885 0.4885 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7213 -34.7213 -13.8958 -13.8958 -13.3985 -13.3985 -13.3985 -13.3985 12.3605 12.3605 12.3634 12.3634 12.4308 12.4308 13.1381 13.1381 13.1877 13.1877 13.1882 13.1882 13.8276 13.8276 13.8285 13.8285 18.9901 18.9901 18.9902 18.9902 k = 0.4943 0.4943 0.4943 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7212 -34.7212 -13.8961 -13.8961 -13.3988 -13.3988 -13.3988 -13.3988 12.3626 12.3626 12.3633 12.3633 12.4318 12.4318 13.1414 13.1414 13.1923 13.1923 13.1924 13.1924 13.8205 13.8205 13.8207 13.8207 18.9982 18.9982 18.9983 18.9983 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7212 -34.7212 -13.8961 -13.8961 -13.3988 -13.3988 -13.3988 -13.3988 12.3633 12.3633 12.3633 12.3633 12.4321 12.4321 13.1425 13.1425 13.1938 13.1938 13.1938 13.1938 13.8181 13.8181 13.8181 13.8181 19.0010 19.0010 19.0010 19.0010 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7212 -34.7212 -13.8961 -13.8961 -13.3988 -13.3988 -13.3988 -13.3988 12.3633 12.3633 12.3633 12.3633 12.4321 12.4321 13.1425 13.1425 13.1938 13.1938 13.1938 13.1938 13.8181 13.8181 13.8181 13.8181 19.0010 19.0010 19.0010 19.0010 k = 0.4930 0.5000 0.4930 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7212 -34.7212 -13.8961 -13.8961 -13.3988 -13.3988 -13.3987 -13.3987 12.3626 12.3626 12.3633 12.3633 12.4318 12.4318 13.1413 13.1413 13.1908 13.1908 13.1939 13.1939 13.8194 13.8194 13.8219 13.8219 18.9969 18.9969 18.9996 18.9996 k = 0.4859 0.5000 0.4859 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7213 -34.7213 -13.8958 -13.8958 -13.3988 -13.3988 -13.3983 -13.3983 12.3606 12.3606 12.3633 12.3633 12.4308 12.4308 13.1370 13.1370 13.1820 13.1820 13.1951 13.1951 13.8230 13.8230 13.8329 13.8329 18.9850 18.9850 18.9954 18.9954 k = 0.4789 0.5000 0.4789 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7214 -34.7214 -13.8955 -13.8955 -13.3986 -13.3986 -13.3977 -13.3977 12.3571 12.3571 12.3633 12.3633 12.4294 12.4294 13.1282 13.1282 13.1678 13.1678 13.1991 13.1991 13.8288 13.8288 13.8506 13.8506 18.9653 18.9653 18.9884 18.9884 k = 0.4718 0.5000 0.4718 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0822 -43.0822 -41.3482 -41.3482 -41.3481 -41.3481 -34.7217 -34.7217 -13.8950 -13.8950 -13.3985 -13.3985 -13.3967 -13.3967 12.3521 12.3521 12.3632 12.3632 12.4276 12.4276 13.1144 13.1144 13.1488 13.1488 13.2068 13.2068 13.8365 13.8365 13.8743 13.8743 18.9382 18.9382 18.9785 18.9785 k = 0.4648 0.5000 0.4648 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0822 -43.0822 -41.3482 -41.3482 -41.3481 -41.3481 -34.7219 -34.7219 -13.8943 -13.8943 -13.3983 -13.3983 -13.3956 -13.3956 12.3457 12.3457 12.3631 12.3631 12.4256 12.4256 13.0959 13.0959 13.1258 13.1258 13.2181 13.2181 13.8457 13.8457 13.9030 13.9030 18.9042 18.9042 18.9658 18.9658 k = 0.4577 0.5000 0.4577 ( 2504 PWs) bands (ev): -77.3953 -77.3953 -43.0821 -43.0821 -41.3481 -41.3481 -41.3479 -41.3479 -34.7223 -34.7223 -13.8935 -13.8935 -13.3981 -13.3981 -13.3941 -13.3941 12.3388 12.3388 12.3635 12.3635 12.4241 12.4241 13.0737 13.0737 13.0996 13.0996 13.2325 13.2325 13.8567 13.8567 13.9365 13.9365 18.8637 18.8637 18.9503 18.9503 k = 0.4507 0.5000 0.4507 ( 2502 PWs) bands (ev): -77.3952 -77.3952 -43.0820 -43.0820 -41.3481 -41.3481 -41.3478 -41.3478 -34.7227 -34.7227 -13.8926 -13.8926 -13.3978 -13.3978 -13.3924 -13.3924 12.3302 12.3302 12.3630 12.3630 12.4219 12.4219 13.0485 13.0485 13.0710 13.0710 13.2495 13.2495 13.8677 13.8677 13.9738 13.9738 18.8174 18.8174 18.9317 18.9317 k = 0.4437 0.5000 0.4437 ( 2504 PWs) bands (ev): -77.3953 -77.3953 -43.0820 -43.0820 -41.3481 -41.3481 -41.3477 -41.3477 -34.7231 -34.7231 -13.8916 -13.8916 -13.3975 -13.3975 -13.3905 -13.3905 12.3195 12.3195 12.3623 12.3623 12.4196 12.4196 13.0205 13.0205 13.0410 13.0410 13.2687 13.2687 13.8796 13.8796 14.0131 14.0131 18.7658 18.7658 18.9102 18.9102 k = 0.4366 0.5000 0.4366 ( 2504 PWs) bands (ev): -77.3953 -77.3953 -43.0819 -43.0819 -41.3480 -41.3480 -41.3476 -41.3476 -34.7237 -34.7237 -13.8904 -13.8904 -13.3971 -13.3971 -13.3883 -13.3883 12.3080 12.3080 12.3614 12.3614 12.4175 12.4175 12.9896 12.9896 13.0106 13.0106 13.2897 13.2897 13.8920 13.8920 14.0549 14.0549 18.7095 18.7095 18.8858 18.8858 k = 0.4296 0.5000 0.4296 ( 2508 PWs) bands (ev): -77.3954 -77.3954 -43.0819 -43.0819 -41.3481 -41.3481 -41.3475 -41.3475 -34.7242 -34.7242 -13.8891 -13.8891 -13.3967 -13.3967 -13.3859 -13.3859 12.2950 12.2950 12.3603 12.3603 12.4156 12.4156 12.9561 12.9561 12.9804 12.9804 13.3121 13.3121 13.9042 13.9042 14.0982 14.0982 18.6491 18.6491 18.8582 18.8582 k = 0.4225 0.5000 0.4225 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0819 -43.0819 -41.3481 -41.3481 -41.3474 -41.3474 -34.7249 -34.7249 -13.8876 -13.8876 -13.3962 -13.3962 -13.3832 -13.3832 12.2819 12.2819 12.3583 12.3583 12.4136 12.4136 12.9208 12.9208 12.9504 12.9504 13.3358 13.3358 13.9163 13.9163 14.1426 14.1426 18.5850 18.5850 18.8277 18.8277 k = 0.4155 0.5000 0.4155 ( 2508 PWs) bands (ev): -77.3954 -77.3954 -43.0817 -43.0817 -41.3480 -41.3480 -41.3473 -41.3473 -34.7255 -34.7255 -13.8861 -13.8861 -13.3957 -13.3957 -13.3803 -13.3803 12.2688 12.2688 12.3555 12.3555 12.4118 12.4118 12.8847 12.8847 12.9215 12.9215 13.3603 13.3603 13.9297 13.9297 14.1896 14.1896 18.5177 18.5177 18.7943 18.7943 k = 0.4085 0.5000 0.4085 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0817 -43.0817 -41.3480 -41.3480 -41.3472 -41.3472 -34.7263 -34.7263 -13.8844 -13.8844 -13.3951 -13.3951 -13.3772 -13.3772 12.2541 12.2541 12.3512 12.3512 12.4097 12.4097 12.8484 12.8484 12.8928 12.8928 13.3854 13.3854 13.9420 13.9420 14.2374 14.2374 18.4477 18.4477 18.7579 18.7579 k = 0.4014 0.5000 0.4014 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0816 -43.0816 -41.3479 -41.3479 -41.3470 -41.3470 -34.7271 -34.7271 -13.8827 -13.8827 -13.3945 -13.3945 -13.3738 -13.3738 12.2397 12.2397 12.3451 12.3451 12.4083 12.4083 12.8128 12.8128 12.8649 12.8649 13.4109 13.4109 13.9541 13.9541 14.2866 14.2866 18.3754 18.3754 18.7187 18.7187 k = 0.3944 0.5000 0.3944 ( 2516 PWs) bands (ev): -77.3958 -77.3958 -43.0816 -43.0816 -41.3480 -41.3480 -41.3468 -41.3468 -34.7279 -34.7279 -13.8809 -13.8809 -13.3938 -13.3938 -13.3702 -13.3702 12.2241 12.2241 12.3367 12.3367 12.4064 12.4064 12.7788 12.7788 12.8376 12.8376 13.4365 13.4365 13.9661 13.9661 14.3366 14.3366 18.3009 18.3009 18.6767 18.6767 k = 0.3873 0.5000 0.3873 ( 2516 PWs) bands (ev): -77.3958 -77.3958 -43.0815 -43.0815 -41.3480 -41.3480 -41.3466 -41.3466 -34.7288 -34.7288 -13.8789 -13.8789 -13.3931 -13.3931 -13.3664 -13.3664 12.2091 12.2091 12.3250 12.3250 12.4059 12.4059 12.7469 12.7469 12.8112 12.8112 13.4620 13.4620 13.9777 13.9777 14.3873 14.3873 18.2249 18.2249 18.6324 18.6324 k = 0.3803 0.5000 0.3803 ( 2516 PWs) bands (ev): -77.3958 -77.3958 -43.0813 -43.0813 -41.3479 -41.3479 -41.3464 -41.3464 -34.7297 -34.7297 -13.8769 -13.8769 -13.3923 -13.3923 -13.3624 -13.3624 12.1940 12.1940 12.3097 12.3097 12.4061 12.4061 12.7178 12.7178 12.7857 12.7857 13.4870 13.4870 13.9891 13.9891 14.4387 14.4387 18.1475 18.1475 18.5859 18.5859 k = 0.3732 0.5000 0.3732 ( 2520 PWs) bands (ev): -77.3960 -77.3960 -43.0813 -43.0813 -41.3479 -41.3479 -41.3462 -41.3462 -34.7307 -34.7307 -13.8749 -13.8749 -13.3914 -13.3914 -13.3582 -13.3582 12.1783 12.1783 12.2905 12.2905 12.4063 12.4063 12.6921 12.6921 12.7612 12.7612 13.5113 13.5113 13.9999 13.9999 14.4903 14.4903 18.0689 18.0689 18.5375 18.5375 k = 0.3662 0.5000 0.3662 ( 2516 PWs) bands (ev): -77.3959 -77.3959 -43.0811 -43.0811 -41.3479 -41.3479 -41.3459 -41.3459 -34.7317 -34.7317 -13.8727 -13.8727 -13.3905 -13.3905 -13.3538 -13.3538 12.1628 12.1628 12.2673 12.2673 12.4077 12.4077 12.6703 12.6703 12.7384 12.7384 13.5348 13.5348 14.0114 14.0114 14.5429 14.5429 17.9894 17.9894 18.4878 18.4878 k = 0.3592 0.5000 0.3592 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0809 -43.0809 -41.3478 -41.3478 -41.3456 -41.3456 -34.7328 -34.7328 -13.8706 -13.8706 -13.3895 -13.3895 -13.3493 -13.3493 12.1470 12.1470 12.2407 12.2407 12.4098 12.4098 12.6515 12.6515 12.7172 12.7172 13.5571 13.5571 14.0224 14.0224 14.5959 14.5959 17.9092 17.9092 18.4370 18.4370 k = 0.3521 0.5000 0.3521 ( 2520 PWs) bands (ev): -77.3961 -77.3961 -43.0809 -43.0809 -41.3478 -41.3478 -41.3455 -41.3455 -34.7339 -34.7339 -13.8683 -13.8683 -13.3885 -13.3885 -13.3445 -13.3445 12.1293 12.1293 12.2106 12.2106 12.4122 12.4122 12.6349 12.6349 12.6975 12.6975 13.5780 13.5780 14.0321 14.0321 14.6482 14.6482 17.8284 17.8284 18.3854 18.3854 k = 0.3451 0.5000 0.3451 ( 2516 PWs) bands (ev): -77.3959 -77.3959 -43.0807 -43.0807 -41.3477 -41.3477 -41.3452 -41.3452 -34.7350 -34.7350 -13.8661 -13.8661 -13.3874 -13.3874 -13.3396 -13.3396 12.1111 12.1111 12.1799 12.1799 12.4153 12.4153 12.6207 12.6207 12.6812 12.6812 13.5973 13.5973 14.0422 14.0422 14.7011 14.7011 17.7472 17.7472 18.3341 18.3341 k = 0.3380 0.5000 0.3380 ( 2528 PWs) bands (ev): -77.3965 -77.3965 -43.0808 -43.0808 -41.3478 -41.3478 -41.3451 -41.3451 -34.7362 -34.7362 -13.8638 -13.8638 -13.3862 -13.3862 -13.3346 -13.3346 12.0882 12.0882 12.1494 12.1494 12.4184 12.4184 12.6060 12.6060 12.6674 12.6674 13.6147 13.6147 14.0513 14.0513 14.7526 14.7526 17.6656 17.6656 18.2827 18.2827 k = 0.3310 0.5000 0.3310 ( 2528 PWs) bands (ev): -77.3965 -77.3965 -43.0806 -43.0806 -41.3478 -41.3478 -41.3449 -41.3449 -34.7374 -34.7374 -13.8615 -13.8615 -13.3850 -13.3850 -13.3294 -13.3294 12.0609 12.0609 12.1227 12.1227 12.4222 12.4222 12.5916 12.5916 12.6586 12.6586 13.6300 13.6300 14.0610 14.0610 14.8053 14.8053 17.5839 17.5839 18.2325 18.2325 k = 0.3239 0.5000 0.3239 ( 2524 PWs) bands (ev): -77.3963 -77.3963 -43.0805 -43.0805 -41.3477 -41.3477 -41.3445 -41.3445 -34.7386 -34.7386 -13.8592 -13.8592 -13.3837 -13.3837 -13.3240 -13.3240 12.0278 12.0278 12.1009 12.1009 12.4265 12.4265 12.5772 12.5772 12.6540 12.6540 13.6431 13.6431 14.0707 14.0707 14.8583 14.8583 17.5022 17.5022 18.1841 18.1841 k = 0.3169 0.5000 0.3169 ( 2528 PWs) bands (ev): -77.3965 -77.3965 -43.0804 -43.0804 -41.3477 -41.3477 -41.3443 -41.3443 -34.7398 -34.7398 -13.8568 -13.8568 -13.3823 -13.3823 -13.3185 -13.3185 11.9902 11.9902 12.0822 12.0822 12.4306 12.4306 12.5616 12.5616 12.6524 12.6524 13.6537 13.6537 14.0796 14.0796 14.9099 14.9099 17.4204 17.4204 18.1373 18.1373 k = 0.3099 0.5000 0.3099 ( 2524 PWs) bands (ev): -77.3964 -77.3964 -43.0802 -43.0802 -41.3476 -41.3476 -41.3440 -41.3440 -34.7411 -34.7411 -13.8545 -13.8545 -13.3809 -13.3809 -13.3129 -13.3129 11.9505 11.9505 12.0656 12.0656 12.4354 12.4354 12.5471 12.5471 12.6539 12.6539 13.6618 13.6618 14.0896 14.0896 14.9619 14.9619 17.3389 17.3389 18.0931 18.0931 k = 0.3028 0.5000 0.3028 ( 2516 PWs) bands (ev): -77.3961 -77.3961 -43.0799 -43.0799 -41.3474 -41.3474 -41.3437 -41.3437 -34.7424 -34.7424 -13.8522 -13.8522 -13.3794 -13.3794 -13.3072 -13.3072 11.9094 11.9094 12.0509 12.0509 12.4398 12.4398 12.5340 12.5340 12.6579 12.6579 13.6671 13.6671 14.0989 14.0989 15.0142 15.0142 17.2575 17.2575 18.0521 18.0521 k = 0.2958 0.5000 0.2958 ( 2528 PWs) bands (ev): -77.3966 -77.3966 -43.0799 -43.0799 -41.3475 -41.3475 -41.3435 -41.3435 -34.7437 -34.7437 -13.8500 -13.8500 -13.3778 -13.3778 -13.3015 -13.3015 11.8673 11.8673 12.0342 12.0342 12.4425 12.4425 12.5215 12.5215 12.6631 12.6631 13.6696 13.6696 14.1074 14.1074 15.0645 15.0645 17.1760 17.1760 18.0131 18.0131 k = 0.2887 0.5000 0.2887 ( 2528 PWs) bands (ev): -77.3967 -77.3967 -43.0798 -43.0798 -41.3475 -41.3475 -41.3432 -41.3432 -34.7450 -34.7450 -13.8477 -13.8477 -13.3761 -13.3761 -13.2956 -13.2956 11.8253 11.8253 12.0192 12.0192 12.4439 12.4439 12.5125 12.5125 12.6705 12.6705 13.6692 13.6692 14.1164 14.1164 15.1151 15.1151 17.0950 17.0950 17.9782 17.9782 k = 0.2817 0.5000 0.2817 ( 2526 PWs) bands (ev): -77.3966 -77.3966 -43.0796 -43.0796 -41.3474 -41.3474 -41.3429 -41.3429 -34.7463 -34.7463 -13.8456 -13.8456 -13.3744 -13.3744 -13.2896 -13.2896 11.7833 11.7833 12.0045 12.0045 12.4427 12.4427 12.5075 12.5075 12.6797 12.6797 13.6661 13.6661 14.1255 14.1255 15.1651 15.1651 17.0144 17.0144 17.9470 17.9470 k = 0.2746 0.5000 0.2746 ( 2530 PWs) bands (ev): -77.3968 -77.3968 -43.0795 -43.0795 -41.3474 -41.3474 -41.3427 -41.3427 -34.7477 -34.7477 -13.8434 -13.8434 -13.3726 -13.3726 -13.2836 -13.2836 11.7416 11.7416 11.9897 11.9897 12.4381 12.4381 12.5069 12.5069 12.6893 12.6893 13.6601 13.6601 14.1335 14.1335 15.2144 15.2144 16.9342 16.9342 17.9195 17.9195 k = 0.2676 0.5000 0.2676 ( 2530 PWs) bands (ev): -77.3969 -77.3969 -43.0794 -43.0794 -41.3474 -41.3474 -41.3424 -41.3424 -34.7490 -34.7490 -13.8413 -13.8413 -13.3707 -13.3707 -13.2776 -13.2776 11.7005 11.7005 11.9748 11.9748 12.4311 12.4311 12.5103 12.5103 12.7008 12.7008 13.6513 13.6513 14.1421 14.1421 15.2631 15.2631 16.8544 16.8544 17.8959 17.8959 k = 0.2606 0.5000 0.2606 ( 2534 PWs) bands (ev): -77.3971 -77.3971 -43.0793 -43.0793 -41.3474 -41.3474 -41.3421 -41.3421 -34.7504 -34.7504 -13.8393 -13.8393 -13.3688 -13.3688 -13.2715 -13.2715 11.6600 11.6600 11.9596 11.9596 12.4220 12.4220 12.5161 12.5161 12.7135 12.7135 13.6398 13.6398 14.1504 14.1504 15.3105 15.3105 16.7750 16.7750 17.8762 17.8762 k = 0.2535 0.5000 0.2535 ( 2534 PWs) bands (ev): -77.3971 -77.3971 -43.0791 -43.0791 -41.3473 -41.3473 -41.3418 -41.3418 -34.7517 -34.7517 -13.8373 -13.8373 -13.3668 -13.3668 -13.2653 -13.2653 11.6202 11.6202 11.9443 11.9443 12.4129 12.4129 12.5243 12.5243 12.7274 12.7274 13.6260 13.6260 14.1589 14.1589 15.3576 15.3576 16.6962 16.6962 17.8603 17.8603 k = 0.2465 0.5000 0.2465 ( 2534 PWs) bands (ev): -77.3971 -77.3971 -43.0790 -43.0790 -41.3473 -41.3473 -41.3415 -41.3415 -34.7531 -34.7531 -13.8355 -13.8355 -13.3647 -13.3647 -13.2592 -13.2592 11.5813 11.5813 11.9288 11.9288 12.4037 12.4037 12.5338 12.5338 12.7425 12.7425 13.6100 13.6100 14.1674 14.1674 15.4038 15.4038 16.6181 16.6181 17.8482 17.8482 k = 0.2394 0.5000 0.2394 ( 2534 PWs) bands (ev): -77.3972 -77.3972 -43.0788 -43.0788 -41.3473 -41.3473 -41.3412 -41.3412 -34.7544 -34.7544 -13.8336 -13.8336 -13.3626 -13.3626 -13.2531 -13.2531 11.5432 11.5432 11.9129 11.9129 12.3948 12.3948 12.5445 12.5445 12.7586 12.7586 13.5919 13.5919 14.1757 14.1757 15.4490 15.4490 16.5406 16.5406 17.8396 17.8396 k = 0.2324 0.5000 0.2324 ( 2538 PWs) bands (ev): -77.3974 -77.3974 -43.0787 -43.0787 -41.3472 -41.3472 -41.3409 -41.3409 -34.7558 -34.7558 -13.8319 -13.8319 -13.3604 -13.3604 -13.2469 -13.2469 11.5061 11.5061 11.8967 11.8967 12.3856 12.3856 12.5560 12.5560 12.7758 12.7758 13.5719 13.5719 14.1835 14.1835 15.4928 15.4928 16.4637 16.4637 17.8343 17.8343 k = 0.2254 0.5000 0.2254 ( 2532 PWs) bands (ev): -77.3971 -77.3971 -43.0785 -43.0785 -41.3471 -41.3471 -41.3406 -41.3406 -34.7571 -34.7571 -13.8303 -13.8303 -13.3582 -13.3582 -13.2408 -13.2408 11.4700 11.4700 11.8804 11.8804 12.3781 12.3781 12.5688 12.5688 12.7946 12.7946 13.5507 13.5507 14.1924 14.1924 15.5362 15.5362 16.3876 16.3876 17.8323 17.8323 k = 0.2183 0.5000 0.2183 ( 2536 PWs) bands (ev): -77.3973 -77.3973 -43.0784 -43.0784 -41.3472 -41.3472 -41.3403 -41.3403 -34.7584 -34.7584 -13.8287 -13.8287 -13.3560 -13.3560 -13.2347 -13.2347 11.4347 11.4347 11.8630 11.8630 12.3706 12.3706 12.5821 12.5821 12.8138 12.8138 13.5276 13.5276 14.1999 14.1999 15.5782 15.5782 16.3122 16.3122 17.8326 17.8326 k = 0.2113 0.5000 0.2113 ( 2536 PWs) bands (ev): -77.3974 -77.3974 -43.0783 -43.0783 -41.3471 -41.3471 -41.3400 -41.3400 -34.7598 -34.7598 -13.8272 -13.8272 -13.3537 -13.3537 -13.2287 -13.2287 11.4006 11.4006 11.8456 11.8456 12.3636 12.3636 12.5961 12.5961 12.8341 12.8341 13.5040 13.5040 14.2080 14.2080 15.6191 15.6191 16.2377 16.2377 17.8358 17.8358 k = 0.2042 0.5000 0.2042 ( 2532 PWs) bands (ev): -77.3972 -77.3972 -43.0781 -43.0781 -41.3471 -41.3471 -41.3396 -41.3396 -34.7610 -34.7610 -13.8258 -13.8258 -13.3513 -13.3513 -13.2227 -13.2227 11.3677 11.3677 11.8283 11.8283 12.3573 12.3573 12.6110 12.6110 12.8557 12.8557 13.4799 13.4799 14.2161 14.2161 15.6588 15.6588 16.1641 16.1641 17.8414 17.8414 k = 0.1972 0.5000 0.1972 ( 2528 PWs) bands (ev): -77.3970 -77.3970 -43.0779 -43.0779 -41.3470 -41.3470 -41.3393 -41.3393 -34.7623 -34.7623 -13.8245 -13.8245 -13.3489 -13.3489 -13.2168 -13.2168 11.3358 11.3358 11.8100 11.8100 12.3516 12.3516 12.6264 12.6264 12.8789 12.8789 13.4553 13.4553 14.2249 14.2249 15.6973 15.6973 16.0913 16.0913 17.8485 17.8485 k = 0.1901 0.5000 0.1901 ( 2536 PWs) bands (ev): -77.3974 -77.3974 -43.0778 -43.0778 -41.3470 -41.3470 -41.3391 -41.3391 -34.7636 -34.7636 -13.8233 -13.8233 -13.3466 -13.3466 -13.2110 -13.2110 11.3049 11.3049 11.7909 11.7909 12.3460 12.3460 12.6425 12.6425 12.9007 12.9007 13.4302 13.4302 14.2315 14.2315 15.7343 15.7343 16.0195 16.0195 17.8561 17.8561 k = 0.1831 0.5000 0.1831 ( 2532 PWs) bands (ev): -77.3973 -77.3973 -43.0776 -43.0776 -41.3469 -41.3469 -41.3388 -41.3388 -34.7648 -34.7648 -13.8222 -13.8222 -13.3442 -13.3442 -13.2052 -13.2052 11.2752 11.2752 11.7717 11.7717 12.3412 12.3412 12.6601 12.6601 12.9252 12.9252 13.4055 13.4055 14.2394 14.2394 15.7702 15.7702 15.9490 15.9490 17.8052 17.8052 k = 0.1761 0.5000 0.1761 ( 2532 PWs) bands (ev): -77.3973 -77.3973 -43.0775 -43.0775 -41.3469 -41.3469 -41.3385 -41.3385 -34.7660 -34.7660 -13.8211 -13.8211 -13.3418 -13.3418 -13.1996 -13.1996 11.2467 11.2467 11.7520 11.7520 12.3369 12.3369 12.6775 12.6775 12.9501 12.9501 13.3810 13.3810 14.2472 14.2472 15.8047 15.8047 15.8793 15.8793 17.7105 17.7105 k = 0.1690 0.5000 0.1690 ( 2514 PWs) bands (ev): -77.3965 -77.3965 -43.0771 -43.0771 -41.3467 -41.3467 -41.3380 -41.3380 -34.7671 -34.7671 -13.8202 -13.8202 -13.3394 -13.3394 -13.1941 -13.1941 11.2197 11.2197 11.7326 11.7326 12.3344 12.3344 12.6964 12.6964 12.9770 12.9770 13.3577 13.3577 14.2568 14.2568 15.8110 15.8110 15.8386 15.8386 17.6173 17.6173 k = 0.1620 0.5000 0.1620 ( 2522 PWs) bands (ev): -77.3969 -77.3969 -43.0771 -43.0771 -41.3467 -41.3467 -41.3379 -41.3379 -34.7683 -34.7683 -13.8193 -13.8193 -13.3370 -13.3370 -13.1887 -13.1887 11.1933 11.1933 11.7121 11.7121 12.3296 12.3296 12.7144 12.7144 13.0030 13.0030 13.3342 13.3342 14.2637 14.2637 15.7436 15.7436 15.8700 15.8700 17.5250 17.5250 k = 0.1549 0.5000 0.1549 ( 2530 PWs) bands (ev): -77.3973 -77.3973 -43.0771 -43.0771 -41.3468 -41.3468 -41.3377 -41.3377 -34.7694 -34.7694 -13.8185 -13.8185 -13.3346 -13.3346 -13.1835 -13.1835 11.1680 11.1680 11.6914 11.6914 12.3258 12.3258 12.7318 12.7318 13.0291 13.0291 13.3116 13.3116 14.2713 14.2713 15.6774 15.6774 15.9003 15.9003 17.4342 17.4342 k = 0.1479 0.5000 0.1479 ( 2530 PWs) bands (ev): -77.3973 -77.3973 -43.0770 -43.0770 -41.3468 -41.3468 -41.3374 -41.3374 -34.7705 -34.7705 -13.8178 -13.8178 -13.3322 -13.3322 -13.1784 -13.1784 11.1440 11.1440 11.6706 11.6706 12.3232 12.3232 12.7511 12.7511 13.0563 13.0563 13.2905 13.2905 14.2790 14.2790 15.6127 15.6127 15.9293 15.9293 17.3452 17.3452 k = 0.1408 0.5000 0.1408 ( 2534 PWs) bands (ev): -77.3975 -77.3975 -43.0769 -43.0769 -41.3468 -41.3468 -41.3372 -41.3372 -34.7715 -34.7715 -13.8171 -13.8171 -13.3299 -13.3299 -13.1734 -13.1734 11.1210 11.1210 11.6497 11.6497 12.3209 12.3209 12.7699 12.7699 13.0833 13.0833 13.2705 13.2705 14.2867 14.2867 15.5493 15.5493 15.9568 15.9568 17.2580 17.2580 k = 0.1338 0.5000 0.1338 ( 2530 PWs) bands (ev): -77.3973 -77.3973 -43.0767 -43.0767 -41.3467 -41.3467 -41.3369 -41.3369 -34.7725 -34.7725 -13.8166 -13.8166 -13.3277 -13.3277 -13.1687 -13.1687 11.0992 11.0992 11.6289 11.6289 12.3197 12.3197 12.7900 12.7900 13.1107 13.1107 13.2524 13.2524 14.2949 14.2949 15.4877 15.4877 15.9830 15.9830 17.1728 17.1728 k = 0.1268 0.5000 0.1268 ( 2530 PWs) bands (ev): -77.3974 -77.3974 -43.0766 -43.0766 -41.3467 -41.3467 -41.3367 -41.3367 -34.7735 -34.7735 -13.8160 -13.8160 -13.3254 -13.3254 -13.1641 -13.1641 11.0786 11.0786 11.6082 11.6082 12.3181 12.3181 12.8103 12.8103 13.1372 13.1372 13.2363 13.2363 14.3026 14.3026 15.4277 15.4277 16.0077 16.0077 17.0898 17.0898 k = 0.1197 0.5000 0.1197 ( 2530 PWs) bands (ev): -77.3974 -77.3974 -43.0765 -43.0765 -41.3467 -41.3467 -41.3365 -41.3365 -34.7744 -34.7744 -13.8156 -13.8156 -13.3233 -13.3233 -13.1597 -13.1597 11.0592 11.0592 11.5877 11.5877 12.3168 12.3168 12.8307 12.8307 13.1608 13.1608 13.2245 13.2245 14.3103 14.3103 15.3695 15.3695 16.0310 16.0310 17.0090 17.0090 k = 0.1127 0.5000 0.1127 ( 2530 PWs) bands (ev): -77.3974 -77.3974 -43.0764 -43.0764 -41.3467 -41.3467 -41.3363 -41.3363 -34.7752 -34.7752 -13.8152 -13.8152 -13.3212 -13.3212 -13.1555 -13.1555 11.0408 11.0408 11.5676 11.5676 12.3158 12.3158 12.8511 12.8511 13.1743 13.1743 13.2239 13.2239 14.3181 14.3181 15.3131 15.3131 16.0529 16.0529 16.9307 16.9307 k = 0.1056 0.5000 0.1056 ( 2532 PWs) bands (ev): -77.3975 -77.3975 -43.0763 -43.0763 -41.3467 -41.3467 -41.3361 -41.3361 -34.7761 -34.7761 -13.8148 -13.8148 -13.3192 -13.3192 -13.1515 -13.1515 11.0236 11.0236 11.5480 11.5480 12.3137 12.3137 12.8708 12.8708 13.1719 13.1719 13.2411 13.2411 14.3266 14.3266 15.2587 15.2587 16.0732 16.0732 16.8551 16.8551 k = 0.0986 0.5000 0.0986 ( 2532 PWs) bands (ev): -77.3975 -77.3975 -43.0762 -43.0762 -41.3467 -41.3467 -41.3359 -41.3359 -34.7769 -34.7769 -13.8145 -13.8145 -13.3173 -13.3173 -13.1477 -13.1477 11.0075 11.0075 11.5290 11.5290 12.3130 12.3130 12.8909 12.8909 13.1627 13.1627 13.2651 13.2651 14.3342 14.3342 15.2065 15.2065 16.0922 16.0922 16.7823 16.7823 k = 0.0915 0.5000 0.0915 ( 2528 PWs) bands (ev): -77.3973 -77.3973 -43.0761 -43.0761 -41.3466 -41.3466 -41.3357 -41.3357 -34.7776 -34.7776 -13.8143 -13.8143 -13.3155 -13.3155 -13.1442 -13.1442 10.9926 10.9926 11.5108 11.5108 12.3130 12.3130 12.9108 12.9108 13.1532 13.1532 13.2910 13.2910 14.3419 14.3419 15.1568 15.1568 16.1100 16.1100 16.7127 16.7127 k = 0.0845 0.5000 0.0845 ( 2524 PWs) bands (ev): -77.3971 -77.3971 -43.0760 -43.0760 -41.3465 -41.3465 -41.3355 -41.3355 -34.7783 -34.7783 -13.8141 -13.8141 -13.3137 -13.3137 -13.1408 -13.1408 10.9790 10.9790 11.4933 11.4933 12.3127 12.3127 12.9304 12.9304 13.1440 13.1440 13.3167 13.3167 14.3502 14.3502 15.1095 15.1095 16.1263 16.1263 16.6464 16.6464 k = 0.0775 0.5000 0.0775 ( 2536 PWs) bands (ev): -77.3977 -77.3977 -43.0760 -43.0760 -41.3466 -41.3466 -41.3355 -41.3355 -34.7789 -34.7789 -13.8139 -13.8139 -13.3121 -13.3121 -13.1378 -13.1378 10.9662 10.9662 11.4767 11.4767 12.3108 12.3108 12.9480 12.9480 13.1335 13.1335 13.3414 13.3414 14.3573 14.3573 15.0647 15.0647 16.1410 16.1410 16.5836 16.5836 k = 0.0704 0.5000 0.0704 ( 2528 PWs) bands (ev): -77.3973 -77.3973 -43.0759 -43.0759 -41.3466 -41.3466 -41.3352 -41.3352 -34.7795 -34.7795 -13.8137 -13.8137 -13.3106 -13.3106 -13.1349 -13.1349 10.9546 10.9546 11.4613 11.4613 12.3113 12.3113 12.9654 12.9654 13.1266 13.1266 13.3667 13.3667 14.3657 14.3657 15.0229 15.0229 16.1545 16.1545 16.5249 16.5249 k = 0.0634 0.5000 0.0634 ( 2538 PWs) bands (ev): -77.3978 -77.3978 -43.0759 -43.0759 -41.3466 -41.3466 -41.3352 -41.3352 -34.7800 -34.7800 -13.8136 -13.8136 -13.3093 -13.3093 -13.1323 -13.1323 10.9441 10.9441 11.4469 11.4469 12.3100 12.3100 12.9812 12.9812 13.1190 13.1190 13.3883 13.3883 14.3719 14.3719 14.9841 14.9841 16.1667 16.1667 16.4702 16.4702 k = 0.0563 0.5000 0.0563 ( 2538 PWs) bands (ev): -77.3978 -77.3978 -43.0759 -43.0759 -41.3466 -41.3466 -41.3351 -41.3351 -34.7805 -34.7805 -13.8135 -13.8135 -13.3080 -13.3080 -13.1300 -13.1300 10.9348 10.9348 11.4338 11.4338 12.3100 12.3100 12.9956 12.9956 13.1141 13.1141 13.4093 13.4093 14.3788 14.3788 14.9487 14.9487 16.1774 16.1774 16.4203 16.4203 k = 0.0493 0.5000 0.0493 ( 2546 PWs) bands (ev): -77.3982 -77.3982 -43.0759 -43.0759 -41.3467 -41.3467 -41.3351 -41.3351 -34.7809 -34.7809 -13.8134 -13.8134 -13.3069 -13.3069 -13.1279 -13.1279 10.9264 10.9264 11.4221 11.4221 12.3096 12.3096 13.0068 13.0068 13.1102 13.1102 13.4275 13.4275 14.3847 14.3847 14.9167 14.9167 16.1868 16.1868 16.3752 16.3752 k = 0.0423 0.5000 0.0423 ( 2546 PWs) bands (ev): -77.3982 -77.3982 -43.0759 -43.0759 -41.3467 -41.3467 -41.3350 -41.3350 -34.7813 -34.7813 -13.8133 -13.8133 -13.3059 -13.3059 -13.1262 -13.1262 10.9192 10.9192 11.4118 11.4118 12.3097 12.3097 13.0172 13.0172 13.1083 13.1083 13.4446 13.4446 14.3907 14.3907 14.8884 14.8884 16.1948 16.1948 16.3354 16.3354 k = 0.0352 0.5000 0.0352 ( 2546 PWs) bands (ev): -77.3982 -77.3982 -43.0759 -43.0759 -41.3467 -41.3467 -41.3349 -41.3349 -34.7816 -34.7816 -13.8133 -13.8133 -13.3051 -13.3051 -13.1246 -13.1246 10.9132 10.9132 11.4029 11.4029 12.3098 12.3098 13.0253 13.0253 13.1078 13.1078 13.4595 13.4595 14.3961 14.3961 14.8641 14.8641 16.2012 16.2012 16.3014 16.3014 k = 0.0282 0.5000 0.0282 ( 2542 PWs) bands (ev): -77.3980 -77.3980 -43.0758 -43.0758 -41.3466 -41.3466 -41.3348 -41.3348 -34.7819 -34.7819 -13.8132 -13.8132 -13.3044 -13.3044 -13.1234 -13.1234 10.9082 10.9082 11.3956 11.3956 12.3100 12.3100 13.0315 13.0315 13.1092 13.1092 13.4725 13.4725 14.4008 14.4008 14.8438 14.8438 16.2060 16.2060 16.2736 16.2736 k = 0.0211 0.5000 0.0211 ( 2548 PWs) bands (ev): -77.3983 -77.3983 -43.0758 -43.0758 -41.3467 -41.3467 -41.3348 -41.3348 -34.7821 -34.7821 -13.8132 -13.8132 -13.3039 -13.3039 -13.1224 -13.1224 10.9042 10.9042 11.3899 11.3899 12.3091 12.3091 13.0347 13.0347 13.1095 13.1095 13.4828 13.4828 14.4043 14.4043 14.8279 14.8279 16.2086 16.2086 16.2526 16.2526 k = 0.0141 0.5000 0.0141 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3468 -41.3468 -41.3349 -41.3349 -34.7822 -34.7822 -13.8132 -13.8132 -13.3035 -13.3035 -13.1217 -13.1217 10.9014 10.9014 11.3857 11.3857 12.3079 12.3079 13.0361 13.0361 13.1098 13.1098 13.4885 13.4885 14.4063 14.4063 14.8163 14.8163 16.2086 16.2086 16.2394 16.2394 k = 0.0070 0.5000 0.0070 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3468 -41.3468 -41.3349 -41.3349 -34.7823 -34.7823 -13.8132 -13.8132 -13.3033 -13.3033 -13.1213 -13.1213 10.8998 10.8998 11.3832 11.3832 12.3079 12.3079 13.0373 13.0373 13.1109 13.1109 13.4928 13.4928 14.4079 14.4079 14.8094 14.8094 16.2065 16.2065 16.2335 16.2335 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -77.3989 -77.3989 -43.0760 -43.0760 -41.3468 -41.3468 -41.3349 -41.3349 -34.7823 -34.7823 -13.8132 -13.8132 -13.3032 -13.3032 -13.1211 -13.1211 10.8992 10.8992 11.3824 11.3824 12.3079 12.3079 13.0377 13.0377 13.1114 13.1114 13.4942 13.4942 14.4085 14.4085 14.8071 14.8071 16.2052 16.2052 16.2321 16.2321 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -77.3975 -77.3975 -43.0792 -43.0792 -41.3499 -41.3499 -41.3391 -41.3391 -34.7530 -34.7530 -13.8572 -13.8572 -13.4331 -13.4331 -13.1653 -13.1653 10.7668 10.7668 11.3620 11.3620 12.4801 12.4801 12.5346 12.5346 13.7915 13.7915 14.4116 14.4116 15.2465 15.2465 15.2568 15.2568 16.3993 16.3993 17.9321 17.9321 k = 0.5000 0.5000 0.0100 ( 2536 PWs) bands (ev): -77.3972 -77.3972 -43.0791 -43.0791 -41.3499 -41.3499 -41.3390 -41.3390 -34.7529 -34.7529 -13.8572 -13.8572 -13.4331 -13.4331 -13.1656 -13.1656 10.7684 10.7684 11.3632 11.3632 12.4809 12.4809 12.5354 12.5354 13.7917 13.7917 14.4127 14.4127 15.2427 15.2427 15.2531 15.2531 16.4007 16.4007 17.9373 17.9373 k = 0.5000 0.5000 0.0200 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0789 -43.0789 -41.3496 -41.3496 -41.3389 -41.3389 -34.7528 -34.7528 -13.8572 -13.8572 -13.4330 -13.4330 -13.1664 -13.1664 10.7733 10.7733 11.3678 11.3678 12.4812 12.4812 12.5356 12.5356 13.7936 13.7936 14.4130 14.4130 15.2315 15.2315 15.2420 15.2420 16.4062 16.4062 17.9524 17.9524 k = 0.5000 0.5000 0.0300 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0789 -43.0789 -41.3496 -41.3496 -41.3390 -41.3390 -34.7527 -34.7527 -13.8573 -13.8573 -13.4328 -13.4328 -13.1677 -13.1677 10.7806 10.7806 11.3734 11.3734 12.4801 12.4801 12.5345 12.5345 13.7938 13.7938 14.4129 14.4129 15.2131 15.2131 15.2238 15.2238 16.4132 16.4132 17.9762 17.9762 k = 0.5000 0.5000 0.0400 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0789 -43.0789 -41.3496 -41.3496 -41.3390 -41.3390 -34.7525 -34.7525 -13.8574 -13.8574 -13.4326 -13.4326 -13.1695 -13.1695 10.7909 10.7909 11.3812 11.3812 12.4787 12.4787 12.5330 12.5330 13.7939 13.7939 14.4129 14.4129 15.1878 15.1878 15.1989 15.1989 16.4229 16.4229 18.0091 18.0093 k = 0.5000 0.5000 0.0500 ( 2520 PWs) bands (ev): -77.3965 -77.3965 -43.0790 -43.0790 -41.3496 -41.3496 -41.3391 -41.3391 -34.7522 -34.7522 -13.8575 -13.8575 -13.4323 -13.4323 -13.1718 -13.1718 10.8040 10.8040 11.3912 11.3912 12.4769 12.4769 12.5312 12.5312 13.7941 13.7941 14.4128 14.4128 15.1563 15.1563 15.1678 15.1678 16.4355 16.4355 18.0504 18.0504 k = 0.5000 0.5000 0.0600 ( 2528 PWs) bands (ev): -77.3968 -77.3968 -43.0791 -43.0791 -41.3496 -41.3496 -41.3394 -41.3394 -34.7519 -34.7519 -13.8576 -13.8576 -13.4319 -13.4319 -13.1747 -13.1747 10.8198 10.8198 11.4033 11.4033 12.4743 12.4743 12.5285 12.5285 13.7944 13.7944 14.4099 14.4099 15.1191 15.1191 15.1310 15.1310 16.4509 16.4509 18.0994 18.0994 k = 0.5000 0.5000 0.0700 ( 2520 PWs) bands (ev): -77.3964 -77.3964 -43.0790 -43.0790 -41.3496 -41.3496 -41.3393 -41.3393 -34.7515 -34.7515 -13.8578 -13.8578 -13.4315 -13.4315 -13.1780 -13.1780 10.8391 10.8391 11.4175 11.4175 12.4721 12.4721 12.5262 12.5262 13.7948 13.7948 14.4125 14.4125 15.0768 15.0768 15.0892 15.0892 16.4692 16.4692 18.1561 18.1561 k = 0.5000 0.5000 0.0800 ( 2528 PWs) bands (ev): -77.3968 -77.3968 -43.0792 -43.0792 -41.3496 -41.3496 -41.3396 -41.3396 -34.7510 -34.7510 -13.8580 -13.8580 -13.4310 -13.4310 -13.1817 -13.1817 10.8608 10.8608 11.4335 11.4335 12.4683 12.4683 12.5222 12.5222 13.7948 13.7948 14.4116 14.4116 15.0300 15.0300 15.0429 15.0429 16.4900 16.4900 18.2187 18.2189 k = 0.5000 0.5000 0.0900 ( 2528 PWs) bands (ev): -77.3968 -77.3968 -43.0792 -43.0792 -41.3496 -41.3496 -41.3397 -41.3397 -34.7505 -34.7505 -13.8583 -13.8583 -13.4305 -13.4305 -13.1859 -13.1859 10.8854 10.8854 11.4515 11.4515 12.4651 12.4651 12.5189 12.5189 13.7952 13.7952 14.4111 14.4111 14.9794 14.9794 14.9929 14.9929 16.5141 16.5141 18.2878 18.2879 k = 0.5000 0.5000 0.1000 ( 2528 PWs) bands (ev): -77.3968 -77.3968 -43.0793 -43.0793 -41.3496 -41.3496 -41.3399 -41.3399 -34.7499 -34.7499 -13.8586 -13.8586 -13.4299 -13.4299 -13.1906 -13.1906 10.9128 10.9128 11.4714 11.4714 12.4616 12.4616 12.5152 12.5152 13.7957 13.7957 14.4104 14.4104 14.9256 14.9256 14.9396 14.9396 16.5410 16.5410 18.3626 18.3630 k = 0.5000 0.5000 0.1100 ( 2528 PWs) bands (ev): -77.3968 -77.3968 -43.0794 -43.0794 -41.3495 -41.3495 -41.3401 -41.3401 -34.7493 -34.7493 -13.8589 -13.8589 -13.4292 -13.4292 -13.1956 -13.1956 10.9430 10.9430 11.4930 11.4930 12.4578 12.4578 12.5112 12.5112 13.7962 13.7962 14.4095 14.4095 14.8691 14.8691 14.8837 14.8837 16.5708 16.5708 18.4422 18.4422 k = 0.5000 0.5000 0.1200 ( 2536 PWs) bands (ev): -77.3971 -77.3971 -43.0796 -43.0796 -41.3496 -41.3496 -41.3404 -41.3404 -34.7487 -34.7487 -13.8592 -13.8592 -13.4285 -13.4285 -13.2010 -13.2010 10.9757 10.9757 11.5162 11.5162 12.4530 12.4530 12.5063 12.5063 13.7948 13.7948 14.4084 14.4084 14.8104 14.8104 14.8255 14.8255 16.6036 16.6036 18.5259 18.5259 k = 0.5000 0.5000 0.1300 ( 2536 PWs) bands (ev): -77.3971 -77.3971 -43.0796 -43.0796 -41.3496 -41.3496 -41.3406 -41.3406 -34.7480 -34.7480 -13.8596 -13.8596 -13.4277 -13.4277 -13.2068 -13.2068 11.0113 11.0113 11.5410 11.5410 12.4488 12.4488 12.5018 12.5018 13.7953 13.7953 14.4070 14.4070 14.7501 14.7501 14.7657 14.7657 16.6394 16.6394 18.6140 18.6141 k = 0.5000 0.5000 0.1400 ( 2532 PWs) bands (ev): -77.3969 -77.3969 -43.0797 -43.0797 -41.3495 -41.3495 -41.3408 -41.3408 -34.7472 -34.7472 -13.8601 -13.8601 -13.4269 -13.4269 -13.2129 -13.2129 11.0497 11.0497 11.5676 11.5676 12.4446 12.4446 12.4974 12.4974 13.7965 13.7965 14.4048 14.4048 14.6885 14.6885 14.7045 14.7045 16.6785 16.6785 18.7060 18.7070 k = 0.5000 0.5000 0.1500 ( 2524 PWs) bands (ev): -77.3965 -77.3965 -43.0796 -43.0796 -41.3494 -41.3494 -41.3409 -41.3409 -34.7464 -34.7464 -13.8606 -13.8606 -13.4261 -13.4261 -13.2192 -13.2192 11.0907 11.0907 11.5950 11.5950 12.4408 12.4408 12.4934 12.4934 13.7974 13.7974 14.4039 14.4039 14.6261 14.6261 14.6424 14.6424 16.7202 16.7202 18.8011 18.8013 k = 0.5000 0.5000 0.1600 ( 2524 PWs) bands (ev): -77.3965 -77.3965 -43.0797 -43.0797 -41.3494 -41.3494 -41.3411 -41.3411 -34.7456 -34.7456 -13.8612 -13.8612 -13.4252 -13.4252 -13.2259 -13.2259 11.1341 11.1341 11.6236 11.6236 12.4361 12.4361 12.4884 12.4884 13.7981 13.7981 14.4010 14.4010 14.5635 14.5635 14.5796 14.5796 16.7650 16.7650 18.8976 18.8980 k = 0.5000 0.5000 0.1700 ( 2524 PWs) bands (ev): -77.3965 -77.3965 -43.0798 -43.0798 -41.3493 -41.3493 -41.3414 -41.3414 -34.7448 -34.7448 -13.8618 -13.8618 -13.4243 -13.4243 -13.2327 -13.2327 11.1800 11.1800 11.6531 11.6531 12.4312 12.4312 12.4833 12.4833 13.7988 13.7988 14.3968 14.3968 14.5014 14.5014 14.5165 14.5165 16.8128 16.8128 18.9379 18.9379 k = 0.5000 0.5000 0.1800 ( 2524 PWs) bands (ev): -77.3965 -77.3965 -43.0799 -43.0799 -41.3493 -41.3493 -41.3417 -41.3417 -34.7439 -34.7439 -13.8625 -13.8625 -13.4233 -13.4233 -13.2397 -13.2397 11.2283 11.2283 11.6835 11.6835 12.4264 12.4264 12.4781 12.4781 13.7995 13.7995 14.3882 14.3882 14.4431 14.4431 14.4533 14.4533 16.8636 16.8636 18.9409 18.9410 k = 0.5000 0.5000 0.1900 ( 2524 PWs) bands (ev): -77.3965 -77.3965 -43.0800 -43.0800 -41.3492 -41.3492 -41.3419 -41.3419 -34.7430 -34.7430 -13.8632 -13.8632 -13.4223 -13.4223 -13.2469 -13.2469 11.2789 11.2789 11.7146 11.7146 12.4215 12.4215 12.4730 12.4730 13.8002 13.8002 14.3570 14.3570 14.3902 14.3902 14.4071 14.4071 16.9174 16.9174 18.9435 18.9435 k = 0.5000 0.5000 0.2000 ( 2528 PWs) bands (ev): -77.3966 -77.3966 -43.0802 -43.0802 -41.3492 -41.3492 -41.3422 -41.3422 -34.7420 -34.7420 -13.8640 -13.8640 -13.4213 -13.4213 -13.2543 -13.2543 11.3321 11.3321 11.7459 11.7459 12.4159 12.4159 12.4671 12.4671 13.8002 13.8002 14.3005 14.3005 14.3273 14.3273 14.3974 14.3974 16.9740 16.9740 18.9461 18.9461 k = 0.5000 0.5000 0.2100 ( 2520 PWs) bands (ev): -77.3963 -77.3963 -43.0802 -43.0802 -41.3491 -41.3491 -41.3424 -41.3424 -34.7411 -34.7411 -13.8649 -13.8649 -13.4203 -13.4203 -13.2617 -13.2617 11.3872 11.3872 11.7781 11.7781 12.4121 12.4121 12.4630 12.4630 13.8019 13.8019 14.2395 14.2395 14.2651 14.2651 14.3909 14.3909 17.0338 17.0338 18.9486 18.9486 k = 0.5000 0.5000 0.2200 ( 2520 PWs) bands (ev): -77.3962 -77.3962 -43.0803 -43.0803 -41.3491 -41.3491 -41.3427 -41.3427 -34.7401 -34.7401 -13.8658 -13.8658 -13.4192 -13.4192 -13.2692 -13.2692 11.4445 11.4445 11.8105 11.8105 12.4074 12.4074 12.4580 12.4580 13.8027 13.8027 14.1781 14.1781 14.2036 14.2036 14.3847 14.3847 17.0965 17.0965 18.9512 18.9512 k = 0.5000 0.5000 0.2300 ( 2520 PWs) bands (ev): -77.3962 -77.3962 -43.0804 -43.0804 -41.3490 -41.3490 -41.3430 -41.3430 -34.7391 -34.7391 -13.8668 -13.8668 -13.4182 -13.4182 -13.2766 -13.2766 11.5038 11.5038 11.8430 11.8430 12.4028 12.4028 12.4530 12.4530 13.8034 13.8034 14.1172 14.1172 14.1430 14.1430 14.3781 14.3781 17.1621 17.1621 18.9538 18.9538 k = 0.5000 0.5000 0.2400 ( 2520 PWs) bands (ev): -77.3962 -77.3962 -43.0805 -43.0805 -41.3490 -41.3490 -41.3433 -41.3433 -34.7381 -34.7381 -13.8678 -13.8678 -13.4171 -13.4171 -13.2841 -13.2841 11.5651 11.5651 11.8755 11.8755 12.3983 12.3983 12.4482 12.4482 13.8042 13.8042 14.0571 14.0571 14.0833 14.0833 14.3709 14.3709 17.2305 17.2305 18.9564 18.9564 k = 0.5000 0.5000 0.2500 ( 2528 PWs) bands (ev): -77.3965 -77.3965 -43.0807 -43.0807 -41.3491 -41.3491 -41.3437 -41.3437 -34.7371 -34.7371 -13.8690 -13.8690 -13.4160 -13.4160 -13.2916 -13.2916 11.6279 11.6279 11.9069 11.9069 12.3939 12.3939 12.4434 12.4434 13.8037 13.8037 13.9981 13.9981 14.0248 14.0248 14.3623 14.3623 17.3010 17.3010 18.9590 18.9590 k = 0.5000 0.5000 0.2600 ( 2512 PWs) bands (ev): -77.3958 -77.3958 -43.0806 -43.0806 -41.3489 -41.3489 -41.3437 -41.3437 -34.7361 -34.7361 -13.8701 -13.8701 -13.4150 -13.4150 -13.2989 -13.2989 11.6928 11.6928 11.9394 11.9394 12.3919 12.3919 12.4410 12.4410 13.8048 13.8048 13.9404 13.9404 13.9678 13.9678 14.3541 14.3541 17.3749 17.3749 18.9616 18.9616 k = 0.5000 0.5000 0.2700 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0807 -43.0807 -41.3488 -41.3488 -41.3440 -41.3440 -34.7351 -34.7351 -13.8714 -13.8714 -13.4139 -13.4139 -13.3062 -13.3062 11.7591 11.7591 11.9710 11.9710 12.3882 12.3882 12.4368 12.4368 13.8052 13.8052 13.8838 13.8838 13.9122 13.9122 14.3441 14.3441 17.4511 17.4511 18.9643 18.9643 k = 0.5000 0.5000 0.2800 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0808 -43.0808 -41.3488 -41.3488 -41.3443 -41.3443 -34.7341 -34.7341 -13.8727 -13.8727 -13.4128 -13.4128 -13.3133 -13.3133 11.8269 11.8269 12.0020 12.0020 12.3848 12.3848 12.4330 12.4330 13.8046 13.8046 13.8287 13.8287 13.8590 13.8590 14.3329 14.3329 17.5296 17.5296 18.9669 18.9669 k = 0.5000 0.5000 0.2900 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0809 -43.0809 -41.3488 -41.3488 -41.3446 -41.3446 -34.7331 -34.7331 -13.8740 -13.8740 -13.4118 -13.4118 -13.3203 -13.3203 11.8961 11.8961 12.0324 12.0324 12.3818 12.3818 12.4294 12.4294 13.7750 13.7750 13.7936 13.7936 13.8175 13.8175 14.3208 14.3208 17.6101 17.6101 18.9694 18.9694 k = 0.5000 0.5000 0.3000 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0810 -43.0810 -41.3487 -41.3487 -41.3449 -41.3449 -34.7322 -34.7322 -13.8754 -13.8754 -13.4107 -13.4107 -13.3271 -13.3271 11.9662 11.9662 12.0620 12.0620 12.3793 12.3793 12.4262 12.4262 13.7230 13.7230 13.7494 13.7494 13.8111 13.8111 14.3070 14.3070 17.6926 17.6926 18.9719 18.9719 k = 0.5000 0.5000 0.3100 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0811 -43.0811 -41.3487 -41.3487 -41.3452 -41.3452 -34.7312 -34.7312 -13.8768 -13.8768 -13.4097 -13.4097 -13.3337 -13.3337 12.0370 12.0370 12.0907 12.0907 12.3773 12.3773 12.4233 12.4233 13.6728 13.6728 13.7007 13.7007 13.8109 13.8109 14.2918 14.2918 17.7767 17.7767 18.9744 18.9744 k = 0.5000 0.5000 0.3200 ( 2516 PWs) bands (ev): -77.3959 -77.3959 -43.0813 -43.0813 -41.3487 -41.3487 -41.3455 -41.3455 -34.7303 -34.7303 -13.8782 -13.8782 -13.4087 -13.4087 -13.3400 -13.3400 12.1084 12.1084 12.1183 12.1183 12.3754 12.3754 12.4200 12.4200 13.6243 13.6243 13.6531 13.6531 13.8112 13.8112 14.2748 14.2748 17.8622 17.8622 18.9768 18.9768 k = 0.5000 0.5000 0.3300 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0813 -43.0813 -41.3486 -41.3486 -41.3458 -41.3458 -34.7294 -34.7294 -13.8797 -13.8797 -13.4078 -13.4078 -13.3461 -13.3461 12.1455 12.1455 12.1793 12.1793 12.3760 12.3760 12.4181 12.4181 13.5779 13.5779 13.6073 13.6073 13.8117 13.8117 14.2564 14.2564 17.9489 17.9489 18.9792 18.9792 k = 0.5000 0.5000 0.3400 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0814 -43.0814 -41.3485 -41.3485 -41.3460 -41.3460 -34.7286 -34.7286 -13.8811 -13.8811 -13.4068 -13.4068 -13.3519 -13.3519 12.1709 12.1709 12.2477 12.2477 12.3795 12.3795 12.4164 12.4164 13.5333 13.5333 13.5634 13.5634 13.8123 13.8123 14.2363 14.2363 18.0361 18.0361 18.9814 18.9814 k = 0.5000 0.5000 0.3500 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0815 -43.0815 -41.3485 -41.3485 -41.3463 -41.3463 -34.7277 -34.7277 -13.8826 -13.8826 -13.4059 -13.4059 -13.3574 -13.3574 12.1950 12.1950 12.3066 12.3066 12.3931 12.3931 12.4151 12.4151 13.4909 13.4909 13.5214 13.5214 13.8130 13.8130 14.2146 14.2146 18.1234 18.1234 18.9836 18.9836 k = 0.5000 0.5000 0.3600 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0816 -43.0816 -41.3485 -41.3485 -41.3465 -41.3465 -34.7269 -34.7269 -13.8840 -13.8840 -13.4051 -13.4051 -13.3626 -13.3626 12.2177 12.2177 12.3390 12.3390 12.4143 12.4143 12.4335 12.4335 13.4506 13.4506 13.4816 13.4816 13.8136 13.8136 14.1912 14.1912 18.2105 18.2105 18.9857 18.9857 k = 0.5000 0.5000 0.3700 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0817 -43.0817 -41.3484 -41.3484 -41.3467 -41.3467 -34.7262 -34.7262 -13.8855 -13.8855 -13.4043 -13.4043 -13.3675 -13.3675 12.2389 12.2389 12.3494 12.3494 12.4139 12.4139 12.4962 12.4962 13.4126 13.4126 13.4440 13.4440 13.8142 13.8142 14.1661 14.1661 18.2968 18.2968 18.9877 18.9877 k = 0.5000 0.5000 0.3800 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0818 -43.0818 -41.3484 -41.3484 -41.3470 -41.3470 -34.7255 -34.7255 -13.8868 -13.8868 -13.4035 -13.4035 -13.3721 -13.3721 12.2585 12.2585 12.3532 12.3532 12.4140 12.4140 12.5652 12.5652 13.3769 13.3769 13.4087 13.4087 13.8149 13.8149 14.1392 14.1392 18.3817 18.3817 18.9895 18.9895 k = 0.5000 0.5000 0.3900 ( 2520 PWs) bands (ev): -77.3960 -77.3960 -43.0820 -43.0820 -41.3484 -41.3484 -41.3472 -41.3472 -34.7248 -34.7248 -13.8882 -13.8882 -13.4028 -13.4028 -13.3763 -13.3763 12.2764 12.2764 12.3544 12.3544 12.4140 12.4140 12.6354 12.6354 13.3435 13.3435 13.3757 13.3757 13.8135 13.8135 14.1106 14.1106 18.4644 18.4644 18.9913 18.9913 k = 0.5000 0.5000 0.4000 ( 2504 PWs) bands (ev): -77.3952 -77.3952 -43.0818 -43.0818 -41.3483 -41.3483 -41.3472 -41.3472 -34.7242 -34.7242 -13.8894 -13.8894 -13.4021 -13.4021 -13.3802 -13.3802 12.2934 12.2934 12.3576 12.3576 12.4168 12.4168 12.7054 12.7054 13.3128 13.3128 13.3453 13.3453 13.8154 13.8154 14.0807 14.0807 18.5445 18.5445 18.9929 18.9929 k = 0.5000 0.5000 0.4100 ( 2504 PWs) bands (ev): -77.3952 -77.3952 -43.0819 -43.0819 -41.3483 -41.3483 -41.3474 -41.3474 -34.7236 -34.7236 -13.8906 -13.8906 -13.4015 -13.4015 -13.3837 -13.3837 12.3072 12.3072 12.3588 12.3588 12.4181 12.4181 12.7743 12.7743 13.2847 13.2847 13.3174 13.3174 13.8163 13.8163 14.0497 14.0497 18.6207 18.6207 18.9944 18.9944 k = 0.5000 0.5000 0.4200 ( 2504 PWs) bands (ev): -77.3952 -77.3952 -43.0819 -43.0819 -41.3483 -41.3483 -41.3475 -41.3475 -34.7231 -34.7231 -13.8917 -13.8917 -13.4010 -13.4010 -13.3868 -13.3868 12.3200 12.3200 12.3598 12.3598 12.4198 12.4198 12.8410 12.8410 13.2593 13.2593 13.2921 13.2921 13.8167 13.8167 14.0171 14.0171 18.6927 18.6927 18.9957 18.9957 k = 0.5000 0.5000 0.4300 ( 2508 PWs) bands (ev): -77.3954 -77.3954 -43.0821 -43.0821 -41.3483 -41.3483 -41.3477 -41.3477 -34.7227 -34.7227 -13.8927 -13.8927 -13.4005 -13.4005 -13.3896 -13.3896 12.3307 12.3307 12.3602 12.3602 12.4213 12.4213 12.9050 12.9050 13.2367 13.2367 13.2695 13.2695 13.8170 13.8170 13.9838 13.9838 18.7592 18.7592 18.9969 18.9969 k = 0.5000 0.5000 0.4400 ( 2504 PWs) bands (ev): -77.3953 -77.3953 -43.0821 -43.0821 -41.3483 -41.3483 -41.3477 -41.3477 -34.7223 -34.7223 -13.8936 -13.8936 -13.4001 -13.4001 -13.3921 -13.3921 12.3400 12.3400 12.3611 12.3611 12.4235 12.4235 12.9656 12.9656 13.2172 13.2172 13.2497 13.2497 13.8173 13.8173 13.9521 13.9521 18.8195 18.8195 18.9980 18.9980 k = 0.5000 0.5000 0.4500 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0822 -43.0822 -41.3483 -41.3483 -41.3480 -41.3480 -34.7219 -34.7219 -13.8943 -13.8943 -13.3997 -13.3997 -13.3941 -13.3941 12.3474 12.3474 12.3612 12.3612 12.4252 12.4252 13.0208 13.0208 13.2009 13.2009 13.2328 13.2328 13.8175 13.8175 13.9175 13.9175 18.8725 18.8725 18.9989 18.9989 k = 0.5000 0.5000 0.4600 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0822 -43.0822 -41.3483 -41.3483 -41.3481 -41.3481 -34.7217 -34.7217 -13.8950 -13.8950 -13.3994 -13.3994 -13.3958 -13.3958 12.3534 12.3534 12.3619 12.3619 12.4274 12.4274 13.0694 13.0694 13.1885 13.1885 13.2189 13.2189 13.8177 13.8177 13.8866 13.8866 18.9174 18.9174 18.9996 18.9996 k = 0.5000 0.5000 0.4700 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0823 -43.0823 -41.3483 -41.3483 -41.3482 -41.3482 -34.7214 -34.7214 -13.8955 -13.8955 -13.3991 -13.3991 -13.3971 -13.3971 12.3578 12.3578 12.3625 12.3625 12.4293 12.4293 13.1083 13.1083 13.1812 13.1812 13.2079 13.2079 13.8179 13.8179 13.8593 13.8593 18.9534 18.9534 19.0002 19.0002 k = 0.5000 0.5000 0.4800 ( 2512 PWs) bands (ev): -77.3956 -77.3956 -43.0823 -43.0823 -41.3483 -41.3483 -41.3482 -41.3482 -34.7213 -34.7213 -13.8958 -13.8958 -13.3990 -13.3990 -13.3981 -13.3981 12.3609 12.3609 12.3629 12.3629 12.4308 12.4308 13.1325 13.1325 13.1820 13.1820 13.2001 13.2001 13.8180 13.8180 13.8374 13.8374 18.9796 18.9796 19.0006 19.0006 k = 0.5000 0.5000 0.4900 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7212 -34.7212 -13.8961 -13.8961 -13.3989 -13.3989 -13.3987 -13.3987 12.3627 12.3627 12.3632 12.3632 12.4318 12.4318 13.1410 13.1410 13.1896 13.1896 13.1954 13.1954 13.8181 13.8181 13.8231 13.8231 18.9956 18.9956 19.0009 19.0009 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -77.3957 -77.3957 -43.0823 -43.0823 -41.3482 -41.3482 -41.3482 -41.3482 -34.7212 -34.7212 -13.8961 -13.8961 -13.3988 -13.3988 -13.3988 -13.3988 12.3633 12.3633 12.3633 12.3633 12.4321 12.4321 13.1425 13.1425 13.1938 13.1938 13.1938 13.1938 13.8181 13.8181 13.8181 13.8181 19.0009 19.0010 19.0010 19.0010 Writing output data file ScCo.save init_run : 0.15s CPU 0.56s WALL ( 1 calls) electrons : 59.67s CPU 61.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.18s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 59.66s CPU 61.91s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 385 calls) cegterg : 54.87s CPU 55.95s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 26.98s CPU 28.38s WALL ( 6395 calls) s_psi : 0.93s CPU 0.92s WALL ( 6395 calls) g_psi : 0.12s CPU 0.10s WALL ( 5607 calls) cdiaghg : 25.19s CPU 24.91s WALL ( 5992 calls) cegterg:over : 2.29s CPU 2.19s WALL ( 5607 calls) cegterg:upda : 1.30s CPU 1.43s WALL ( 5607 calls) cegterg:last : 0.87s CPU 0.98s WALL ( 1182 calls) cdiaghg:chol : 1.31s CPU 1.28s WALL ( 5992 calls) cdiaghg:inve : 0.62s CPU 0.64s WALL ( 5992 calls) cdiaghg:para : 1.36s CPU 1.47s WALL ( 11984 calls) Called by h_psi: h_psi:vloc : 23.82s CPU 25.02s WALL ( 6395 calls) h_psi:vnl : 3.10s CPU 3.32s WALL ( 6395 calls) add_vuspsi : 1.61s CPU 1.81s WALL ( 6395 calls) General routines calbec : 1.48s CPU 1.49s WALL ( 6395 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 22.27s CPU 23.40s WALL ( 542876 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.13s WALL ( 770 calls) Parallel routines fft_scatter : 10.95s CPU 11.61s WALL ( 542899 calls) PWSCF : 1m10.24s CPU 1m26.95s WALL This run was terminated on: 17:21:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=